*HEADER    TOXIN                                   23-JUN-05   2A2V              
*TITLE     THE SOLUTION STRUCTURE OF JINGZHAOTOXIN-XI                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: JINGZHAOTOXIN-XI;                                          
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CHILOBRACHYS JINGZHAO;                          
*SOURCE   3 ORGANISM_COMMON: CHINESE SPIDER;                                     
*SOURCE   4 SECRETION: VENOM                                                     
*KEYWDS    ICK MOTIF, NEUROTOXIN SPIDER                                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Z.LIAO, S.P.LIANG                                                     
*REVDAT   1   05-JUL-05 2A2V    0                                                

!E1
assign (resid 1 and name HA)(resid 1 and name HB#) 2.7 0.9 1.0
assign (resid 1 and name HA)(resid 1 and name HG#) 3.5 1.7 1.0
assign (resid 1 and name HB#)(resid 1 and name HG#) 2.7 0.9 1.0

!C2
assign (resid 2 and name HN)(resid 2 and name HA) 3.5 1.7 0.0
assign (resid 2 and name HN)(resid 2 and name HB#) 3.5 1.7 1.0
assign (resid 2 and name HN)(resid 1 and name HA) 2.7 0.9 0.0
assign (resid 2 and name HN)(resid 1 and name HB#) 3.5 1.7 1.0
assign (resid 2 and name HN)(resid 1 and name HG#) 5.0 3.2 1.0

assign (resid 2 and name HA)(resid 2 and name HB#) 2.7 0.9 1.0
assign (resid 2 and name HB#)(resid 3 and name HB#) 5.0 3.2 2.0
assign (resid 2 and name HB#)(resid 16 and name HB#) 2.7 0.9 2.0

!R3
assign (resid 3 and name HN)(resid 2 and name HA) 2.7 0.9 0.0
assign (resid 3 and name HN)(resid 15 and name HA) 2.7 0.9 0.0
assign (resid 3 and name HN)(resid 3 and name HA) 3.5 1.7 0.0
assign (resid 3 and name HN)(resid 2 and name HB#) 2.7 0.9 1.0
assign (resid 3 and name HN)(resid 3 and name HG#) 3.5 1.7 1.0
assign (resid 3 and name HN)(resid 3 and name HB#) 2.7 0.9 1.0
assign (resid 3 and name HN)(resid 3 and name HD#) 5.0 3.2 1.0
assign (resid 3 and name HN)(resid 16 and name HN) 5.0 3.2 0.0

assign (resid 3 and name HA)(resid 15 and name HB#) 5.0 3.2 1.0
assign (resid 3 and name HA)(resid 3 and name HB#) 2.7 0.9 1.0
assign (resid 3 and name HA)(resid 3 and name HG#) 2.7 0.9 1.0
assign (resid 3 and name HA)(resid 3 and name HD#) 3.5 1.7 1.0
assign (resid 3 and name HA)(resid 7 and name HA#) 5.0 3.2 1.0

assign (resid 3 and name HH1#)(resid 3 and name HH2#) 3.5 1.7 2.0
assign (resid 3 and name HH1#)(resid 3 and name HA) 6.0 4.2 1.0
assign (resid 3 and name HH1#)(resid 3 and name HD#) 3.5 1.7 2.0
assign (resid 3 and name HH1#)(resid 3 and name HB#) 5.0 3.2 2.0
assign (resid 3 and name HH1#)(resid 3 and name HG#) 3.5 1.7 2.0

!K4
assign (resid 4 and name HN)(resid 3 and name HA) 2.7 0.9 0.0
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 HA#) 5.0 3.2 1.0 
assign (resid 4 and name HN)(resid 3 and name HB#) 3.5 1.7 1.0
assign (resid 4 and name HN)(resid 3 and name HD#) 5.0 3.2 1.0
assign (resid 4 and name HN)(resid 4 and name HG#) 3.5 1.7 1.0
assign (resid 4 and name HN)(resid 4 and name HB#) 2.7 0.9 1.0
assign (resid 4 and name HN)(resid 3 and name HG#) 5.0 3.2 1.0
assign (resid 4 and name HN)(resid 7 and name HN) 5.0 3.2 0.0

assign (resid 4 and name HA)(resid 4 and name HB#) 3.7 1.5 1.0
assign (resid 4 and name HA)(resid 4 and name HG#) 3.5 1.7 1.0
assign (resid 4 and name HA)(resid 16 and name HB#) 3.5 1.7 1.0
assign (resid 4 and name HA)(resid 19 and name HD#) 5.0 3.2 2.4

!M5
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 1.0
assign (resid 5 and name HN)(resid 19 and name HD#) 3.5 1.7 2.4
assign (resid 5 and name HN)(resid 5 and name HA) 3.5 1.7 0.0
assign (resid 5 and name HN)(resid 4 and name HA) 2.7 0.9 0.0
assign (resid 5 and name HN)(resid 6 and name HN) 5.0 3.2 0.0
assign (resid 5 and name HN)(resid 4 and name HG#) 5.0 3.2 1.0
assign (resid 5 and name HN)(resid 4 and name HB#) 2.7 0.9 1.0

assign (resid 5 and name HA)(resid 5 and name HB#) 3.5 1.7 1.0
assign (resid 5 and name HA)(resid 5 and name HG#) 3.5 1.7 1.0
assign (resid 5 and name HA)(resid 28 and name HB#) 3.5 1.7 1.0
assign (resid 5 and name HA)(resid 19 and name HD#) 5.0 3.2 2.4

!F6
assign (resid 6 and name HN)(resid 5 and name HG#) 5.0 3.2 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 19 and name HD#) 5.0 3.2 2.4 
assign (resid 6 and name HN)(resid 28 and name HB#) 5.0 3.2 1.0
assign (resid 6 and name HN)(resid 6 and name HB#) 5.0 3.2 1.0
assign (resid 6 and name HN)(resid 5 and name HA) 2.7 0.9 0.0
assign (resid 6 and name HN)(resid 6 and name HA) 2.7 0.9 0.0
assign (resid 6 and name HN)(resid 6 and name HD#) 5.0 3.2 2.4 
assign (resid 6 and name HN)(resid 27 and name HD#) 3.5 1.7 2.4
assign (resid 6 and name HN)(resid 28 and name HN) 5.0 3.2 0.0

assign (resid 6 and name HA)(resid 6 and name HB#) 3.5 1.7 1.0

assign (resid 6 and name HE#)(resid 6 and name HD#) 2.7 0.9 4.8
assign (resid 6 and name HE#)(resid 6 and name HA) 5.0 3.2 2.4
assign (resid 6 and name HE#)(resid 6 and name HB#) 5.0 3.2 3.4
assign (resid 6 and name HE#)(resid 5 and name HG#) 3.5 1.7 3.4
assign (resid 6 and name HE#)(resid 5 and name HB#) 5.0 3.2 3.4
assign (resid 6 and name HE#)(resid 19 and name HD#) 5.0 3.2 4.8
assign (resid 6 and name HE#)(resid 29 and name HB#) 5.0 3.2 3.4

assign (resid 6 and name HD#)(resid 27 and name HB#) 5.0 3.2 3.4
assign (resid 6 and name HD#)(resid 6 and name HB#) 2.7 0.9 3.4
assign (resid 6 and name HD#)(resid 6 and name HA) 2.7 0.9 2.4
assign (resid 6 and name HD#)(resid 5 and name HG#) 5.0 3.2 3.4
assign (resid 6 and name HD#)(resid 5 and name HB#) 5.0 3.2 3.4


!G7
assign (resid 7 and name HN)(resid 7 and name HA#) 2.7 0.9 1.0
assign (resid 7 and name HN)(resid 28 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 3 and name HG#) 5.0 3.2 1.0

assign (resid 7 and name HA#)(resid 3 and name HB#) 5.0 3.2 2.0

!G8
assign (resid 8 and name HN)(resid 9 and name HN) 5.0 3.2 0.0
assign (resid 8 and name HN)(resid 27 and name HA) 5.0 3.2 0.0
assign (resid 8 and name HN)(resid 8 and name HA#) 2.7 0.9 1.0
assign (resid 8 and name HN)(resid 7 and name HA#) 2.7 0.9 1.0
assign (resid 8 and name HN)(resid 3 and name HD#) 5.0 3.2 1.0

assign (resid 8 and name HA#)(resid 27 and name HB#) 3.5 1.7 2.0

!C9
assign (resid 9 and name HN)(resid 27 and name HA) 2.7 0.9 0.0
assign (resid 9 and name HN)(resid 27 and name HB#) 5.0 3.2 1.0
assign (resid 9 and name HN)(resid 27 and name HN) 5.0 3.2 0.0
assign (resid 9 and name HN)(resid 9 and name HA) 5.0 3.2 0.0
assign (resid 9 and name HN)(resid 9 and name HB#) 2.7 0.9 1.0
assign (resid 9 and name HN)(resid 8 and name HA#) 2.7 0.9 1.0
assign (resid 9 and name HN)(resid 26 and name HB#) 3.5 1.7 1.0

assign (resid 9 and name HA)(resid 9 and name HB#) 2.7 0.9 1.0
assign (resid 9 and name HA)(resid 14 and name HB#) 3.5 1.7 1.0
assign (resid 9 and name HB#)(resid 21 and name HB#) 2.7 0.9 2.0

!S10
assign (resid 10 and name HN)(resid 11 and name HN) 2.7 0.9 0.0
assign (resid 10 and name HN)(resid 9 and name HN) 5.0 3.2 0.0
assign (resid 10 and name HN)(resid 9 and name HA) 2.7 0.9 0.0
assign (resid 10 and name HN)(resid 10 and name HA) 3.5 1.7 0.0
assign (resid 10 and name HN)(resid 10 and name HB#) 2.7 0.9 1.0
assign (resid 10 and name HN)(resid 9 and name HB#) 2.7 0.9 1.0
assign (resid 10 and name HN)(resid 14 and name HB#) 5.0 3.2 1.0
assign (resid 10 and name HN)(resid 11 and name HG#) 5.0 3.2 2.4
assign (resid 10 and name HN)(resid 21 and name HB#) 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 HB#)(resid 11 and name HG#) 3.5 1.7 3.4

!V11
assign (resid 11 and name HN)(resid 11 and name HA) 5.0 3.2 0.0
assign (resid 11 and name HN)(resid 10 and name HA) 5.0 3.2 0.0
assign (resid 11 and name HN)(resid 10 and name HB#) 2.7 0.9 1.0
assign (resid 11 and name HN)(resid 11 and name HG#) 3.5 1.7 2.4
assign (resid 11 and name HN)(resid 11 and name HB) 5.0 3.2 0.0

assign (resid 11 and name HA)(resid 11 and name HB) 3.5 1.7 0.0
assign (resid 11 and name HA)(resid 11 and name HG#) 5.0 3.2 2.4

!D12
assign (resid 12 and name HN)(resid 13 and name HN) 3.5 1.7 0.0
assign (resid 12 and name HN)(resid 11 and name HN) 5.0 3.2 0.0
assign (resid 12 and name HN)(resid 11 and name HA) 3.5 1.7 0.0
assign (resid 12 and name HN)(resid 12 and name HA) 2.7 0.9 0.0
assign (resid 12 and name HN)(resid 12 and name HB#) 2.7 0.9 1.0
assign (resid 12 and name HN)(resid 11 and name HB) 3.5 1.7 0.0
assign (resid 12 and name HN)(resid 11 and name HG#) 5.0 3.2 2.4

assign (resid 12 and name HA)(resid 12 and name HB#) 2.7 0.9 1.0
assign (resid 12 and name HA)(resid 21 and name HB#) 2.7 0.9 1.0

!S13
assign (resid 13 and name HN)(resid 12 and name HA) 3.5 1.7 0.0
assign (resid 13 and name HN)(resid 12 and name HB#) 2.7 0.9 1.0
assign (resid 13 and name HN)(resid 11 and name HG#) 3.5 1.7 2.4
assign (resid 13 and name HN)(resid 11 and name HA) 5.0 3.2 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 13 and name HA) 3.5 1.7 0.0
assign (resid 13 and name HN)(resid 14 and name HN) 3.5 1.7 0.0

assign (resid 13 and name HB#)(resid 11 and name HG#) 5.0 3.2 3.4
assign (resid 13 and name HA)(resid 13 and name HB#) 3.5 1.7 1.0
assign (resid 13 and name HA)(resid 12 and name HB#) 5.0 3.2 1.0


!D14
assign (resid 14 and name HN)(resid 13 and name HB#) 5.0 3.2 1.0
assign (resid 14 and name HN)(resid 14 and name HB#) 2.7 0.9 1.0
assign (resid 14 and name HN)(resid 13 and name HA) 3.5 1.7 0.0

assign (resid 14 and name HA)(resid 14 and name HB#) 3.5 1.7 1.0

!C15
assign (resid 15 and name HN)(resid 15 and name HB#) 2.7 0.9 1.0
assign (resid 15 and name HN)(resid 13 and name HA) 3.5 1.7 0.0
assign (resid 15 and name HN)(resid 14 and name HA) 3.5 1.7 0.0
assign (resid 15 and name HN)(resid 14 and name HB#) 5.0 3.2 1.0
assign (resid 15 and name HN)(resid 15 and name HA) 3.5 1.7 0.0
assign (resid 15 and name HN)(resid 14 and name HN) 3.5 1.7 0.0
assign (resid 15 and name HN)(resid 16 and name HN) 5.0 3.2 0.0

assign (resid 15 and name HA)(resid 15 and name HB#) 3.5 1.7 1.0
assign (resid 15 and name HA)(resid 3 and name HB#) 2.7 0.9 1.0
assign (resid 15 and name HA)(resid 3 and name HG#) 5.0 3.2 1.0
assign (resid 15 and name HA)(resid 16 and name HB#) 5.0 3.2 1.0
assign (resid 15 and name HA)(resid 19 and name HB#) 3.5 1.7 1.0

!c16
assign (resid 16 and name HN)(resid 15 and name HA) 2.7 0.9 0.0
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#) 3.5 1.7 1.0
assign (resid 16 and name HN)(resid 15 and name HB#) 3.5 1.7 1.0
assign (resid 16 and name HN)(resid 19 and name HB#) 5.0 3.2 1.0
assign (resid 16 and name HN)(resid 19 and name HD#) 3.5 1.7 2.4
assign (resid 16 and name HN)(resid 3 and name HB#) 5.0 3.2 1.0
assign (resid 16 and name HN)(resid 17 and name HN) 5.0 3.2 0.0

assign (resid 16 and name HA)(resid 16 and name HB#) 2.7 0.9 1.0
assign (resid 16 and name HA)(resid 2 and name HB#) 2.7 0.9 1.0

!A17
assign (resid 17 and name HN)(resid 16 and name HB#) 2.7 0.9 1.0
assign (resid 17 and name HN)(resid 17 and name HA) 2.7 0.9 0.0
assign (resid 17 and name HN)(resid 16 and name HA) 2.7 0.9 0.0
assign (resid 17 and name HN)(resid 17 and name HB#) 2.7 0.9 1.0
assign (resid 17 and name HN)(resid 18 and name HN) 5.0 3.2 0.0


!H18
assign (resid 18 and name HN)(resid 19 and name HN) 2.7 0.9 0.0
assign (resid 18 and name HN)(resid 18 and name HA) 2.7 0.9 0.0
assign (resid 18 and name HN)(resid 17 and name HA) 2.7 0.9 0.0
assign (resid 18 and name HN)(resid 18 and name HB#) 5.0 3.2 1.0
assign (resid 18 and name HN)(resid 17 and name HB#) 5.0 3.2 1.0
assign (resid 18 and name HN)(resid 19 and name HB#) 5.0 3.2 1.0

assign (resid 18 and name HA)(resid 18 and name HB#) 3.5 1.7 1.0
assign (resid 18 and name HA)(resid 19 and name HD#) 5.0 3.2 2.4

assign (resid 18 and name HD2)(resid 18 and name HA) 5.0 3.2 0.0
assign (resid 18 and name HD2)(resid 18 and name HB#) 3.5 1.7 1.0
assign (resid 18 and name HD2)(resid 17 and name HB#) 3.5 1.7 1.0

!L19
assign (resid 19 and name HN)(resid 19 and name HA) 5.0 3.2 0.0
assign (resid 19 and name HN)(resid 18 and name HA) 3.5 1.7 0.0
assign (resid 19 and name HN)(resid 17 and name HA) 5.0 3.2 0.0
assign (resid 19 and name HN)(resid 18 and name HB#) 5.0 3.2 1.0
assign (resid 19 and name HN)(resid 15 and name HB#) 5.0 3.2 1.0
assign (resid 19 and name HN)(resid 19 and name HB#) 2.7 0.9 1.0
assign (resid 19 and name HN)(resid 19 and name HG) 3.5 1.7 0.0
assign (resid 19 and name HN)(resid 19 and name HD#) 5.0 3.2 2.4

assign (resid 19 and name HA)(resid 19 and name HB#) 2.7 0.9 1.0
assign (resid 19 and name HA)(resid 19 and name HG) 3.5 1.7 0.0
assign (resid 19 and name HA)(resid 19 and name HD#) 5.0 3.2 2.4


!G20
assign (resid 20 and name HN)(resid 19 and name HB#) 3.5 1.7 1.0
assign (resid 20 and name HN)(resid 29 and name HB#) 5.0 3.2 1.0
assign (resid 20 and name HN)(resid 31 and name HB#) 5.0 3.2 1.0
assign (resid 20 and name HN)(resid 31 and name HN) 5.0 3.2 0.0
assign (resid 20 and name HN)(resid 19 and name HD#) 5.0 3.2 2.4
assign (resid 20 and name HN)(resid 20 and name HA#) 3.5 1.7 1.0
assign (resid 20 and name HN)(resid 19 and name HA) 2.7 0.9 0.0
assign (resid 20 and name HN)(resid 19 and name HN) 5.0 3.2 0.0

assign (resid 20 and name HA#)(resid 12 and name HA) 3.5 1.7 1.0
assign (resid 20 and name HA#)(resid 21 and name HB#) 5.0 3.2 2.0
assign (resid 20 and name HA#)(resid 29 and name HB#) 5.0 3.2 2.0

!C21
assign (resid 21 and name HN)(resid 21 and name HA) 3.5 1.7 0.0
assign (resid 21 and name HN)(resid 20 and name HA#) 2.7 0.9 1.0
assign (resid 21 and name HN)(resid 12 and name HA) 2.7 0.9 0.0
assign (resid 21 and name HN)(resid 21 and name HB#) 2.7 0.9 1.0
assign (resid 21 and name HN)(resid 12 and name HB#) 5.0 3.2 1.0
assign (resid 21 and name HN)(resid 28 and name HA) 5.0 3.2 0.0

assign (resid 21 and name HA)(resid 29 and name HB#) 5.0 3.2 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 21 and name HB#) 3.5 1.7 1.0

!K22
assign (resid 22 and name HN)(resid 27 and name HN) 3.5 1.7 0.0
assign (resid 22 and name HN)(resid 26 and name HA) 5.0 3.2 0.0
assign (resid 22 and name HN)(resid 21 and name HA) 2.7 0.9 0.0
assign (resid 22 and name HN)(resid 22 and name HA) 3.5 1.7 0.0
assign (resid 22 and name HN)(resid 21 and name HB#) 5.0 3.2 1.0
assign (resid 22 and name HN)(resid 22 and name HD#) 5.0 3.2 1.0
assign (resid 22 and name HN)(resid 22 and name HG#) 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 28 and name HA) 3.5 1.7 0.0
assign (resid 22 and name HN)(resid 26 and name HN) 5.0 3.2 0.0

assign (resid 22 and name HA)(resid 22 and name HB#) 2.7 0.9 1.0
assign (resid 22 and name HA)(resid 22 and name HG#) 3.5 1.7 1.0
assign (resid 22 and name HA)(resid 22 and name HD#) 5.0 3.2 1.0
assign (resid 22 and name HA)(resid 23 and name HD#) 2.7 0.9 1.0


!P23
assign (resid 23 and name HD#)(resid 23 and name HG#) 2.7 0.9 1.0
assign (resid 23 and name HD#)(resid 23 and name HB#) 3.5 1.7 1.0

!T24
assign (resid 24 and name HN)(resid 23 and name HA) 5.0 3.2 0.0
assign (resid 24 and name HN)(resid 24 and name HA) 3.5 1.7 0.0
assign (resid 24 and name HN)(resid 24 and name HB) 3.5 1.7 0.0
assign (resid 24 and name HN)(resid 24 and name HG2#) 5.0 3.2 1.0

assign (resid 24 and name HA)(resid 24 and name HB) 3.5 1.7 0.0
assign (resid 24 and name HB)(resid 24 and name HG2#) 3.5 1.7 1.0
assign (resid 24 and name HB)(resid 25 and name HG#) 5.0 3.2 1.0
assign (resid 24 and name HB)(resid 25 and name HD#) 5.0 3.2 2.4

!L25
assign (resid 25 and name HA)(resid 25 and name HG) 3.5 1.7 0.0
assign (resid 25 and name HA)(resid 25 and name HB#) 3.5 1.7 1.0
assign (resid 25 and name HA)(resid 25 and name HD#) 3.5 1.7 2.4

!K26
assign (resid 26 and name HN)(resid 26 and name HB#) 3.5 1.7 1.0
assign (resid 26 and name HN)(resid 26 and name HA) 3.5 1.7 0.0
assign (resid 26 and name HN)(resid 22 and name HB#) 3.5 1.7 1.0
assign (resid 26 and name HN)(resid 27 and name HN) 2.7 0.9 0.0
assign (resid 26 and name HN)(resid 26 and name HG#) 3.5 1.7 1.0
assign (resid 26 and name HN)(resid 25 and name HB#) 3.5 1.7 1.0
assign (resid 26 and name HN)(resid 25 and name HG) 5.0 3.2 0.0

assign (resid 26 and name HA)(resid 26 and name HB#) 2.7 0.9 1.0
assign (resid 26 and name HA)(resid 26 and name HG#) 2.7 0.9 1.0
assign (resid 26 and name HA)(resid 26 and name HD#) 3.5 1.7 1.0
assign (resid 26 and name HA)(resid 22 and name HB#) 3.5 1.7 1.0

!Y27
assign (resid 27 and name HN)(resid 27 and name HA) 3.5 1.7 0.0
assign (resid 27 and name HN)(resid 26 and name HA) 2.7 0.9 0.0
assign (resid 27 and name HN)(resid 27 and name HB#) 5.0 3.2 1.0
assign (resid 27 and name HN)(resid 26 and name HB#) 5.0 3.2 1.0
assign (resid 27 and name HN)(resid 26 and name HG#) 5.0 3.2 1.0
assign (resid 27 and name HN)(resid 22 and name HG#) 3.5 1.7 1.0
assign (resid 27 and name HN)(resid 22 and name HB#) 5.0 3.2 1.0
assign (resid 27 and name HN)(resid 25 and name HB#) 5.0 3.2 1.0

assign (resid 27 and name HA)(resid 8 and name HA#) 2.7 0.9 1.0
assign (resid 27 and name HA)(resid 9 and name HB#) 5.0 3.2 1.0
assign (resid 27 and name HA)(resid 27 and name HB#) 2.7 0.9 1.0
assign (resid 27 and name HA)(resid 28 and name HB#) 5.0 3.2 1.0

assign (resid 27 and name HD#)(resid 27 and name HA) 5.0 3.2 2.4
assign (resid 27 and name HD#)(resid 28 and name HA) 5.0 3.2 2.4
assign (resid 27 and name HD#)(resid 8 and name HA#) 6.0 4.2 3.4
assign (resid 27 and name HD#)(resid 6 and name HA) 3.5 1.7 2.4
assign (resid 27 and name HD#)(resid 5 and name HA) 5.0 3.2 2.4
assign (resid 27 and name HD#)(resid 6 and name HB#) 5.0 3.2 3.4
assign (resid 27 and name HD#)(resid 25 and name HD#) 5.0 3.2 4.8
assign (resid 27 and name HD#)(resid 25 and name HA) 5.0 3.2 2.4
assign (resid 27 and name HD#)(resid 25 and name HB#) 3.5 1.7 2.4
assign (resid 27 and name HD#)(resid 27 and name HB#) 2.7 0.9 3.4
assign (resid 27 and name HD#)(resid 29 and name HB#) 3.5 1.7 3.4
assign (resid 27 and name HD#)(resid 22 and name HB#) 3.5 1.7 3.4
assign (resid 27 and name HD#)(resid 27 and name HE#) 2.7 0.9 4.8
assign (resid 27 and name HD#)(resid 6 and name HD#) 3.5 1.7 4.8

assign (resid 27 and name HE#)(resid 29 and name HB#) 2.7 0.9 3.4
assign (resid 27 and name HE#)(resid 22 and name HD#) 2.7 0.9 3.4
assign (resid 27 and name HE#)(resid 27 and name HB#) 5.0 3.2 3.4
assign (resid 27 and name HE#)(resid 25 and name HD#) 3.5 1.7 4.8
assign (resid 27 and name HE#)(resid 25 and name HB#) 3.5 1.7 3.4

!C28
assign (resid 28 and name HN)(resid 28 and name HB#) 2.7 0.9 1.0
assign (resid 28 and name HN)(resid 8 and name HA#) 3.5 1.7 1.0
assign (resid 28 and name HN)(resid 27 and name HB#) 2.7 0.9 1.0
assign (resid 28 and name HN)(resid 19 and name HD#) 5.0 3.2 2.4
assign (resid 28 and name HN)(resid 21 and name HA) 5.0 3.2 0.0
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) 2.7 0.9 0.0
assign (resid 28 and name HN)(resid 27 and name HN) 5.0 3.2 0.0
assign (resid 28 and name HN)(resid 27 and name HD#) 5.0 3.2 2.4
assign (resid 28 and name HN)(resid 9 and name HN) 5.0 3.2 0.0

assign (resid 28 and name HA)(resid 28 and name HB#) 2.7 0.9 1.0
assign (resid 28 and name HA)(resid 19 and name HB#) 5.0 3.2 1.0
assign (resid 28 and name HB#)(resid 15 and name HB#) 2.7 0.9 2.0
assign (resid 28 and name HB#)(resid 19 and name HB#) 3.5 1.7 2.0
assign (resid 28 and name HB#)(resid 19 and name HG) 3.5 1.7 1.0
assign (resid 28 and name HB#)(resid 19 and name HD#) 3.5 1.7 3.4


!A29
assign (resid 29 and name HN)(resid 20 and name HN) 2.7 0.9 0.0
assign (resid 29 and name HN)(resid 22 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 21 and name HA) 5.0 3.2 0.0
assign (resid 29 and name HN)(resid 20 and name HA#) 5.0 3.2 1.0
assign (resid 29 and name HN)(resid 28 and name HB#) 5.0 3.2 1.0
assign (resid 29 and name HN)(resid 19 and name HB#) 5.0 3.2 1.0
assign (resid 29 and name HN)(resid 19 and name HD#) 5.0 3.2 2.4
assign (resid 29 and name HN)(resid 29 and name HA) 5.0 3.2 0.0
assign (resid 29 and name HN)(resid 29 and name HB#) 3.5 1.7 1.0

assign (resid 29 and name HA)(resid 29 and name HB#) 2.7 0.9 1.0
assign (resid 29 and name HA)(resid 5 and name HG#) 3.5 1.7 1.0
assign (resid 29 and name HA)(resid 19 and name HD#) 5.0 3.2 2.4

!W30
assign (resid 30 and name HN)(resid 30 and name HB#) 2.7 0.9 1.0
assign (resid 30 and name HN)(resid 19 and name HD#) 3.5 1.7 2.4
assign (resid 30 and name HN)(resid 19 and name HB#) 5.0 3.2 1.0
assign (resid 30 and name HN)(resid 29 and name HA) 2.7 0.9 0.0
assign (resid 30 and name HN)(resid 29 and name HB#) 3.5 1.7 1.0
assign (resid 30 and name HN)(resid 30 and name HA) 3.5 1.7 0.0
assign (resid 30 and name HN)(resid 30 and name HD1) 5.0 3.2 0.0
assign (resid 30 and name HN)(resid 5 and name HG#) 3.5 1.7 1.0

assign (resid 30 and name HA)(resid 29 and name HB#) 5.0 3.2 1.0
assign (resid 30 and name HA)(resid 30 and name HB#) 3.5 1.7 1.0
assign (resid 30 and name HA)(resid 19 and name HD#) 3.5 1.7 2.4

assign (resid 30 and name HE1)(resid 18 and name HB#) 5.0 3.2 1.0
assign (resid 30 and name HE1)(resid 31 and name HN) 6.0 4.2 0.0
assign (resid 30 and name HE1)(resid 32 and name HN) 5.0 3.2 0.0
assign (resid 30 and name HE1)(resid 33 and name HN) 5.0 3.2 0.0
assign (resid 30 and name HE1)(resid 30 and name HD1) 2.7 0.9 0.0
assign (resid 30 and name HE1)(resid 30 and name HZ2) 3.5 1.7 0.0 
assign (resid 30 and name HE1)(resid 30 and name HB#) 5.0 3.2 1.0
assign (resid 30 and name HE1)(resid 32 and name HA#) 5.0 3.2 1.0

assign (resid 30 and name HE3)(resid 30 and name HZ3) 2.7 0.9 0.0
assign (resid 30 and name HE3)(resid 30 and name HA) 5.0 3.2 0.0
assign (resid 30 and name HE3)(resid 30 and name HB#) 3.5 1.7 1.0
assign (resid 30 and name HE3)(resid 4 and name HG#) 5.0 3.2 1.0
assign (resid 30 and name HE3)(resid 19 and name HG) 5.0 3.2 0.0
assign (resid 30 and name HE3)(resid 19 and name HD#) 3.5 1.7 2.4
assign (resid 30 and name HE3)(resid 18 and name HB#) 5.0 3.2 1.0
assign (resid 30 and name HE3)(resid 5 and name HG#) 5.0 3.2 1.0

assign (resid 30 and name HD1)(resid 32 and name HN) 6.0 4.2 0.0
assign (resid 30 and name HD1)(resid 30 and name HA) 5.0 3.2 0.0
assign (resid 30 and name HD1)(resid 30 and name HB#) 3.5 1.7 1.0
assign (resid 30 and name HD1)(resid 19 and name HD#) 5.0 3.2 2.4
assign (resid 30 and name HD1)(resid 18 and name HB#) 5.0 3.2 1.0
assign (resid 30 and name HD1)(resid 5 and name HG#) 5.0 3.2 1.0

assign (resid 30 and name HZ3)(resid 19 and name HD#) 6.0 4.2 2.4
assign (resid 30 and name HZ3)(resid 19 and name HG) 5.0 3.2 0.0
assign (resid 30 and name HZ3)(resid 4 and name HG#) 5.0 3.2 1.0
assign (resid 30 and name HZ2)(resid 32 and name HA#) 5.0 3.2 1.0

!D31
assign (resid 31 and name HN)(resid 30 and name HB#) 3.5 1.7 1.0
assign (resid 31 and name HN)(resid 31 and name HB#) 3.5 1.7 1.0
assign (resid 31 and name HN)(resid 31 and name HA) 3.5 1.7 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 19 and name HA) 3.5 1.7 0.0
assign (resid 31 and name HN)(resid 19 and name HD#) 5.0 3.2 2.4
assign (resid 31 and name HN)(resid 30 and name HD1) 5.0 3.2 0.0
assign (resid 31 and name HN)(resid 34 and name HE#) 5.0 3.2 2.4
assign (resid 31 and name HN)(resid 32 and name HN) 3.5 1.7 0.0

assign (resid 31 and name HA)(resid 31 and name HB#) 2.7 0.9 1.0

!G32
assign (resid 32 and name HN)(resid 31 and name HA) 2.7 0.9 0.0
assign (resid 32 and name HN)(resid 32 and name HA#) 2.7 0.9 1.0
assign (resid 32 and name HN)(resid 31 and name HB#) 5.0 3.2 1.0

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

!T33
assign (resid 33 and name HN)(resid 33 and name HB) 5.0 3.2 0.0
assign (resid 33 and name HN)(resid 32 and name HA#) 2.7 0.9 1.0
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 HG2#) 3.5 1.7 1.0
assign (resid 33 and name HN)(resid 32 and name HN) 3.5 1.7 0.0

assign (resid 33 and name HA)(resid 33 and name HG2#) 5.0 3.2 1.0
assign (resid 33 and name HA)(resid 32 and name HA#) 3.5 1.7 1.0
assign (resid 33 and name HB#)(resid 33 and name HG2#) 2.7 0.9 2.0

!F34
assign (resid 34 and name HN)(resid 34 and name HA) 3.5 1.7 0.0
assign (resid 34 and name HN)(resid 33 and name HA) 3.5 0.9 0.0
assign (resid 34 and name HN)(resid 33 and name HB) 3.5 1.7 0.0
assign (resid 34 and name HN)(resid 34 and name HB#) 3.5 1.7 1.0
assign (resid 34 and name HN)(resid 34 and name HD#) 5.0 3.2 2.4
assign (resid 34 and name HN)(resid 34 and name HE#) 5.0 3.2 2.4

assign (resid 34 and name HA)(resid 34 and name HB#) 2.7 0.9 1.0

assign (resid 34 and name HD#)(resid 34 and name HB#) 3.5 1.7 3.4
assign (resid 34 and name HD#)(resid 34 and name HA) 5.0 3.2 2.4
assign (resid 34 and name HD#)(resid 33 and name HA) 5.0 3.2 2.4

assign (resid 34 and name HE#)(resid 34 and name HD#) 5.0 3.2 4.8
assign (resid 34 and name HE#)(resid 33 and name HG2#) 5.0 3.2 3.4
assign (resid 34 and name HE#)(resid 34 and name HA) 5.0 3.2 2.4
assign (resid 34 and name HE#)(resid 34 and name HB#) 6.0 3.2 3.4


assign (resid 2 and name SG)(resid 16 and name SG)  2.02 0.02 0.02
assign (resid 2 and name SG)(resid 16 and name CB)  2.99 0.5 0.5
assign (resid 2 and name CB)(resid 16 and name SG)  2.99 0.5 0.5
assign (resid 9 and name SG)(resid 21 and name SG)  2.02 0.02 0.02
assign (resid 9 and name SG)(resid 21 and name CB)  2.99 0.5 0.5
assign (resid 9 and name CB)(resid 21 and name SG)  2.99 0.5 0.5
assign (resid 15 and name SG)(resid 28 and name SG)  2.02 0.02 0.02
assign (resid 15 and name SG)(resid 28 and name CB)  2.99 0.5 0.5
assign (resid 15 and name CB)(resid 28 and name SG)  2.99 0.5 0.5
 


 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1HT       GLU   1  11.009   6.686   4.735
    2   2H    GLU   1          2HT       GLU   1  12.703   6.629   4.826
    3   3H    GLU   1          3HT       GLU   1  11.765   5.503   5.685
    4    HA   GLU   1           HA       GLU   1  11.915   5.703   2.715
    5   1HB   GLU   1          2HB       GLU   1  13.446   4.325   4.845
    6   2HB   GLU   1          1HB       GLU   1  12.968   3.294   3.497
    7   1HG   GLU   1          2HG       GLU   1  13.834   5.402   2.086
    8   2HG   GLU   1          1HG       GLU   1  14.821   5.632   3.530
    9    H    CYS   2           H        CYS   2   9.400   5.786   3.481
   10    HA   CYS   2           HA       CYS   2   8.341   3.095   4.127
   11   1HB   CYS   2          2HB       CYS   2   6.210   4.322   4.255
   12   2HB   CYS   2          1HB       CYS   2   7.458   5.173   5.162
   13    H    ARG   3           H        ARG   3   6.167   2.686   2.695
   14    HA   ARG   3           HA       ARG   3   7.111   2.606  -0.141
   15   1HB   ARG   3          2HB       ARG   3   6.268   0.647   1.572
   16   2HB   ARG   3          1HB       ARG   3   4.764   1.027   0.732
   17   1HG   ARG   3          2HG       ARG   3   5.583  -0.466  -0.798
   18   2HG   ARG   3          1HG       ARG   3   6.446   0.956  -1.383
   19   1HD   ARG   3          2HD       ARG   3   7.555  -1.052   0.619
   20   2HD   ARG   3          1HD       ARG   3   7.999  -0.961  -1.096
   21    HE   ARG   3           HE       ARG   3   8.557   1.182   0.915
   22   1HH1  ARG   3          1HH1      ARG   3   8.213   1.382  -2.295
   23   2HH1  ARG   3          2HH1      ARG   3   9.877   1.636  -2.699
   24   1HH2  ARG   3          1HH2      ARG   3  11.051   0.792   0.462
   25   2HH2  ARG   3          2HH2      ARG   3  11.487   1.303  -1.134
   26    H    LYS   4           H        LYS   4   5.477   2.966  -1.835
   27    HA   LYS   4           HA       LYS   4   3.201   4.725  -0.966
   28   1HB   LYS   4          2HB       LYS   4   5.339   5.043  -3.072
   29   2HB   LYS   4          1HB       LYS   4   3.802   5.892  -3.227
   30   1HG   LYS   4          2HG       LYS   4   5.423   6.023  -0.683
   31   2HG   LYS   4          1HG       LYS   4   5.718   7.133  -2.021
   32   1HD   LYS   4          2HD       LYS   4   2.910   7.082  -1.637
   33   2HD   LYS   4          1HD       LYS   4   3.629   7.225  -0.033
   34   1HE   LYS   4          2HE       LYS   4   3.676   9.466  -0.580
   35   2HE   LYS   4          1HE       LYS   4   5.174   9.003  -1.413
   36   1HZ   LYS   4          1HZ       LYS   4   2.443   9.164  -2.569
   37   2HZ   LYS   4          2HZ       LYS   4   3.746   8.416  -3.364
   38   3HZ   LYS   4          3HZ       LYS   4   3.802  10.077  -3.009
   39    H    MET   5           H        MET   5   2.005   5.110  -3.404
   40    HA   MET   5           HA       MET   5   0.451   2.798  -3.869
   41   1HB   MET   5          2HB       MET   5   1.125   5.301  -5.396
   42   2HB   MET   5          1HB       MET   5   0.133   4.065  -6.170
   43   1HG   MET   5          2HG       MET   5  -1.672   4.700  -4.988
   44   2HG   MET   5          1HG       MET   5  -0.793   4.513  -3.470
   45   1HE   MET   5          1HE       MET   5  -2.920   7.548  -3.836
   46   2HE   MET   5          2HE       MET   5  -2.916   6.215  -4.990
   47   3HE   MET   5          3HE       MET   5  -2.449   7.830  -5.517
   48    H    PHE   6           H        PHE   6   0.763   0.969  -5.106
   49    HA   PHE   6           HA       PHE   6   1.874  -0.638  -6.430
   50   1HB   PHE   6          2HB       PHE   6   2.866   1.851  -7.863
   51   2HB   PHE   6          1HB       PHE   6   2.697   0.237  -8.549
   52    HD1  PHE   6           1HD      PHE   6   0.218  -0.809  -8.146
   53    HD2  PHE   6           2HD      PHE   6   1.185   3.371  -8.362
   54    HE1  PHE   6           1HE      PHE   6  -2.129  -0.297  -8.762
   55    HE2  PHE   6           2HE      PHE   6  -1.162   3.883  -8.976
   56    HZ   PHE   6           HZ       PHE   6  -2.819   2.049  -9.175
   57    H    GLY   7           H        GLY   7   3.257   0.165  -4.040
   58   1HA   GLY   7          2HA       GLY   7   6.100   0.455  -4.834
   59   2HA   GLY   7          1HA       GLY   7   5.475   0.549  -3.188
   60    H    GLY   8           H        GLY   8   3.939  -1.871  -3.209
   61   1HA   GLY   8          2HA       GLY   8   4.252  -4.269  -3.476
   62   2HA   GLY   8          1HA       GLY   8   5.972  -3.983  -3.743
   63    H    CYS   9           H        CYS   9   3.902  -5.220  -1.530
   64    HA   CYS   9           HA       CYS   9   5.866  -4.915   0.664
   65   1HB   CYS   9          2HB       CYS   9   4.011  -4.092   2.178
   66   2HB   CYS   9          1HB       CYS   9   4.488  -2.944   0.929
   67    H    SER  10           H        SER  10   4.497  -5.993   2.740
   68    HA   SER  10           HA       SER  10   3.277  -8.540   1.724
   69   1HB   SER  10          2HB       SER  10   5.727  -8.694   2.309
   70   2HB   SER  10          1HB       SER  10   5.310  -8.239   3.958
   71    HG   SER  10           HG       SER  10   4.784 -10.592   2.540
   72    H    VAL  11           H        VAL  11   3.875  -6.554   4.654
   73    HA   VAL  11           HA       VAL  11   1.270  -7.522   5.774
   74    HB   VAL  11           HB       VAL  11   2.261  -6.782   7.939
   75   1HG1  VAL  11          1HG1      VAL  11   2.831  -8.979   7.812
   76   2HG1  VAL  11          2HG1      VAL  11   4.459  -8.365   7.525
   77   3HG1  VAL  11          3HG1      VAL  11   3.437  -8.828   6.164
   78   1HG2  VAL  11          1HG2      VAL  11   4.803  -6.269   6.368
   79   2HG2  VAL  11          2HG2      VAL  11   4.505  -5.940   8.075
   80   3HG2  VAL  11          3HG2      VAL  11   3.696  -4.979   6.838
   81    H    ASP  12           H        ASP  12  -0.092  -5.885   6.833
   82    HA   ASP  12           HA       ASP  12  -0.617  -3.582   5.312
   83   1HB   ASP  12          2HB       ASP  12  -2.169  -3.058   7.074
   84   2HB   ASP  12          1HB       ASP  12  -2.090  -4.815   6.968
   85    H    SER  13           H        SER  13   1.465  -3.980   8.140
   86    HA   SER  13           HA       SER  13   2.010  -1.089   8.363
   87   1HB   SER  13          2HB       SER  13   2.908  -3.609   9.772
   88   2HB   SER  13          1HB       SER  13   3.609  -2.038  10.151
   89    HG   SER  13           HG       SER  13   1.688  -2.777  11.396
   90    H    ASP  14           H        ASP  14   2.734  -1.918   5.801
   91    HA   ASP  14           HA       ASP  14   5.732  -1.840   5.925
   92   1HB   ASP  14          2HB       ASP  14   4.446  -4.046   5.268
   93   2HB   ASP  14          1HB       ASP  14   4.203  -3.220   3.729
   94    H    CYS  15           H        CYS  15   3.294   0.124   5.354
   95    HA   CYS  15           HA       CYS  15   4.538   1.351   2.922
   96   1HB   CYS  15          2HB       CYS  15   1.568   1.232   3.503
   97   2HB   CYS  15          1HB       CYS  15   2.351   1.706   1.997
   98    H    CYS  16           H        CYS  16   3.681   3.708   2.718
   99    HA   CYS  16           HA       CYS  16   4.203   5.121   5.207
  100   1HB   CYS  16          2HB       CYS  16   4.183   5.610   2.422
  101   2HB   CYS  16          1HB       CYS  16   2.986   6.709   3.106
  102    H    ALA  17           H        ALA  17   2.450   7.134   5.473
  103    HA   ALA  17           HA       ALA  17   0.126   5.976   6.651
  104   1HB   ALA  17          1HB       ALA  17   1.011   8.059   7.455
  105   2HB   ALA  17          2HB       ALA  17  -0.561   8.435   6.747
  106   3HB   ALA  17          3HB       ALA  17   0.917   8.785   5.850
  107    H    HIS  18           H        HIS  18  -2.123   6.303   5.968
  108    HA   HIS  18           HA       HIS  18  -3.887   6.277   4.407
  109   1HB   HIS  18          2HB       HIS  18  -2.037   7.755   2.532
  110   2HB   HIS  18          1HB       HIS  18  -3.778   7.934   2.716
  111    HD1  HIS  18           1HD      HIS  18  -1.050   9.925   3.287
  112    HD2  HIS  18           2HD      HIS  18  -4.024   8.604   5.889
  113    HE1  HIS  18           1HE      HIS  18  -1.068  11.542   5.235
  114    H    LEU  19           H        LEU  19  -1.634   4.203   4.329
  115    HA   LEU  19           HA       LEU  19  -2.244   3.144   1.592
  116   1HB   LEU  19          2HB       LEU  19   0.354   3.604   3.007
  117   2HB   LEU  19          1HB       LEU  19   0.224   2.180   1.976
  118    HG   LEU  19           HG       LEU  19  -0.665   4.870   0.979
  119   1HD1  LEU  19          1HD1      LEU  19   1.774   4.821   1.895
  120   2HD1  LEU  19          2HD1      LEU  19   1.497   5.449   0.271
  121   3HD1  LEU  19          3HD1      LEU  19   2.108   3.809   0.491
  122   1HD2  LEU  19          1HD2      LEU  19   0.657   2.744  -0.658
  123   2HD2  LEU  19          2HD2      LEU  19  -0.628   3.865  -1.106
  124   3HD2  LEU  19          3HD2      LEU  19  -0.995   2.459  -0.108
  125    H    GLY  20           H        GLY  20  -2.289   0.804   1.493
  126   1HA   GLY  20          2HA       GLY  20  -2.040  -0.685   4.038
  127   2HA   GLY  20          1HA       GLY  20  -3.633  -0.677   3.281
  128    H    CYS  21           H        CYS  21  -0.904  -2.481   3.538
  129    HA   CYS  21           HA       CYS  21  -0.338  -3.349   0.869
  130   1HB   CYS  21          2HB       CYS  21   0.815  -3.743   3.206
  131   2HB   CYS  21          1HB       CYS  21  -0.232  -5.161   3.272
  132    H    LYS  22           H        LYS  22  -1.778  -4.297  -0.500
  133    HA   LYS  22           HA       LYS  22  -4.356  -5.269   0.196
  134   1HB   LYS  22          2HB       LYS  22  -2.474  -5.625  -2.134
  135   2HB   LYS  22          1HB       LYS  22  -4.048  -6.420  -2.124
  136   1HG   LYS  22          2HG       LYS  22  -3.679  -3.447  -1.672
  137   2HG   LYS  22          1HG       LYS  22  -4.028  -4.157  -3.248
  138   1HD   LYS  22          2HD       LYS  22  -5.983  -5.341  -1.853
  139   2HD   LYS  22          1HD       LYS  22  -5.791  -3.899  -0.855
  140   1HE   LYS  22          2HE       LYS  22  -5.750  -2.933  -3.494
  141   2HE   LYS  22          1HE       LYS  22  -7.044  -4.147  -3.470
  142   1HZ   LYS  22          1HZ       LYS  22  -7.906  -2.042  -2.700
  143   2HZ   LYS  22          2HZ       LYS  22  -6.678  -1.920  -1.533
  144   3HZ   LYS  22          3HZ       LYS  22  -7.860  -3.132  -1.401
  145    HA   PRO  23           HA       PRO  23  -3.243  -9.198   1.966
  146   1HB   PRO  23          2HB       PRO  23  -5.786 -10.210   2.140
  147   2HB   PRO  23          1HB       PRO  23  -5.140  -9.007   3.275
  148   1HG   PRO  23          2HG       PRO  23  -6.946  -8.627   0.939
  149   2HG   PRO  23          1HG       PRO  23  -6.971  -7.841   2.525
  150   1HD   PRO  23          2HD       PRO  23  -5.978  -6.656   0.283
  151   2HD   PRO  23          1HD       PRO  23  -5.408  -6.279   1.924
  152    H    THR  24           H        THR  24  -5.697  -9.127  -0.660
  153    HA   THR  24           HA       THR  24  -5.093 -11.813  -1.604
  154    HB   THR  24           HB       THR  24  -6.346  -9.632  -3.268
  155    HG1  THR  24           1HG      THR  24  -7.731  -9.279  -1.752
  156   1HG2  THR  24          1HG2      THR  24  -6.296 -11.756  -4.334
  157   2HG2  THR  24          2HG2      THR  24  -7.937 -11.593  -3.708
  158   3HG2  THR  24          3HG2      THR  24  -6.762 -12.594  -2.854
  159    H    LEU  25           H        LEU  25  -4.029  -8.533  -2.447
  160    HA   LEU  25           HA       LEU  25  -2.282  -9.600  -4.620
  161   1HB   LEU  25          2HB       LEU  25  -3.017  -6.782  -3.745
  162   2HB   LEU  25          1HB       LEU  25  -2.095  -7.192  -5.190
  163    HG   LEU  25           HG       LEU  25  -4.554  -8.725  -5.090
  164   1HD1  LEU  25          1HD1      LEU  25  -4.706  -5.756  -4.647
  165   2HD1  LEU  25          2HD1      LEU  25  -5.705  -7.038  -3.961
  166   3HD1  LEU  25          3HD1      LEU  25  -5.928  -6.551  -5.641
  167   1HD2  LEU  25          1HD2      LEU  25  -2.956  -8.052  -7.035
  168   2HD2  LEU  25          2HD2      LEU  25  -3.860  -6.538  -7.047
  169   3HD2  LEU  25          3HD2      LEU  25  -4.692  -8.063  -7.348
  170    H    LYS  26           H        LYS  26  -0.398  -7.297  -4.269
  171    HA   LYS  26           HA       LYS  26   0.819  -7.765  -1.610
  172   1HB   LYS  26          2HB       LYS  26   1.509  -9.220  -3.983
  173   2HB   LYS  26          1HB       LYS  26   2.873  -8.190  -3.554
  174   1HG   LYS  26          2HG       LYS  26   1.968  -9.241  -1.113
  175   2HG   LYS  26          1HG       LYS  26   1.914 -10.596  -2.240
  176   1HD   LYS  26          2HD       LYS  26   4.321  -8.778  -1.998
  177   2HD   LYS  26          1HD       LYS  26   4.137 -10.243  -1.033
  178   1HE   LYS  26          2HE       LYS  26   3.552 -11.050  -3.665
  179   2HE   LYS  26          1HE       LYS  26   4.971  -9.993  -3.806
  180   1HZ   LYS  26          1HZ       LYS  26   4.649 -12.287  -1.942
  181   2HZ   LYS  26          2HZ       LYS  26   5.963 -11.209  -1.922
  182   3HZ   LYS  26          3HZ       LYS  26   5.701 -12.209  -3.270
  183    H    TYR  27           H        TYR  27  -0.170  -5.348  -2.418
  184    HA   TYR  27           HA       TYR  27   2.292  -3.714  -2.630
  185   1HB   TYR  27          2HB       TYR  27   1.468  -2.483  -4.570
  186   2HB   TYR  27          1HB       TYR  27   1.501  -4.199  -4.959
  187    HD1  TYR  27           1HD      TYR  27  -0.693  -1.351  -4.044
  188    HD2  TYR  27           2HD      TYR  27  -0.523  -5.429  -5.383
  189    HE1  TYR  27           1HE      TYR  27  -3.110  -1.272  -4.590
  190    HE2  TYR  27           2HE      TYR  27  -2.939  -5.349  -5.927
  191    HH   TYR  27           HH       TYR  27  -4.613  -3.146  -6.545
  192    H    CYS  28           H        CYS  28   1.854  -1.422  -2.074
  193    HA   CYS  28           HA       CYS  28  -0.163  -1.199   0.034
  194   1HB   CYS  28          2HB       CYS  28   1.619   0.932  -1.195
  195   2HB   CYS  28          1HB       CYS  28   0.890   0.957   0.410
  196    H    ALA  29           H        ALA  29  -2.273  -0.884  -0.555
  197    HA   ALA  29           HA       ALA  29  -2.934   0.648  -3.010
  198   1HB   ALA  29          1HB       ALA  29  -5.218  -0.205  -2.487
  199   2HB   ALA  29          2HB       ALA  29  -4.599  -0.888  -0.984
  200   3HB   ALA  29          3HB       ALA  29  -4.029  -1.507  -2.534
  201    H    TRP  30           H        TRP  30  -2.730   2.849  -2.568
  202    HA   TRP  30           HA       TRP  30  -3.209   4.144  -0.077
  203   1HB   TRP  30          2HB       TRP  30  -2.033   4.951  -2.210
  204   2HB   TRP  30          1HB       TRP  30  -3.639   5.317  -2.838
  205    HD1  TRP  30           HD       TRP  30  -5.146   7.021  -1.231
  206    HE1  TRP  30           1HE      TRP  30  -4.352   9.090   0.087
  207    HE3  TRP  30           3HE      TRP  30  -0.138   6.050  -0.998
  208    HZ2  TRP  30           2HZ      TRP  30  -1.915  10.186   1.105
  209    HZ3  TRP  30           3HZ      TRP  30   1.394   7.622   0.150
  210    HH2  TRP  30           HH       TRP  30   0.514   9.688   1.201
  211    H    ASP  31           H        ASP  31  -5.123   4.529   0.976
  212    HA   ASP  31           HA       ASP  31  -7.632   4.791  -0.628
  213   1HB   ASP  31          2HB       ASP  31  -6.797   2.635   1.161
  214   2HB   ASP  31          1HB       ASP  31  -8.327   3.350   1.670
  215    H    GLY  32           H        GLY  32  -6.604   7.069   0.223
  216   1HA   GLY  32          2HA       GLY  32  -7.221   7.735   2.991
  217   2HA   GLY  32          1HA       GLY  32  -6.776   8.882   1.725
  218    H    THR  33           H        THR  33  -8.662   8.745  -0.141
  219    HA   THR  33           HA       THR  33 -11.124   9.607   1.278
  220    HB   THR  33           HB       THR  33 -11.662  10.410  -1.096
  221    HG1  THR  33           1HG      THR  33 -10.144  10.189  -2.611
  222   1HG2  THR  33          1HG2      THR  33 -10.711  11.902   0.608
  223   2HG2  THR  33          2HG2      THR  33 -10.031  12.264  -0.978
  224   3HG2  THR  33          3HG2      THR  33  -9.087  11.350   0.198
  225    H    PHE  34           H        PHE  34 -10.981   8.130  -1.938
  226    HA   PHE  34           HA       PHE  34 -12.303   6.421  -2.889
  227   1HB   PHE  34          2HB       PHE  34 -11.128   5.375  -0.318
  228   2HB   PHE  34          1HB       PHE  34 -12.125   4.324  -1.323
  229    HD1  PHE  34           1HD      PHE  34 -11.159   3.185  -3.127
  230    HD2  PHE  34           2HD      PHE  34  -9.206   6.671  -1.548
  231    HE1  PHE  34           1HE      PHE  34  -9.225   2.782  -4.625
  232    HE2  PHE  34           2HE      PHE  34  -7.274   6.267  -3.047
  233    HZ   PHE  34           HZ       PHE  34  -7.282   4.322  -4.585
  Start of MODEL    2
    1   1H    GLU   1          1HT       GLU   1  11.402   4.877   5.836
    2   2H    GLU   1          2HT       GLU   1  10.880   6.454   5.493
    3   3H    GLU   1          3HT       GLU   1  12.532   6.071   5.416
    4    HA   GLU   1           HA       GLU   1  11.252   6.246   3.214
    5   1HB   GLU   1          2HB       GLU   1  12.670   4.342   2.380
    6   2HB   GLU   1          1HB       GLU   1  13.535   5.439   3.454
    7   1HG   GLU   1          2HG       GLU   1  13.825   3.843   5.044
    8   2HG   GLU   1          1HG       GLU   1  12.185   3.224   4.854
    9    H    CYS   2           H        CYS   2   8.919   5.750   4.202
   10    HA   CYS   2           HA       CYS   2   8.022   2.987   4.214
   11   1HB   CYS   2          2HB       CYS   2   5.783   4.090   4.313
   12   2HB   CYS   2          1HB       CYS   2   6.916   4.770   5.478
   13    H    ARG   3           H        ARG   3   6.090   2.411   2.663
   14    HA   ARG   3           HA       ARG   3   7.061   2.802  -0.121
   15   1HB   ARG   3          2HB       ARG   3   5.658   0.755   1.455
   16   2HB   ARG   3          1HB       ARG   3   4.989   0.977  -0.161
   17   1HG   ARG   3          2HG       ARG   3   7.966   0.790   0.178
   18   2HG   ARG   3          1HG       ARG   3   7.000  -0.686   0.204
   19   1HD   ARG   3          2HD       ARG   3   6.427  -0.512  -2.025
   20   2HD   ARG   3          1HD       ARG   3   6.443   1.260  -1.999
   21    HE   ARG   3           HE       ARG   3   8.703   1.133  -2.650
   22   1HH1  ARG   3          1HH2      ARG   3   7.970  -1.977  -2.866
   23   2HH1  ARG   3          2HH2      ARG   3   9.412  -2.628  -2.161
   24   1HH2  ARG   3          1HH1      ARG   3  10.488   0.421  -0.888
   25   2HH2  ARG   3          2HH1      ARG   3  10.840  -1.267  -1.038
   26    H    LYS   4           H        LYS   4   5.866   3.871  -1.666
   27    HA   LYS   4           HA       LYS   4   3.522   5.429  -0.780
   28   1HB   LYS   4          2HB       LYS   4   5.458   5.350  -3.049
   29   2HB   LYS   4          1HB       LYS   4   3.878   6.058  -3.380
   30   1HG   LYS   4          2HG       LYS   4   4.176   7.520  -1.360
   31   2HG   LYS   4          1HG       LYS   4   5.819   6.897  -1.209
   32   1HD   LYS   4          2HD       LYS   4   4.720   8.301  -3.663
   33   2HD   LYS   4          1HD       LYS   4   5.746   9.057  -2.445
   34   1HE   LYS   4          2HE       LYS   4   7.370   7.041  -2.951
   35   2HE   LYS   4          1HE       LYS   4   6.464   6.956  -4.476
   36   1HZ   LYS   4          1HZ       LYS   4   7.692   9.422  -3.353
   37   2HZ   LYS   4          2HZ       LYS   4   6.860   9.299  -4.830
   38   3HZ   LYS   4          3HZ       LYS   4   8.345   8.503  -4.620
   39    H    MET   5           H        MET   5   1.964   5.620  -2.982
   40    HA   MET   5           HA       MET   5   0.284   3.313  -2.919
   41   1HB   MET   5          2HB       MET   5  -0.144   5.792  -3.540
   42   2HB   MET   5          1HB       MET   5   0.419   5.345  -5.150
   43   1HG   MET   5          2HG       MET   5  -1.390   3.325  -4.456
   44   2HG   MET   5          1HG       MET   5  -2.148   4.812  -3.889
   45   1HE   MET   5          1HE       MET   5  -2.333   6.731  -4.897
   46   2HE   MET   5          2HE       MET   5  -3.605   6.458  -6.085
   47   3HE   MET   5          3HE       MET   5  -2.082   7.186  -6.588
   48    H    PHE   6           H        PHE   6   0.313   1.450  -4.113
   49    HA   PHE   6           HA       PHE   6   1.092  -0.208  -5.597
   50   1HB   PHE   6          2HB       PHE   6   0.889   2.360  -7.155
   51   2HB   PHE   6          1HB       PHE   6   1.444   0.890  -7.958
   52    HD1  PHE   6           1HD      PHE   6  -1.337   2.269  -5.879
   53    HD2  PHE   6           2HD      PHE   6  -0.094  -0.762  -8.653
   54    HE1  PHE   6           1HE      PHE   6  -3.680   1.486  -6.068
   55    HE2  PHE   6           2HE      PHE   6  -2.438  -1.547  -8.844
   56    HZ   PHE   6           HZ       PHE   6  -4.230  -0.424  -7.552
   57    H    GLY   7           H        GLY   7   3.154   0.547  -3.905
   58   1HA   GLY   7          2HA       GLY   7   5.518   0.835  -5.720
   59   2HA   GLY   7          1HA       GLY   7   5.515   1.306  -4.020
   60    H    GLY   8           H        GLY   8   4.015  -1.135  -3.211
   61   1HA   GLY   8          2HA       GLY   8   4.698  -3.622  -3.652
   62   2HA   GLY   8          1HA       GLY   8   6.317  -3.027  -3.275
   63    H    CYS   9           H        CYS   9   4.104  -4.803  -1.849
   64    HA   CYS   9           HA       CYS   9   4.661  -3.635   0.845
   65   1HB   CYS   9          2HB       CYS   9   2.403  -2.962  -0.128
   66   2HB   CYS   9          1HB       CYS   9   1.952  -4.665  -0.039
   67    H    SER  10           H        SER  10   3.951  -5.262   2.584
   68    HA   SER  10           HA       SER  10   4.040  -8.111   1.766
   69   1HB   SER  10          2HB       SER  10   6.186  -6.557   3.195
   70   2HB   SER  10          1HB       SER  10   5.958  -8.259   3.583
   71    HG   SER  10           HG       SER  10   7.174  -7.163   1.473
   72    H    VAL  11           H        VAL  11   4.205  -5.837   4.527
   73    HA   VAL  11           HA       VAL  11   2.226  -7.557   5.993
   74    HB   VAL  11           HB       VAL  11   4.284  -5.627   7.114
   75   1HG1  VAL  11          1HG1      VAL  11   3.869  -7.216   9.139
   76   2HG1  VAL  11          2HG1      VAL  11   2.393  -7.658   8.281
   77   3HG1  VAL  11          3HG1      VAL  11   2.660  -5.985   8.770
   78   1HG2  VAL  11          1HG2      VAL  11   4.447  -8.578   6.488
   79   2HG2  VAL  11          2HG2      VAL  11   5.439  -7.860   7.757
   80   3HG2  VAL  11          3HG2      VAL  11   5.605  -7.307   6.091
   81    H    ASP  12           H        ASP  12   0.802  -6.211   7.485
   82    HA   ASP  12           HA       ASP  12  -0.644  -4.211   6.144
   83   1HB   ASP  12          2HB       ASP  12  -1.352  -5.584   8.113
   84   2HB   ASP  12          1HB       ASP  12  -0.304  -4.598   9.133
   85    H    SER  13           H        SER  13   1.834  -3.781   8.686
   86    HA   SER  13           HA       SER  13   1.851  -0.849   8.256
   87   1HB   SER  13          2HB       SER  13   1.939  -2.105  10.498
   88   2HB   SER  13          1HB       SER  13   3.600  -2.518  10.078
   89    HG   SER  13           HG       SER  13   4.165  -0.552  10.555
   90    H    ASP  14           H        ASP  14   2.681  -1.817   5.894
   91    HA   ASP  14           HA       ASP  14   5.673  -1.558   5.967
   92   1HB   ASP  14          2HB       ASP  14   4.288  -3.826   5.400
   93   2HB   ASP  14          1HB       ASP  14   4.380  -3.112   3.790
   94    H    CYS  15           H        CYS  15   3.434   0.458   5.430
   95    HA   CYS  15           HA       CYS  15   4.497   1.443   2.821
   96   1HB   CYS  15          2HB       CYS  15   1.555   1.258   3.530
   97   2HB   CYS  15          1HB       CYS  15   2.236   1.791   1.994
   98    H    CYS  16           H        CYS  16   3.367   3.750   2.456
   99    HA   CYS  16           HA       CYS  16   4.090   5.404   4.754
  100   1HB   CYS  16          2HB       CYS  16   2.814   6.015   2.065
  101   2HB   CYS  16          1HB       CYS  16   3.449   7.229   3.173
  102    H    ALA  17           H        ALA  17   2.237   7.414   4.807
  103    HA   ALA  17           HA       ALA  17   0.134   6.378   6.431
  104   1HB   ALA  17          1HB       ALA  17   0.948   8.581   6.804
  105   2HB   ALA  17          2HB       ALA  17  -0.676   8.804   6.153
  106   3HB   ALA  17          3HB       ALA  17   0.730   9.025   5.112
  107    H    HIS  18           H        HIS  18  -2.130   6.274   6.005
  108    HA   HIS  18           HA       HIS  18  -4.064   5.843   4.738
  109   1HB   HIS  18          2HB       HIS  18  -2.686   7.585   2.672
  110   2HB   HIS  18          1HB       HIS  18  -4.419   7.345   2.879
  111    HD1  HIS  18           1HD      HIS  18  -4.941   7.833   5.757
  112    HD2  HIS  18           2HD      HIS  18  -2.122  10.089   3.672
  113    HE1  HIS  18           1HE      HIS  18  -4.624   9.976   7.069
  114    H    LEU  19           H        LEU  19  -1.580   4.126   4.383
  115    HA   LEU  19           HA       LEU  19  -2.352   2.937   1.736
  116   1HB   LEU  19          2HB       LEU  19   0.297   3.663   2.931
  117   2HB   LEU  19          1HB       LEU  19   0.221   2.232   1.901
  118    HG   LEU  19           HG       LEU  19  -1.152   4.670   0.903
  119   1HD1  LEU  19          1HD1      LEU  19   0.784   5.825   1.541
  120   2HD1  LEU  19          2HD1      LEU  19   1.165   5.320  -0.104
  121   3HD1  LEU  19          3HD1      LEU  19   1.822   4.426   1.266
  122   1HD2  LEU  19          1HD2      LEU  19  -0.889   2.341  -0.214
  123   2HD2  LEU  19          2HD2      LEU  19   0.761   2.862  -0.559
  124   3HD2  LEU  19          3HD2      LEU  19  -0.606   3.774  -1.200
  125    H    GLY  20           H        GLY  20  -2.692   0.715   1.790
  126   1HA   GLY  20          2HA       GLY  20  -1.936  -0.738   4.293
  127   2HA   GLY  20          1HA       GLY  20  -3.561  -0.890   3.627
  128    H    CYS  21           H        CYS  21  -1.397  -2.921   3.997
  129    HA   CYS  21           HA       CYS  21  -0.280  -3.678   1.458
  130   1HB   CYS  21          2HB       CYS  21  -0.193  -4.478   4.128
  131   2HB   CYS  21          1HB       CYS  21  -0.920  -5.856   3.307
  132    H    LYS  22           H        LYS  22  -1.381  -4.431  -0.307
  133    HA   LYS  22           HA       LYS  22  -4.204  -4.997  -0.281
  134   1HB   LYS  22          2HB       LYS  22  -2.592  -4.235  -2.171
  135   2HB   LYS  22          1HB       LYS  22  -2.238  -5.954  -2.362
  136   1HG   LYS  22          2HG       LYS  22  -4.018  -5.538  -3.879
  137   2HG   LYS  22          1HG       LYS  22  -4.789  -6.290  -2.482
  138   1HD   LYS  22          2HD       LYS  22  -5.480  -4.121  -1.628
  139   2HD   LYS  22          1HD       LYS  22  -4.585  -3.294  -2.903
  140   1HE   LYS  22          2HE       LYS  22  -6.380  -3.452  -4.273
  141   2HE   LYS  22          1HE       LYS  22  -6.353  -5.219  -4.118
  142   1HZ   LYS  22          1HZ       LYS  22  -7.508  -5.011  -1.996
  143   2HZ   LYS  22          2HZ       LYS  22  -8.422  -4.314  -3.246
  144   3HZ   LYS  22          3HZ       LYS  22  -7.559  -3.324  -2.167
  145    HA   PRO  23           HA       PRO  23  -3.876  -9.195   1.216
  146   1HB   PRO  23          2HB       PRO  23  -6.540  -9.797   0.987
  147   2HB   PRO  23          1HB       PRO  23  -5.880  -8.823   2.316
  148   1HG   PRO  23          2HG       PRO  23  -7.290  -7.947  -0.155
  149   2HG   PRO  23          1HG       PRO  23  -7.408  -7.319   1.496
  150   1HD   PRO  23          2HD       PRO  23  -5.970  -6.101  -0.469
  151   2HD   PRO  23          1HD       PRO  23  -5.572  -5.974   1.258
  152    H    THR  24           H        THR  24  -5.853  -8.405  -1.664
  153    HA   THR  24           HA       THR  24  -5.810 -11.025  -2.842
  154    HB   THR  24           HB       THR  24  -6.036  -8.277  -4.125
  155    HG1  THR  24           1HG      THR  24  -7.935  -9.982  -2.892
  156   1HG2  THR  24          1HG2      THR  24  -7.383 -10.808  -5.041
  157   2HG2  THR  24          2HG2      THR  24  -5.742 -10.427  -5.562
  158   3HG2  THR  24          3HG2      THR  24  -7.067  -9.331  -5.951
  159    H    LEU  25           H        LEU  25  -3.765  -8.127  -3.413
  160    HA   LEU  25           HA       LEU  25  -1.850  -9.868  -4.921
  161   1HB   LEU  25          2HB       LEU  25  -2.313  -6.862  -4.879
  162   2HB   LEU  25          1HB       LEU  25  -1.086  -7.669  -5.855
  163    HG   LEU  25           HG       LEU  25  -4.083  -8.099  -6.045
  164   1HD1  LEU  25          1HD1      LEU  25  -3.955  -6.956  -8.131
  165   2HD1  LEU  25          2HD1      LEU  25  -2.193  -7.015  -8.140
  166   3HD1  LEU  25          3HD1      LEU  25  -3.033  -5.963  -7.003
  167   1HD2  LEU  25          1HD2      LEU  25  -3.108 -10.194  -6.572
  168   2HD2  LEU  25          2HD2      LEU  25  -1.717  -9.446  -7.357
  169   3HD2  LEU  25          3HD2      LEU  25  -3.297  -9.410  -8.141
  170    H    LYS  26           H        LYS  26  -0.082  -7.226  -4.290
  171    HA   LYS  26           HA       LYS  26   0.585  -7.660  -1.465
  172   1HB   LYS  26          2HB       LYS  26   1.872  -9.101  -3.668
  173   2HB   LYS  26          1HB       LYS  26   3.036  -8.203  -2.697
  174   1HG   LYS  26          2HG       LYS  26   1.069  -9.553  -1.022
  175   2HG   LYS  26          1HG       LYS  26   1.926 -10.690  -2.062
  176   1HD   LYS  26          2HD       LYS  26   3.675  -8.661  -0.847
  177   2HD   LYS  26          1HD       LYS  26   2.887  -9.712   0.329
  178   1HE   LYS  26          2HE       LYS  26   3.703 -11.705  -0.908
  179   2HE   LYS  26          1HE       LYS  26   4.525 -10.636  -2.062
  180   1HZ   LYS  26          1HZ       LYS  26   5.726  -9.629  -0.209
  181   2HZ   LYS  26          2HZ       LYS  26   6.033 -11.298  -0.290
  182   3HZ   LYS  26          3HZ       LYS  26   4.965 -10.683   0.880
  183    H    TYR  27           H        TYR  27  -0.174  -5.284  -2.546
  184    HA   TYR  27           HA       TYR  27   2.367  -3.714  -2.555
  185   1HB   TYR  27          2HB       TYR  27   1.662  -2.480  -4.499
  186   2HB   TYR  27          1HB       TYR  27   1.470  -4.187  -4.892
  187    HD1  TYR  27           1HD      TYR  27  -0.294  -1.055  -4.045
  188    HD2  TYR  27           2HD      TYR  27  -0.737  -5.186  -5.138
  189    HE1  TYR  27           1HE      TYR  27  -2.695  -0.670  -4.522
  190    HE2  TYR  27           2HE      TYR  27  -3.138  -4.798  -5.614
  191    HH   TYR  27           HH       TYR  27  -4.525  -2.506  -6.319
  192    H    CYS  28           H        CYS  28   1.867  -1.325  -2.142
  193    HA   CYS  28           HA       CYS  28  -0.051  -1.130   0.071
  194   1HB   CYS  28          2HB       CYS  28   1.665   0.997  -1.258
  195   2HB   CYS  28          1HB       CYS  28   0.954   1.076   0.355
  196    H    ALA  29           H        ALA  29  -2.157  -0.618  -0.252
  197    HA   ALA  29           HA       ALA  29  -2.951   0.794  -2.761
  198   1HB   ALA  29          1HB       ALA  29  -3.898  -1.449  -2.109
  199   2HB   ALA  29          2HB       ALA  29  -5.129  -0.200  -2.301
  200   3HB   ALA  29          3HB       ALA  29  -4.605  -0.682  -0.686
  201    H    TRP  30           H        TRP  30  -3.166   2.995  -2.493
  202    HA   TRP  30           HA       TRP  30  -3.298   4.352   0.014
  203   1HB   TRP  30          2HB       TRP  30  -2.611   5.243  -2.243
  204   2HB   TRP  30          1HB       TRP  30  -4.316   5.276  -2.691
  205    HD1  TRP  30           HD       TRP  30  -5.870   7.078  -1.534
  206    HE1  TRP  30           1HE      TRP  30  -5.344   9.239  -0.232
  207    HE3  TRP  30           3HE      TRP  30  -0.909   6.345  -0.594
  208    HZ2  TRP  30           2HZ      TRP  30  -3.104  10.491   1.044
  209    HZ3  TRP  30           3HZ      TRP  30   0.398   8.032   0.664
  210    HH2  TRP  30           HH       TRP  30  -0.692  10.103   1.484
  211    H    ASP  31           H        ASP  31  -4.982   4.260   1.443
  212    HA   ASP  31           HA       ASP  31  -7.772   4.196   0.343
  213   1HB   ASP  31          2HB       ASP  31  -8.265   2.853   2.448
  214   2HB   ASP  31          1HB       ASP  31  -7.217   2.041   1.288
  215    H    GLY  32           H        GLY  32  -6.426   6.599   0.891
  216   1HA   GLY  32          2HA       GLY  32  -7.542   7.497   3.510
  217   2HA   GLY  32          1HA       GLY  32  -6.301   8.353   2.594
  218    H    THR  33           H        THR  33  -7.389   8.436   0.067
  219    HA   THR  33           HA       THR  33  -9.301  10.582   0.272
  220    HB   THR  33           HB       THR  33  -9.376  10.075  -2.283
  221    HG1  THR  33           1HG      THR  33  -7.956   8.604  -2.996
  222   1HG2  THR  33          1HG2      THR  33  -7.952  11.811  -2.071
  223   2HG2  THR  33          2HG2      THR  33  -6.651  10.621  -2.080
  224   3HG2  THR  33          3HG2      THR  33  -7.313  11.189  -0.549
  225    H    PHE  34           H        PHE  34  -9.624   7.106  -0.285
  226    HA   PHE  34           HA       PHE  34 -12.285   7.008  -1.295
  227   1HB   PHE  34          2HB       PHE  34 -10.772   5.117   0.542
  228   2HB   PHE  34          1HB       PHE  34 -12.241   4.695  -0.331
  229    HD1  PHE  34           1HD      PHE  34  -9.477   3.351  -0.573
  230    HD2  PHE  34           2HD      PHE  34 -11.396   6.462  -2.834
  231    HE1  PHE  34           1HE      PHE  34  -8.127   2.741  -2.561
  232    HE2  PHE  34           2HE      PHE  34 -10.042   5.851  -4.819
  233    HZ   PHE  34           HZ       PHE  34  -8.410   3.990  -4.683
  Start of MODEL    3
    1   1H    GLU   1          1HT       GLU   1  12.483   6.542   4.559
    2   2H    GLU   1          2HT       GLU   1  10.814   6.771   4.373
    3   3H    GLU   1          3HT       GLU   1  11.905   7.733   3.503
    4    HA   GLU   1           HA       GLU   1  11.612   6.307   1.815
    5   1HB   GLU   1          2HB       GLU   1  13.134   4.364   1.993
    6   2HB   GLU   1          1HB       GLU   1  13.865   5.802   2.699
    7   1HG   GLU   1          2HG       GLU   1  13.865   4.925   4.800
    8   2HG   GLU   1          1HG       GLU   1  12.280   4.179   4.595
    9    H    CYS   2           H        CYS   2   9.208   6.254   2.967
   10    HA   CYS   2           HA       CYS   2   8.416   3.554   3.835
   11   1HB   CYS   2          2HB       CYS   2   6.211   4.619   4.037
   12   2HB   CYS   2          1HB       CYS   2   7.445   5.663   4.740
   13    H    ARG   3           H        ARG   3   6.402   2.590   2.666
   14    HA   ARG   3           HA       ARG   3   7.028   2.426  -0.234
   15   1HB   ARG   3          2HB       ARG   3   6.578   0.538   1.633
   16   2HB   ARG   3          1HB       ARG   3   4.920   0.775   1.080
   17   1HG   ARG   3          2HG       ARG   3   5.724  -0.897  -0.367
   18   2HG   ARG   3          1HG       ARG   3   5.924   0.578  -1.312
   19   1HD   ARG   3          2HD       ARG   3   8.291   0.327   0.226
   20   2HD   ARG   3          1HD       ARG   3   7.959  -1.282  -0.441
   21    HE   ARG   3           HE       ARG   3   7.517   0.737  -2.452
   22   1HH1  ARG   3          1HH1      ARG   3   9.060  -1.954  -2.579
   23   2HH1  ARG   3          2HH1      ARG   3  10.637  -1.383  -3.010
   24   1HH2  ARG   3          1HH2      ARG   3   9.946   1.926  -2.207
   25   2HH2  ARG   3          2HH2      ARG   3  11.140   0.820  -2.798
   26    H    LYS   4           H        LYS   4   5.827   3.599  -1.654
   27    HA   LYS   4           HA       LYS   4   3.231   4.759  -0.775
   28   1HB   LYS   4          2HB       LYS   4   5.272   5.260  -2.932
   29   2HB   LYS   4          1HB       LYS   4   3.647   5.930  -3.094
   30   1HG   LYS   4          2HG       LYS   4   3.923   6.902  -0.771
   31   2HG   LYS   4          1HG       LYS   4   5.616   6.417  -0.846
   32   1HD   LYS   4          2HD       LYS   4   6.155   8.140  -2.207
   33   2HD   LYS   4          1HD       LYS   4   4.759   7.857  -3.247
   34   1HE   LYS   4          2HE       LYS   4   4.275   9.036  -0.528
   35   2HE   LYS   4          1HE       LYS   4   4.914  10.087  -1.806
   36   1HZ   LYS   4          1HZ       LYS   4   2.295   9.333  -1.503
   37   2HZ   LYS   4          2HZ       LYS   4   2.851   8.351  -2.772
   38   3HZ   LYS   4          3HZ       LYS   4   2.977  10.042  -2.882
   39    H    MET   5           H        MET   5   1.866   5.014  -3.116
   40    HA   MET   5           HA       MET   5   0.527   2.564  -3.516
   41   1HB   MET   5          2HB       MET   5   0.216   5.158  -4.258
   42   2HB   MET   5          1HB       MET   5   0.709   4.459  -5.801
   43   1HG   MET   5          2HG       MET   5  -1.065   2.685  -5.451
   44   2HG   MET   5          1HG       MET   5  -1.635   3.628  -4.074
   45   1HE   MET   5          1HE       MET   5  -3.418   3.024  -7.117
   46   2HE   MET   5          2HE       MET   5  -4.404   4.322  -6.450
   47   3HE   MET   5          3HE       MET   5  -3.666   3.142  -5.369
   48    H    PHE   6           H        PHE   6   0.828   0.837  -4.924
   49    HA   PHE   6           HA       PHE   6   1.981  -0.648  -6.350
   50   1HB   PHE   6          2HB       PHE   6   2.712   1.995  -7.661
   51   2HB   PHE   6          1HB       PHE   6   2.744   0.415  -8.438
   52    HD1  PHE   6           1HD      PHE   6   0.970   3.229  -8.616
   53    HD2  PHE   6           2HD      PHE   6   0.294  -0.875  -7.541
   54    HE1  PHE   6           1HE      PHE   6  -1.427   3.471  -9.199
   55    HE2  PHE   6           2HE      PHE   6  -2.103  -0.631  -8.123
   56    HZ   PHE   6           HZ       PHE   6  -2.964   1.542  -8.953
   57    H    GLY   7           H        GLY   7   3.416  -0.087  -4.005
   58   1HA   GLY   7          2HA       GLY   7   6.222   0.348  -4.940
   59   2HA   GLY   7          1HA       GLY   7   5.676   0.548  -3.275
   60    H    GLY   8           H        GLY   8   4.166  -1.860  -3.045
   61   1HA   GLY   8          2HA       GLY   8   4.518  -4.287  -3.286
   62   2HA   GLY   8          1HA       GLY   8   6.248  -3.968  -3.429
   63    H    CYS   9           H        CYS   9   3.879  -4.956  -1.302
   64    HA   CYS   9           HA       CYS   9   5.641  -4.350   1.046
   65   1HB   CYS   9          2HB       CYS   9   3.507  -3.937   2.311
   66   2HB   CYS   9          1HB       CYS   9   3.796  -2.766   1.025
   67    H    SER  10           H        SER  10   4.478  -5.678   3.009
   68    HA   SER  10           HA       SER  10   3.835  -8.438   2.035
   69   1HB   SER  10          2HB       SER  10   6.089  -7.406   3.658
   70   2HB   SER  10          1HB       SER  10   5.315  -8.850   4.305
   71    HG   SER  10           HG       SER  10   6.662  -8.451   1.874
   72    H    VAL  11           H        VAL  11   4.125  -6.491   5.040
   73    HA   VAL  11           HA       VAL  11   1.634  -7.779   6.070
   74    HB   VAL  11           HB       VAL  11   3.546  -5.917   7.507
   75   1HG1  VAL  11          1HG1      VAL  11   1.628  -6.244   8.822
   76   2HG1  VAL  11          2HG1      VAL  11   2.737  -7.473   9.426
   77   3HG1  VAL  11          3HG1      VAL  11   1.448  -7.921   8.309
   78   1HG2  VAL  11          1HG2      VAL  11   4.972  -7.664   6.692
   79   2HG2  VAL  11          2HG2      VAL  11   3.759  -8.900   7.028
   80   3HG2  VAL  11          3HG2      VAL  11   4.588  -8.092   8.358
   81    H    ASP  12           H        ASP  12   0.056  -6.255   7.143
   82    HA   ASP  12           HA       ASP  12  -0.814  -4.187   5.432
   83   1HB   ASP  12          2HB       ASP  12  -1.725  -5.557   7.651
   84   2HB   ASP  12          1HB       ASP  12  -1.564  -3.909   8.257
   85    H    SER  13           H        SER  13   1.185  -4.036   8.363
   86    HA   SER  13           HA       SER  13   1.398  -1.086   8.211
   87   1HB   SER  13          2HB       SER  13   1.172  -2.658  10.288
   88   2HB   SER  13          1HB       SER  13   2.897  -2.933  10.064
   89    HG   SER  13           HG       SER  13   2.653  -1.190  11.422
   90    H    ASP  14           H        ASP  14   2.495  -2.109   5.880
   91    HA   ASP  14           HA       ASP  14   5.444  -1.780   6.344
   92   1HB   ASP  14          2HB       ASP  14   3.867  -3.915   5.052
   93   2HB   ASP  14          1HB       ASP  14   5.234  -3.352   4.093
   94    H    CYS  15           H        CYS  15   3.251   0.144   5.491
   95    HA   CYS  15           HA       CYS  15   4.551   1.056   2.954
   96   1HB   CYS  15          2HB       CYS  15   1.578   0.905   3.543
   97   2HB   CYS  15          1HB       CYS  15   2.296   1.547   2.068
   98    H    CYS  16           H        CYS  16   3.406   3.402   2.511
   99    HA   CYS  16           HA       CYS  16   4.155   5.061   4.802
  100   1HB   CYS  16          2HB       CYS  16   4.093   5.302   2.046
  101   2HB   CYS  16          1HB       CYS  16   2.722   6.295   2.540
  102    H    ALA  17           H        ALA  17   2.392   7.071   4.993
  103    HA   ALA  17           HA       ALA  17   0.202   6.033   6.485
  104   1HB   ALA  17          1HB       ALA  17   1.273   8.235   6.812
  105   2HB   ALA  17          2HB       ALA  17  -0.463   8.416   6.556
  106   3HB   ALA  17          3HB       ALA  17   0.664   8.761   5.243
  107    H    HIS  18           H        HIS  18  -2.029   5.915   5.955
  108    HA   HIS  18           HA       HIS  18  -3.932   5.648   4.593
  109   1HB   HIS  18          2HB       HIS  18  -2.411   7.454   2.686
  110   2HB   HIS  18          1HB       HIS  18  -4.157   7.250   2.790
  111    HD1  HIS  18           1HD      HIS  18  -4.956   7.698   5.539
  112    HD2  HIS  18           2HD      HIS  18  -1.699   9.778   3.977
  113    HE1  HIS  18           1HE      HIS  18  -4.622   9.723   7.022
  114    H    LEU  19           H        LEU  19  -1.377   3.943   4.188
  115    HA   LEU  19           HA       LEU  19  -2.149   2.855   1.499
  116   1HB   LEU  19          2HB       LEU  19   0.497   3.503   2.749
  117   2HB   LEU  19          1HB       LEU  19   0.411   2.137   1.638
  118    HG   LEU  19           HG       LEU  19  -0.935   4.627   0.753
  119   1HD1  LEU  19          1HD1      LEU  19   1.305   5.488  -0.090
  120   2HD1  LEU  19          2HD1      LEU  19   2.067   4.358   1.028
  121   3HD1  LEU  19          3HD1      LEU  19   1.041   5.652   1.645
  122   1HD2  LEU  19          1HD2      LEU  19  -0.590   2.353  -0.482
  123   2HD2  LEU  19          2HD2      LEU  19   1.051   2.937  -0.757
  124   3HD2  LEU  19          3HD2      LEU  19  -0.324   3.846  -1.380
  125    H    GLY  20           H        GLY  20  -3.147   0.918   1.891
  126   1HA   GLY  20          2HA       GLY  20  -2.188  -0.746   4.178
  127   2HA   GLY  20          1HA       GLY  20  -3.781  -0.879   3.435
  128    H    CYS  21           H        CYS  21  -1.178  -2.673   3.747
  129    HA   CYS  21           HA       CYS  21  -0.329  -3.346   1.084
  130   1HB   CYS  21          2HB       CYS  21   0.692  -3.891   3.390
  131   2HB   CYS  21          1HB       CYS  21  -0.471  -5.216   3.462
  132    H    LYS  22           H        LYS  22  -1.454  -4.414  -0.483
  133    HA   LYS  22           HA       LYS  22  -4.138  -5.421  -0.003
  134   1HB   LYS  22          2HB       LYS  22  -2.209  -5.181  -2.285
  135   2HB   LYS  22          1HB       LYS  22  -3.623  -6.216  -2.484
  136   1HG   LYS  22          2HG       LYS  22  -4.372  -3.707  -1.242
  137   2HG   LYS  22          1HG       LYS  22  -3.531  -3.416  -2.762
  138   1HD   LYS  22          2HD       LYS  22  -5.751  -3.677  -3.467
  139   2HD   LYS  22          1HD       LYS  22  -5.091  -5.296  -3.698
  140   1HE   LYS  22          2HE       LYS  22  -7.048  -5.794  -2.516
  141   2HE   LYS  22          1HE       LYS  22  -5.906  -5.609  -1.172
  142   1HZ   LYS  22          1HZ       LYS  22  -7.577  -3.426  -2.309
  143   2HZ   LYS  22          2HZ       LYS  22  -6.508  -3.287  -0.994
  144   3HZ   LYS  22          3HZ       LYS  22  -7.904  -4.245  -0.861
  145    HA   PRO  23           HA       PRO  23  -2.714  -9.485   1.228
  146   1HB   PRO  23          2HB       PRO  23  -5.210 -10.566   1.555
  147   2HB   PRO  23          1HB       PRO  23  -4.448  -9.504   2.757
  148   1HG   PRO  23          2HG       PRO  23  -6.499  -8.862   0.692
  149   2HG   PRO  23          1HG       PRO  23  -6.373  -8.307   2.370
  150   1HD   PRO  23          2HD       PRO  23  -5.635  -6.781   0.252
  151   2HD   PRO  23          1HD       PRO  23  -4.869  -6.652   1.850
  152    H    THR  24           H        THR  24  -5.255  -8.927  -1.220
  153    HA   THR  24           HA       THR  24  -5.174 -11.500  -2.478
  154    HB   THR  24           HB       THR  24  -6.127 -10.147  -4.416
  155    HG1  THR  24           1HG      THR  24  -6.256  -7.950  -2.712
  156   1HG2  THR  24          1HG2      THR  24  -7.928 -10.805  -3.213
  157   2HG2  THR  24          2HG2      THR  24  -7.965  -9.136  -2.644
  158   3HG2  THR  24          3HG2      THR  24  -7.172 -10.381  -1.677
  159    H    LEU  25           H        LEU  25  -3.437  -8.457  -3.201
  160    HA   LEU  25           HA       LEU  25  -1.615  -9.979  -5.024
  161   1HB   LEU  25          2HB       LEU  25  -2.523  -7.107  -4.768
  162   2HB   LEU  25          1HB       LEU  25  -1.080  -7.513  -5.697
  163    HG   LEU  25           HG       LEU  25  -3.640  -9.009  -6.187
  164   1HD1  LEU  25          1HD1      LEU  25  -3.342  -6.965  -8.142
  165   2HD1  LEU  25          2HD1      LEU  25  -3.272  -6.183  -6.563
  166   3HD1  LEU  25          3HD1      LEU  25  -4.664  -7.175  -6.994
  167   1HD2  LEU  25          1HD2      LEU  25  -1.462  -9.760  -7.164
  168   2HD2  LEU  25          2HD2      LEU  25  -1.327  -8.202  -7.981
  169   3HD2  LEU  25          3HD2      LEU  25  -2.639  -9.305  -8.397
  170    H    LYS  26           H        LYS  26   0.014  -7.221  -4.378
  171    HA   LYS  26           HA       LYS  26   1.036  -7.753  -1.697
  172   1HB   LYS  26          2HB       LYS  26   2.101  -9.099  -4.059
  173   2HB   LYS  26          1HB       LYS  26   3.347  -8.152  -3.248
  174   1HG   LYS  26          2HG       LYS  26   1.821  -9.482  -1.233
  175   2HG   LYS  26          1HG       LYS  26   2.249 -10.674  -2.461
  176   1HD   LYS  26          2HD       LYS  26   4.390  -8.780  -1.619
  177   2HD   LYS  26          1HD       LYS  26   3.919 -10.019  -0.458
  178   1HE   LYS  26          2HE       LYS  26   4.491 -10.764  -3.331
  179   2HE   LYS  26          1HE       LYS  26   5.806 -10.620  -2.148
  180   1HZ   LYS  26          1HZ       LYS  26   4.453 -12.064  -0.653
  181   2HZ   LYS  26          2HZ       LYS  26   5.006 -12.848  -2.054
  182   3HZ   LYS  26          3HZ       LYS  26   3.390 -12.339  -1.947
  183    H    TYR  27           H        TYR  27   0.065  -5.385  -2.652
  184    HA   TYR  27           HA       TYR  27   2.512  -3.691  -2.771
  185   1HB   TYR  27          2HB       TYR  27   1.810  -2.583  -4.753
  186   2HB   TYR  27          1HB       TYR  27   1.516  -4.287  -5.085
  187    HD1  TYR  27           1HD      TYR  27   0.037  -1.010  -4.754
  188    HD2  TYR  27           2HD      TYR  27  -0.838  -5.217  -4.737
  189    HE1  TYR  27           1HE      TYR  27  -2.360  -0.514  -5.142
  190    HE2  TYR  27           2HE      TYR  27  -3.235  -4.718  -5.125
  191    HH   TYR  27           HH       TYR  27  -4.406  -2.139  -6.312
  192    H    CYS  28           H        CYS  28   2.049  -1.436  -2.141
  193    HA   CYS  28           HA       CYS  28   0.049  -1.262  -0.024
  194   1HB   CYS  28          2HB       CYS  28   1.758   0.902  -1.292
  195   2HB   CYS  28          1HB       CYS  28   1.038   0.935   0.316
  196    H    ALA  29           H        ALA  29  -1.998  -0.415  -0.179
  197    HA   ALA  29           HA       ALA  29  -2.827   0.745  -2.812
  198   1HB   ALA  29          1HB       ALA  29  -4.570  -0.310  -0.572
  199   2HB   ALA  29          2HB       ALA  29  -3.859  -1.373  -1.786
  200   3HB   ALA  29          3HB       ALA  29  -4.995  -0.115  -2.273
  201    H    TRP  30           H        TRP  30  -2.960   2.958  -2.781
  202    HA   TRP  30           HA       TRP  30  -3.107   4.482  -0.300
  203   1HB   TRP  30          2HB       TRP  30  -1.914   5.170  -2.395
  204   2HB   TRP  30          1HB       TRP  30  -3.478   5.342  -3.191
  205    HD1  TRP  30           HD       TRP  30  -4.996   7.386  -2.515
  206    HE1  TRP  30           1HE      TRP  30  -4.530   9.552  -1.192
  207    HE3  TRP  30           3HE      TRP  30  -0.515   6.177  -0.413
  208    HZ2  TRP  30           2HZ      TRP  30  -2.507  10.627   0.532
  209    HZ3  TRP  30           3HZ      TRP  30   0.663   7.779   1.062
  210    HH2  TRP  30           HH       TRP  30  -0.325  10.002   1.536
  211    H    ASP  31           H        ASP  31  -4.996   4.776   0.803
  212    HA   ASP  31           HA       ASP  31  -7.512   5.228  -0.743
  213   1HB   ASP  31          2HB       ASP  31  -8.581   3.753   1.134
  214   2HB   ASP  31          1HB       ASP  31  -7.727   2.944  -0.178
  215    H    GLY  32           H        GLY  32  -5.996   7.258   0.395
  216   1HA   GLY  32          2HA       GLY  32  -7.497   7.942   2.895
  217   2HA   GLY  32          1HA       GLY  32  -5.896   8.573   2.507
  218    H    THR  33           H        THR  33  -8.644   8.284   0.272
  219    HA   THR  33           HA       THR  33  -8.736  11.276   0.122
  220    HB   THR  33           HB       THR  33  -9.247   9.536  -2.264
  221    HG1  THR  33           1HG      THR  33  -6.672  10.221  -1.280
  222   1HG2  THR  33          1HG2      THR  33  -7.537  11.904  -2.467
  223   2HG2  THR  33          2HG2      THR  33  -9.132  12.249  -1.798
  224   3HG2  THR  33          3HG2      THR  33  -8.985  11.480  -3.378
  225    H    PHE  34           H        PHE  34 -10.541   8.455   0.735
  226    HA   PHE  34           HA       PHE  34 -13.075   9.973   0.467
  227   1HB   PHE  34          2HB       PHE  34 -14.085   8.186  -0.890
  228   2HB   PHE  34          1HB       PHE  34 -12.658   8.823  -1.701
  229    HD1  PHE  34           1HD      PHE  34 -14.096   5.942   0.079
  230    HD2  PHE  34           2HD      PHE  34 -10.577   7.511  -1.824
  231    HE1  PHE  34           1HE      PHE  34 -13.101   3.671   0.044
  232    HE2  PHE  34           2HE      PHE  34  -9.584   5.239  -1.858
  233    HZ   PHE  34           HZ       PHE  34 -10.846   3.320  -0.923
  Start of MODEL    4
    1   1H    GLU   1          1HT       GLU   1  11.962   5.821   0.933
    2   2H    GLU   1          2HT       GLU   1  12.430   4.817   2.221
    3   3H    GLU   1          3HT       GLU   1  13.047   6.395   2.105
    4    HA   GLU   1           HA       GLU   1  11.389   6.523   3.764
    5   1HB   GLU   1          2HB       GLU   1  10.412   7.385   1.020
    6   2HB   GLU   1          1HB       GLU   1   9.704   7.951   2.531
    7   1HG   GLU   1          2HG       GLU   1  12.572   8.349   1.626
    8   2HG   GLU   1          1HG       GLU   1  11.328   9.593   1.755
    9    H    CYS   2           H        CYS   2   8.690   6.537   3.688
   10    HA   CYS   2           HA       CYS   2   7.906   3.802   3.943
   11   1HB   CYS   2          2HB       CYS   2   5.743   4.735   4.384
   12   2HB   CYS   2          1HB       CYS   2   6.906   5.929   4.956
   13    H    ARG   3           H        ARG   3   6.356   2.595   2.608
   14    HA   ARG   3           HA       ARG   3   6.950   2.707  -0.223
   15   1HB   ARG   3          2HB       ARG   3   6.258   0.753   1.394
   16   2HB   ARG   3          1HB       ARG   3   4.616   1.243   0.986
   17   1HG   ARG   3          2HG       ARG   3   5.434  -0.550  -0.518
   18   2HG   ARG   3          1HG       ARG   3   5.090   0.935  -1.402
   19   1HD   ARG   3          2HD       ARG   3   7.276  -0.152  -2.062
   20   2HD   ARG   3          1HD       ARG   3   7.476   1.503  -1.455
   21    HE   ARG   3           HE       ARG   3   7.940  -0.944   0.216
   22   1HH1  ARG   3          1HH2      ARG   3   9.960   1.113  -1.149
   23   2HH1  ARG   3          2HH2      ARG   3  10.519   1.921   0.278
   24   1HH2  ARG   3          1HH1      ARG   3   8.018   0.635   2.315
   25   2HH2  ARG   3          2HH1      ARG   3   9.418   1.651   2.240
   26    H    LYS   4           H        LYS   4   5.833   3.720  -1.844
   27    HA   LYS   4           HA       LYS   4   3.521   5.433  -1.108
   28   1HB   LYS   4          2HB       LYS   4   5.458   5.165  -3.406
   29   2HB   LYS   4          1HB       LYS   4   3.990   6.120  -3.597
   30   1HG   LYS   4          2HG       LYS   4   5.232   7.814  -2.727
   31   2HG   LYS   4          1HG       LYS   4   4.915   7.028  -1.179
   32   1HD   LYS   4          2HD       LYS   4   7.021   6.025  -1.103
   33   2HD   LYS   4          1HD       LYS   4   7.231   6.101  -2.852
   34   1HE   LYS   4          2HE       LYS   4   7.268   8.669  -2.570
   35   2HE   LYS   4          1HE       LYS   4   7.503   8.346  -0.842
   36   1HZ   LYS   4          1HZ       LYS   4   9.601   8.492  -2.195
   37   2HZ   LYS   4          2HZ       LYS   4   9.131   7.051  -2.960
   38   3HZ   LYS   4          3HZ       LYS   4   9.427   7.072  -1.287
   39    H    MET   5           H        MET   5   2.028   5.539  -3.372
   40    HA   MET   5           HA       MET   5   0.400   3.186  -3.310
   41   1HB   MET   5          2HB       MET   5   0.164   5.747  -4.190
   42   2HB   MET   5          1HB       MET   5   0.375   4.912  -5.729
   43   1HG   MET   5          2HG       MET   5  -1.420   3.266  -4.861
   44   2HG   MET   5          1HG       MET   5  -1.777   4.504  -3.657
   45   1HE   MET   5          1HE       MET   5  -3.906   4.418  -4.230
   46   2HE   MET   5          2HE       MET   5  -4.735   5.050  -5.650
   47   3HE   MET   5          3HE       MET   5  -4.061   6.164  -4.465
   48    H    PHE   6           H        PHE   6   0.381   1.352  -4.605
   49    HA   PHE   6           HA       PHE   6   1.232  -0.313  -6.040
   50   1HB   PHE   6          2HB       PHE   6   1.621   2.271  -7.572
   51   2HB   PHE   6          1HB       PHE   6   1.933   0.695  -8.297
   52    HD1  PHE   6           1HD      PHE   6   0.120  -0.874  -8.752
   53    HD2  PHE   6           2HD      PHE   6  -0.651   2.941  -6.934
   54    HE1  PHE   6           1HE      PHE   6  -2.303  -1.154  -9.194
   55    HE2  PHE   6           2HE      PHE   6  -3.075   2.661  -7.376
   56    HZ   PHE   6           HZ       PHE   6  -3.901   0.613  -8.506
   57    H    GLY   7           H        GLY   7   3.039   0.392  -3.995
   58   1HA   GLY   7          2HA       GLY   7   5.686   0.560  -5.361
   59   2HA   GLY   7          1HA       GLY   7   5.408   0.894  -3.653
   60    H    GLY   8           H        GLY   8   3.591  -1.640  -3.660
   61   1HA   GLY   8          2HA       GLY   8   3.954  -4.027  -3.695
   62   2HA   GLY   8          1HA       GLY   8   5.686  -3.736  -3.879
   63    H    CYS   9           H        CYS   9   3.578  -4.947  -1.722
   64    HA   CYS   9           HA       CYS   9   5.343  -4.252   0.579
   65   1HB   CYS   9          2HB       CYS   9   3.317  -3.713   1.931
   66   2HB   CYS   9          1HB       CYS   9   3.525  -2.605   0.577
   67    H    SER  10           H        SER  10   4.293  -5.550   2.598
   68    HA   SER  10           HA       SER  10   3.442  -8.266   1.666
   69   1HB   SER  10          2HB       SER  10   5.084  -9.118   3.429
   70   2HB   SER  10          1HB       SER  10   5.815  -8.390   2.003
   71    HG   SER  10           HG       SER  10   6.539  -6.805   3.198
   72    H    VAL  11           H        VAL  11   3.924  -6.178   4.547
   73    HA   VAL  11           HA       VAL  11   1.455  -7.405   5.740
   74    HB   VAL  11           HB       VAL  11   3.840  -6.146   7.142
   75   1HG1  VAL  11          1HG1      VAL  11   2.065  -6.137   8.671
   76   2HG1  VAL  11          2HG1      VAL  11   2.836  -7.688   9.007
   77   3HG1  VAL  11          3HG1      VAL  11   1.373  -7.625   8.024
   78   1HG2  VAL  11          1HG2      VAL  11   3.287  -8.973   6.259
   79   2HG2  VAL  11          2HG2      VAL  11   4.238  -8.675   7.714
   80   3HG2  VAL  11          3HG2      VAL  11   4.790  -8.056   6.158
   81    H    ASP  12           H        ASP  12   0.355  -5.801   7.306
   82    HA   ASP  12           HA       ASP  12  -0.418  -3.429   5.979
   83   1HB   ASP  12          2HB       ASP  12  -1.732  -4.606   7.691
   84   2HB   ASP  12          1HB       ASP  12  -0.527  -4.192   8.911
   85    H    SER  13           H        SER  13   2.153  -4.011   8.338
   86    HA   SER  13           HA       SER  13   2.742  -1.122   8.604
   87   1HB   SER  13          2HB       SER  13   3.830  -3.689   9.778
   88   2HB   SER  13          1HB       SER  13   4.558  -2.121  10.118
   89    HG   SER  13           HG       SER  13   3.050  -2.449  11.687
   90    H    ASP  14           H        ASP  14   3.063  -2.081   5.921
   91    HA   ASP  14           HA       ASP  14   6.053  -2.028   5.629
   92   1HB   ASP  14          2HB       ASP  14   4.122  -3.934   4.821
   93   2HB   ASP  14          1HB       ASP  14   4.638  -3.114   3.349
   94    H    CYS  15           H        CYS  15   3.507  -0.007   5.383
   95    HA   CYS  15           HA       CYS  15   4.659   1.422   3.018
   96   1HB   CYS  15          2HB       CYS  15   1.737   0.867   3.616
   97   2HB   CYS  15          1HB       CYS  15   2.321   1.876   2.295
   98    H    CYS  16           H        CYS  16   3.130   3.660   3.007
   99    HA   CYS  16           HA       CYS  16   3.998   5.136   5.343
  100   1HB   CYS  16          2HB       CYS  16   3.044   5.604   2.714
  101   2HB   CYS  16          1HB       CYS  16   1.932   6.444   3.793
  102    H    ALA  17           H        ALA  17   2.212   6.604   6.471
  103    HA   ALA  17           HA       ALA  17   0.409   4.843   7.883
  104   1HB   ALA  17          1HB       ALA  17   0.981   7.811   7.872
  105   2HB   ALA  17          2HB       ALA  17   1.465   6.620   9.080
  106   3HB   ALA  17          3HB       ALA  17  -0.226   7.099   8.943
  107    H    HIS  18           H        HIS  18  -0.625   4.373   5.544
  108    HA   HIS  18           HA       HIS  18  -3.295   5.317   5.514
  109   1HB   HIS  18          2HB       HIS  18  -1.338   7.112   4.412
  110   2HB   HIS  18          1HB       HIS  18  -2.395   6.560   3.112
  111    HD1  HIS  18           1HD      HIS  18  -5.065   6.788   3.672
  112    HD2  HIS  18           2HD      HIS  18  -2.471   9.053   6.024
  113    HE1  HIS  18           1HE      HIS  18  -6.479   8.569   4.791
  114    H    LEU  19           H        LEU  19  -0.611   3.835   3.806
  115    HA   LEU  19           HA       LEU  19  -2.303   2.744   1.656
  116   1HB   LEU  19          2HB       LEU  19   0.592   2.741   2.472
  117   2HB   LEU  19          1HB       LEU  19   0.035   1.581   1.270
  118    HG   LEU  19           HG       LEU  19  -1.041   4.193   0.675
  119   1HD1  LEU  19          1HD1      LEU  19   1.899   3.991   1.280
  120   2HD1  LEU  19          2HD1      LEU  19   0.775   5.291   1.672
  121   3HD1  LEU  19          3HD1      LEU  19   1.331   5.077   0.011
  122   1HD2  LEU  19          1HD2      LEU  19   0.046   3.756  -1.486
  123   2HD2  LEU  19          2HD2      LEU  19  -0.764   2.301  -0.909
  124   3HD2  LEU  19          3HD2      LEU  19   0.988   2.452  -0.763
  125    H    GLY  20           H        GLY  20  -3.284   0.758   1.760
  126   1HA   GLY  20          2HA       GLY  20  -2.609  -1.035   4.052
  127   2HA   GLY  20          1HA       GLY  20  -4.153  -1.029   3.198
  128    H    CYS  21           H        CYS  21  -1.534  -2.894   3.586
  129    HA   CYS  21           HA       CYS  21  -0.798  -3.587   0.867
  130   1HB   CYS  21          2HB       CYS  21   0.398  -3.931   3.170
  131   2HB   CYS  21          1HB       CYS  21  -0.574  -5.400   3.268
  132    H    LYS  22           H        LYS  22  -1.498  -5.352  -0.388
  133    HA   LYS  22           HA       LYS  22  -4.206  -6.393   0.261
  134   1HB   LYS  22          2HB       LYS  22  -2.424  -6.399  -2.193
  135   2HB   LYS  22          1HB       LYS  22  -4.026  -7.136  -2.156
  136   1HG   LYS  22          2HG       LYS  22  -4.072  -4.432  -1.076
  137   2HG   LYS  22          1HG       LYS  22  -3.449  -4.459  -2.727
  138   1HD   LYS  22          2HD       LYS  22  -5.413  -5.660  -3.503
  139   2HD   LYS  22          1HD       LYS  22  -6.017  -5.813  -1.852
  140   1HE   LYS  22          2HE       LYS  22  -5.408  -3.039  -2.735
  141   2HE   LYS  22          1HE       LYS  22  -6.801  -3.814  -3.514
  142   1HZ   LYS  22          1HZ       LYS  22  -7.558  -4.499  -1.279
  143   2HZ   LYS  22          2HZ       LYS  22  -7.525  -2.813  -1.470
  144   3HZ   LYS  22          3HZ       LYS  22  -6.298  -3.595  -0.591
  145    HA   PRO  23           HA       PRO  23  -2.360 -10.262   1.514
  146   1HB   PRO  23          2HB       PRO  23  -4.695 -11.670   1.775
  147   2HB   PRO  23          1HB       PRO  23  -4.128 -10.500   2.983
  148   1HG   PRO  23          2HG       PRO  23  -6.189 -10.180   0.862
  149   2HG   PRO  23          1HG       PRO  23  -6.172  -9.566   2.523
  150   1HD   PRO  23          2HD       PRO  23  -5.590  -8.029   0.346
  151   2HD   PRO  23          1HD       PRO  23  -4.932  -7.724   1.969
  152    H    THR  24           H        THR  24  -5.081 -10.370  -0.841
  153    HA   THR  24           HA       THR  24  -4.248 -12.811  -2.131
  154    HB   THR  24           HB       THR  24  -5.814 -11.856  -3.945
  155    HG1  THR  24           1HG      THR  24  -6.090  -9.794  -3.762
  156   1HG2  THR  24          1HG2      THR  24  -6.583 -13.370  -2.154
  157   2HG2  THR  24          2HG2      THR  24  -7.808 -12.160  -2.537
  158   3HG2  THR  24          3HG2      THR  24  -6.818 -11.983  -1.088
  159    H    LEU  25           H        LEU  25  -3.694  -9.360  -2.829
  160    HA   LEU  25           HA       LEU  25  -1.897 -10.048  -5.102
  161   1HB   LEU  25          2HB       LEU  25  -3.110  -7.490  -4.006
  162   2HB   LEU  25          1HB       LEU  25  -2.011  -7.524  -5.384
  163    HG   LEU  25           HG       LEU  25  -4.111  -9.502  -5.696
  164   1HD1  LEU  25          1HD1      LEU  25  -5.108  -7.439  -4.280
  165   2HD1  LEU  25          2HD1      LEU  25  -6.041  -8.268  -5.526
  166   3HD1  LEU  25          3HD1      LEU  25  -5.228  -6.748  -5.898
  167   1HD2  LEU  25          1HD2      LEU  25  -4.267  -8.512  -7.874
  168   2HD2  LEU  25          2HD2      LEU  25  -2.563  -8.445  -7.427
  169   3HD2  LEU  25          3HD2      LEU  25  -3.562  -6.997  -7.308
  170    H    LYS  26           H        LYS  26  -0.278  -7.607  -4.731
  171    HA   LYS  26           HA       LYS  26   1.106  -8.010  -2.138
  172   1HB   LYS  26          2HB       LYS  26   1.991  -8.963  -4.797
  173   2HB   LYS  26          1HB       LYS  26   3.222  -8.094  -3.882
  174   1HG   LYS  26          2HG       LYS  26   1.922  -9.829  -2.048
  175   2HG   LYS  26          1HG       LYS  26   2.269 -10.780  -3.493
  176   1HD   LYS  26          2HD       LYS  26   4.622  -9.982  -3.432
  177   2HD   LYS  26          1HD       LYS  26   4.266  -9.101  -1.946
  178   1HE   LYS  26          2HE       LYS  26   5.143 -11.113  -1.105
  179   2HE   LYS  26          1HE       LYS  26   3.405 -11.468  -1.111
  180   1HZ   LYS  26          1HZ       LYS  26   5.290 -12.071  -3.333
  181   2HZ   LYS  26          2HZ       LYS  26   3.627 -12.419  -3.316
  182   3HZ   LYS  26          3HZ       LYS  26   4.675 -13.211  -2.239
  183    H    TYR  27           H        TYR  27  -0.278  -5.743  -2.846
  184    HA   TYR  27           HA       TYR  27   1.907  -3.751  -3.047
  185   1HB   TYR  27          2HB       TYR  27   1.009  -2.671  -4.976
  186   2HB   TYR  27          1HB       TYR  27   0.996  -4.388  -5.368
  187    HD1  TYR  27           1HD      TYR  27  -1.003  -1.411  -4.851
  188    HD2  TYR  27           2HD      TYR  27  -1.163  -5.695  -5.125
  189    HE1  TYR  27           1HE      TYR  27  -3.450  -1.295  -5.238
  190    HE2  TYR  27           2HE      TYR  27  -3.608  -5.579  -5.510
  191    HH   TYR  27           HH       TYR  27  -5.430  -2.782  -4.958
  192    H    CYS  28           H        CYS  28   1.295  -1.710  -2.144
  193    HA   CYS  28           HA       CYS  28  -0.937  -1.871  -0.238
  194   1HB   CYS  28          2HB       CYS  28   1.490  -0.266  -0.719
  195   2HB   CYS  28          1HB       CYS  28   0.137   0.657  -0.071
  196    H    ALA  29           H        ALA  29  -2.753  -0.497  -0.241
  197    HA   ALA  29           HA       ALA  29  -3.274   0.953  -2.817
  198   1HB   ALA  29          1HB       ALA  29  -4.579  -1.138  -2.361
  199   2HB   ALA  29          2HB       ALA  29  -5.606   0.292  -2.474
  200   3HB   ALA  29          3HB       ALA  29  -5.208  -0.385  -0.894
  201    H    TRP  30           H        TRP  30  -3.090   3.145  -2.399
  202    HA   TRP  30           HA       TRP  30  -3.340   4.322   0.222
  203   1HB   TRP  30          2HB       TRP  30  -2.056   5.240  -1.734
  204   2HB   TRP  30          1HB       TRP  30  -3.591   5.620  -2.517
  205    HD1  TRP  30           HD       TRP  30  -5.242   7.334  -1.091
  206    HE1  TRP  30           1HE      TRP  30  -4.596   9.365   0.356
  207    HE3  TRP  30           3HE      TRP  30  -0.320   6.280  -0.246
  208    HZ2  TRP  30           2HZ      TRP  30  -2.291  10.408   1.696
  209    HZ3  TRP  30           3HZ      TRP  30   1.076   7.805   1.117
  210    HH2  TRP  30           HH       TRP  30   0.099   9.866   2.088
  211    H    ASP  31           H        ASP  31  -5.208   4.650   1.326
  212    HA   ASP  31           HA       ASP  31  -7.699   5.301  -0.206
  213   1HB   ASP  31          2HB       ASP  31  -7.155   2.886   0.977
  214   2HB   ASP  31          1HB       ASP  31  -7.983   3.732   2.286
  215    H    GLY  32           H        GLY  32  -6.635   7.487   0.571
  216   1HA   GLY  32          2HA       GLY  32  -7.517   8.068   3.368
  217   2HA   GLY  32          1HA       GLY  32  -6.238   8.953   2.532
  218    H    THR  33           H        THR  33  -7.208   9.690   0.188
  219    HA   THR  33           HA       THR  33  -9.293  11.639   0.854
  220    HB   THR  33           HB       THR  33  -7.929  10.946  -1.769
  221    HG1  THR  33           1HG      THR  33  -6.291  11.556  -0.550
  222   1HG2  THR  33          1HG2      THR  33  -9.496  12.419  -2.509
  223   2HG2  THR  33          2HG2      THR  33  -8.417  13.627  -1.810
  224   3HG2  THR  33          3HG2      THR  33  -9.811  13.052  -0.895
  225    H    PHE  34           H        PHE  34  -9.016   8.686  -1.084
  226    HA   PHE  34           HA       PHE  34 -11.997   8.657  -1.374
  227   1HB   PHE  34          2HB       PHE  34 -11.728   7.996  -3.679
  228   2HB   PHE  34          1HB       PHE  34 -10.669   9.381  -3.428
  229    HD1  PHE  34           1HD      PHE  34 -10.837   5.785  -4.091
  230    HD2  PHE  34           2HD      PHE  34  -8.210   9.067  -3.204
  231    HE1  PHE  34           1HE      PHE  34  -8.894   4.421  -4.800
  232    HE2  PHE  34           2HE      PHE  34  -6.265   7.701  -3.914
  233    HZ   PHE  34           HZ       PHE  34  -6.608   5.380  -4.711
  Start of MODEL    5
    1   1H    GLU   1          1HT       GLU   1  12.133   5.087   1.134
    2   2H    GLU   1          2HT       GLU   1  12.747   4.045   2.327
    3   3H    GLU   1          3HT       GLU   1  13.260   5.662   2.263
    4    HA   GLU   1           HA       GLU   1  11.696   5.484   4.054
    5   1HB   GLU   1          2HB       GLU   1  10.827   6.790   1.467
    6   2HB   GLU   1          1HB       GLU   1   9.900   7.009   2.952
    7   1HG   GLU   1          2HG       GLU   1  12.714   7.385   3.494
    8   2HG   GLU   1          1HG       GLU   1  12.215   8.426   2.160
    9    H    CYS   2           H        CYS   2   8.994   5.520   4.065
   10    HA   CYS   2           HA       CYS   2   8.208   2.775   3.956
   11   1HB   CYS   2          2HB       CYS   2   5.945   3.753   4.371
   12   2HB   CYS   2          1HB       CYS   2   7.185   4.447   5.411
   13    H    ARG   3           H        ARG   3   6.538   1.807   2.553
   14    HA   ARG   3           HA       ARG   3   6.969   2.447  -0.280
   15   1HB   ARG   3          2HB       ARG   3   6.408   0.203   1.283
   16   2HB   ARG   3          1HB       ARG   3   4.927   0.459   0.363
   17   1HG   ARG   3          2HG       ARG   3   6.023  -0.698  -1.264
   18   2HG   ARG   3          1HG       ARG   3   6.811   0.848  -1.574
   19   1HD   ARG   3          2HD       ARG   3   8.515   0.091   0.260
   20   2HD   ARG   3          1HD       ARG   3   7.874  -1.534  -0.061
   21    HE   ARG   3           HE       ARG   3   8.496  -1.212  -2.449
   22   1HH1  ARG   3          1HH2      ARG   3   8.773   1.769  -2.444
   23   2HH1  ARG   3          2HH2      ARG   3  10.492   1.979  -2.409
   24   1HH2  ARG   3          1HH1      ARG   3  11.137  -1.284  -1.403
   25   2HH2  ARG   3          2HH1      ARG   3  11.832   0.247  -1.818
   26    H    LYS   4           H        LYS   4   5.485   3.359  -1.685
   27    HA   LYS   4           HA       LYS   4   2.971   4.475  -0.490
   28   1HB   LYS   4          2HB       LYS   4   5.123   5.568  -1.931
   29   2HB   LYS   4          1HB       LYS   4   3.792   5.503  -3.085
   30   1HG   LYS   4          2HG       LYS   4   2.346   6.565  -1.259
   31   2HG   LYS   4          1HG       LYS   4   3.852   6.884  -0.398
   32   1HD   LYS   4          2HD       LYS   4   4.076   7.675  -3.181
   33   2HD   LYS   4          1HD       LYS   4   2.702   8.471  -2.413
   34   1HE   LYS   4          2HE       LYS   4   4.355   9.956  -1.762
   35   2HE   LYS   4          1HE       LYS   4   4.553   8.778  -0.450
   36   1HZ   LYS   4          1HZ       LYS   4   6.191   7.607  -1.754
   37   2HZ   LYS   4          2HZ       LYS   4   6.657   9.234  -1.610
   38   3HZ   LYS   4          3HZ       LYS   4   5.976   8.669  -3.059
   39    H    MET   5           H        MET   5   1.688   5.060  -2.909
   40    HA   MET   5           HA       MET   5   0.114   2.829  -3.489
   41   1HB   MET   5          2HB       MET   5   0.940   5.280  -5.038
   42   2HB   MET   5          1HB       MET   5  -0.178   4.113  -5.745
   43   1HG   MET   5          2HG       MET   5  -1.455   4.339  -3.478
   44   2HG   MET   5          1HG       MET   5  -0.546   5.842  -3.312
   45   1HE   MET   5          1HE       MET   5  -1.569   8.080  -6.084
   46   2HE   MET   5          2HE       MET   5  -0.356   6.871  -6.493
   47   3HE   MET   5          3HE       MET   5  -0.370   7.583  -4.882
   48    H    PHE   6           H        PHE   6   0.453   0.943  -4.589
   49    HA   PHE   6           HA       PHE   6   1.527  -0.711  -5.887
   50   1HB   PHE   6          2HB       PHE   6   2.363   1.705  -7.522
   51   2HB   PHE   6          1HB       PHE   6   2.129   0.059  -8.104
   52    HD1  PHE   6           1HD      PHE   6   0.670   3.190  -8.066
   53    HD2  PHE   6           2HD      PHE   6  -0.328  -0.920  -7.313
   54    HE1  PHE   6           1HE      PHE   6  -1.718   3.688  -8.507
   55    HE2  PHE   6           2HE      PHE   6  -2.716  -0.421  -7.755
   56    HZ   PHE   6           HZ       PHE   6  -3.411   1.883  -8.352
   57    H    GLY   7           H        GLY   7   3.085   0.324  -3.663
   58   1HA   GLY   7          2HA       GLY   7   5.825   0.695  -4.682
   59   2HA   GLY   7          1HA       GLY   7   5.340   0.711  -2.986
   60    H    GLY   8           H        GLY   8   3.922  -1.797  -3.000
   61   1HA   GLY   8          2HA       GLY   8   4.399  -4.163  -3.501
   62   2HA   GLY   8          1HA       GLY   8   6.105  -3.737  -3.630
   63    H    CYS   9           H        CYS   9   3.884  -5.151  -1.612
   64    HA   CYS   9           HA       CYS   9   5.733  -5.007   0.689
   65   1HB   CYS   9          2HB       CYS   9   3.855  -4.187   2.157
   66   2HB   CYS   9          1HB       CYS   9   4.387  -3.003   0.965
   67    H    SER  10           H        SER  10   4.422  -6.196   2.630
   68    HA   SER  10           HA       SER  10   2.968  -8.564   1.504
   69   1HB   SER  10          2HB       SER  10   5.527  -8.772   2.021
   70   2HB   SER  10          1HB       SER  10   5.020  -8.771   3.706
   71    HG   SER  10           HG       SER  10   4.104 -10.678   3.442
   72    H    VAL  11           H        VAL  11   3.870  -6.766   4.474
   73    HA   VAL  11           HA       VAL  11   1.273  -7.632   5.706
   74    HB   VAL  11           HB       VAL  11   2.478  -7.131   7.856
   75   1HG1  VAL  11          1HG1      VAL  11   3.767  -9.097   5.944
   76   2HG1  VAL  11          2HG1      VAL  11   2.448  -9.419   7.070
   77   3HG1  VAL  11          3HG1      VAL  11   4.067  -9.073   7.682
   78   1HG2  VAL  11          1HG2      VAL  11   5.046  -7.050   6.298
   79   2HG2  VAL  11          2HG2      VAL  11   4.710  -6.451   7.922
   80   3HG2  VAL  11          3HG2      VAL  11   4.131  -5.558   6.515
   81    H    ASP  12           H        ASP  12   0.220  -5.956   7.088
   82    HA   ASP  12           HA       ASP  12  -0.265  -3.515   5.782
   83   1HB   ASP  12          2HB       ASP  12  -0.756  -4.713   8.454
   84   2HB   ASP  12          1HB       ASP  12  -0.958  -2.963   8.336
   85    H    SER  13           H        SER  13   2.209  -4.300   8.179
   86    HA   SER  13           HA       SER  13   2.980  -1.466   8.529
   87   1HB   SER  13          2HB       SER  13   3.793  -4.152   9.630
   88   2HB   SER  13          1HB       SER  13   4.826  -2.752   9.897
   89    HG   SER  13           HG       SER  13   3.344  -1.885  11.163
   90    H    ASP  14           H        ASP  14   3.232  -1.800   5.925
   91    HA   ASP  14           HA       ASP  14   6.169  -1.942   5.463
   92   1HB   ASP  14          2HB       ASP  14   4.695  -4.123   5.029
   93   2HB   ASP  14          1HB       ASP  14   4.322  -3.282   3.525
   94    H    CYS  15           H        CYS  15   3.687   0.055   5.358
   95    HA   CYS  15           HA       CYS  15   4.537   1.318   2.777
   96   1HB   CYS  15          2HB       CYS  15   1.652   1.094   3.675
   97   2HB   CYS  15          1HB       CYS  15   2.252   1.600   2.099
   98    H    CYS  16           H        CYS  16   3.119   3.581   2.763
   99    HA   CYS  16           HA       CYS  16   4.011   5.017   5.189
  100   1HB   CYS  16          2HB       CYS  16   2.599   6.009   2.689
  101   2HB   CYS  16          1HB       CYS  16   3.512   6.982   3.837
  102    H    ALA  17           H        ALA  17   2.157   6.983   5.525
  103    HA   ALA  17           HA       ALA  17   0.049   5.734   6.989
  104   1HB   ALA  17          1HB       ALA  17   0.641   8.540   6.044
  105   2HB   ALA  17          2HB       ALA  17   0.848   7.873   7.663
  106   3HB   ALA  17          3HB       ALA  17  -0.772   8.174   7.033
  107    H    HIS  18           H        HIS  18  -2.196   5.612   6.496
  108    HA   HIS  18           HA       HIS  18  -4.117   5.399   5.150
  109   1HB   HIS  18          2HB       HIS  18  -2.664   7.303   3.288
  110   2HB   HIS  18          1HB       HIS  18  -4.402   7.068   3.424
  111    HD1  HIS  18           1HD      HIS  18  -4.831   7.221   6.432
  112    HD2  HIS  18           2HD      HIS  18  -2.272   9.806   4.394
  113    HE1  HIS  18           1HE      HIS  18  -4.597   9.287   7.879
  114    H    LEU  19           H        LEU  19  -1.425   3.854   4.555
  115    HA   LEU  19           HA       LEU  19  -2.277   2.845   1.859
  116   1HB   LEU  19          2HB       LEU  19   0.358   3.558   3.071
  117   2HB   LEU  19          1HB       LEU  19   0.327   2.168   1.986
  118    HG   LEU  19           HG       LEU  19  -1.125   4.587   1.072
  119   1HD1  LEU  19          1HD1      LEU  19   1.047   5.535   0.192
  120   2HD1  LEU  19          2HD1      LEU  19   1.893   4.413   1.257
  121   3HD1  LEU  19          3HD1      LEU  19   0.854   5.663   1.939
  122   1HD2  LEU  19          1HD2      LEU  19  -0.828   2.372  -0.174
  123   2HD2  LEU  19          2HD2      LEU  19   0.866   2.822  -0.368
  124   3HD2  LEU  19          3HD2      LEU  19  -0.400   3.825  -1.077
  125    H    GLY  20           H        GLY  20  -3.249   0.881   2.206
  126   1HA   GLY  20          2HA       GLY  20  -2.152  -0.888   4.351
  127   2HA   GLY  20          1HA       GLY  20  -3.795  -0.984   3.717
  128    H    CYS  21           H        CYS  21  -1.045  -2.676   3.712
  129    HA   CYS  21           HA       CYS  21  -0.511  -3.278   0.954
  130   1HB   CYS  21          2HB       CYS  21   0.785  -3.809   3.150
  131   2HB   CYS  21          1HB       CYS  21  -0.263  -5.224   3.251
  132    H    LYS  22           H        LYS  22  -1.584  -4.641  -0.460
  133    HA   LYS  22           HA       LYS  22  -4.251  -5.569   0.181
  134   1HB   LYS  22          2HB       LYS  22  -2.326  -5.707  -2.109
  135   2HB   LYS  22          1HB       LYS  22  -3.729  -6.776  -2.134
  136   1HG   LYS  22          2HG       LYS  22  -4.471  -4.082  -1.325
  137   2HG   LYS  22          1HG       LYS  22  -3.685  -4.086  -2.903
  138   1HD   LYS  22          2HD       LYS  22  -5.299  -5.502  -3.849
  139   2HD   LYS  22          1HD       LYS  22  -5.834  -6.100  -2.277
  140   1HE   LYS  22          2HE       LYS  22  -6.147  -3.170  -2.888
  141   2HE   LYS  22          1HE       LYS  22  -7.316  -4.325  -3.559
  142   1HZ   LYS  22          1HZ       LYS  22  -6.520  -4.138  -0.698
  143   2HZ   LYS  22          2HZ       LYS  22  -7.631  -5.248  -1.348
  144   3HZ   LYS  22          3HZ       LYS  22  -7.987  -3.587  -1.346
  145    HA   PRO  23           HA       PRO  23  -3.048  -9.446   2.000
  146   1HB   PRO  23          2HB       PRO  23  -5.552 -10.562   2.077
  147   2HB   PRO  23          1HB       PRO  23  -4.999  -9.337   3.234
  148   1HG   PRO  23          2HG       PRO  23  -6.723  -9.024   0.827
  149   2HG   PRO  23          1HG       PRO  23  -6.847  -8.249   2.414
  150   1HD   PRO  23          2HD       PRO  23  -5.817  -7.000   0.231
  151   2HD   PRO  23          1HD       PRO  23  -5.312  -6.628   1.894
  152    H    THR  24           H        THR  24  -5.238  -9.354  -0.838
  153    HA   THR  24           HA       THR  24  -4.644 -12.078  -1.678
  154    HB   THR  24           HB       THR  24  -5.680  -9.811  -3.399
  155    HG1  THR  24           1HG      THR  24  -7.237  -9.618  -2.028
  156   1HG2  THR  24          1HG2      THR  24  -5.574 -11.711  -4.726
  157   2HG2  THR  24          2HG2      THR  24  -7.192 -11.887  -4.045
  158   3HG2  THR  24          3HG2      THR  24  -5.846 -12.800  -3.365
  159    H    LEU  25           H        LEU  25  -3.717  -8.862  -2.984
  160    HA   LEU  25           HA       LEU  25  -1.607 -10.107  -4.642
  161   1HB   LEU  25          2HB       LEU  25  -2.901  -7.402  -4.333
  162   2HB   LEU  25          1HB       LEU  25  -1.401  -7.556  -5.244
  163    HG   LEU  25           HG       LEU  25  -2.726  -9.591  -6.361
  164   1HD1  LEU  25          1HD1      LEU  25  -4.817  -7.762  -5.202
  165   2HD1  LEU  25          2HD1      LEU  25  -4.787  -9.525  -5.245
  166   3HD1  LEU  25          3HD1      LEU  25  -5.124  -8.613  -6.717
  167   1HD2  LEU  25          1HD2      LEU  25  -2.132  -6.881  -7.029
  168   2HD2  LEU  25          2HD2      LEU  25  -3.749  -7.233  -7.634
  169   3HD2  LEU  25          3HD2      LEU  25  -2.387  -8.237  -8.127
  170    H    LYS  26           H        LYS  26   0.019  -7.500  -4.288
  171    HA   LYS  26           HA       LYS  26   1.027  -7.752  -1.521
  172   1HB   LYS  26          2HB       LYS  26   2.114  -9.126  -3.846
  173   2HB   LYS  26          1HB       LYS  26   3.316  -8.055  -3.131
  174   1HG   LYS  26          2HG       LYS  26   3.508  -9.318  -1.255
  175   2HG   LYS  26          1HG       LYS  26   1.771  -9.610  -1.161
  176   1HD   LYS  26          2HD       LYS  26   1.946 -11.598  -2.226
  177   2HD   LYS  26          1HD       LYS  26   2.997 -10.923  -3.470
  178   1HE   LYS  26          2HE       LYS  26   4.906 -11.596  -2.398
  179   2HE   LYS  26          1HE       LYS  26   4.250 -11.220  -0.793
  180   1HZ   LYS  26          1HZ       LYS  26   3.433 -13.522  -2.493
  181   2HZ   LYS  26          2HZ       LYS  26   2.811 -13.151  -0.956
  182   3HZ   LYS  26          3HZ       LYS  26   4.434 -13.619  -1.126
  183    H    TYR  27           H        TYR  27  -0.097  -5.467  -2.474
  184    HA   TYR  27           HA       TYR  27   2.246  -3.654  -2.723
  185   1HB   TYR  27          2HB       TYR  27   1.404  -2.607  -4.703
  186   2HB   TYR  27          1HB       TYR  27   1.316  -4.339  -5.001
  187    HD1  TYR  27           1HD      TYR  27  -0.886  -5.530  -4.798
  188    HD2  TYR  27           2HD      TYR  27  -0.561  -1.251  -4.600
  189    HE1  TYR  27           1HE      TYR  27  -3.316  -5.324  -5.243
  190    HE2  TYR  27           2HE      TYR  27  -2.992  -1.045  -5.041
  191    HH   TYR  27           HH       TYR  27  -5.107  -2.884  -4.588
  192    H    CYS  28           H        CYS  28   1.784  -1.485  -1.999
  193    HA   CYS  28           HA       CYS  28  -0.282  -1.348   0.061
  194   1HB   CYS  28          2HB       CYS  28   1.456   0.876  -1.055
  195   2HB   CYS  28          1HB       CYS  28   0.733   0.792   0.550
  196    H    ALA  29           H        ALA  29  -2.133  -0.015   0.074
  197    HA   ALA  29           HA       ALA  29  -2.940   1.144  -2.579
  198   1HB   ALA  29          1HB       ALA  29  -5.277   0.503  -1.705
  199   2HB   ALA  29          2HB       ALA  29  -4.433  -0.422  -0.463
  200   3HB   ALA  29          3HB       ALA  29  -4.218  -0.830  -2.165
  201    H    TRP  30           H        TRP  30  -2.719   3.357  -2.270
  202    HA   TRP  30           HA       TRP  30  -3.087   4.682   0.285
  203   1HB   TRP  30          2HB       TRP  30  -1.637   5.561  -1.481
  204   2HB   TRP  30          1HB       TRP  30  -3.007   5.669  -2.588
  205    HD1  TRP  30           HD       TRP  30  -4.727   7.644  -2.251
  206    HE1  TRP  30           1HE      TRP  30  -4.631   9.829  -0.886
  207    HE3  TRP  30           3HE      TRP  30  -0.712   6.641   0.741
  208    HZ2  TRP  30           2HZ      TRP  30  -3.059  10.996   1.202
  209    HZ3  TRP  30           3HZ      TRP  30   0.063   8.303   2.404
  210    HH2  TRP  30           HH       TRP  30  -1.104  10.477   2.639
  211    H    ASP  31           H        ASP  31  -5.093   4.866   1.223
  212    HA   ASP  31           HA       ASP  31  -7.438   5.397  -0.575
  213   1HB   ASP  31          2HB       ASP  31  -7.001   3.194   0.971
  214   2HB   ASP  31          1HB       ASP  31  -7.862   4.220   2.118
  215    H    GLY  32           H        GLY  32  -5.892   7.519   0.333
  216   1HA   GLY  32          2HA       GLY  32  -7.242   8.639   2.725
  217   2HA   GLY  32          1HA       GLY  32  -5.848   9.344   1.905
  218    H    THR  33           H        THR  33  -6.797   9.335  -0.740
  219    HA   THR  33           HA       THR  33  -8.371  11.737  -0.814
  220    HB   THR  33           HB       THR  33  -7.722   9.636  -2.909
  221    HG1  THR  33           1HG      THR  33  -5.866  10.606  -3.011
  222   1HG2  THR  33          1HG2      THR  33  -9.480  10.898  -3.848
  223   2HG2  THR  33          2HG2      THR  33  -8.025  11.701  -4.441
  224   3HG2  THR  33          3HG2      THR  33  -8.926  12.393  -3.092
  225    H    PHE  34           H        PHE  34  -9.222   8.319  -0.907
  226    HA   PHE  34           HA       PHE  34 -11.832   8.444  -2.024
  227   1HB   PHE  34          2HB       PHE  34 -10.423   6.686  -0.014
  228   2HB   PHE  34          1HB       PHE  34 -12.105   6.382  -0.447
  229    HD1  PHE  34           1HD      PHE  34  -8.627   6.453  -1.682
  230    HD2  PHE  34           2HD      PHE  34 -12.721   5.616  -2.676
  231    HE1  PHE  34           1HE      PHE  34  -7.889   5.293  -3.746
  232    HE2  PHE  34           2HE      PHE  34 -11.982   4.458  -4.741
  233    HZ   PHE  34           HZ       PHE  34  -9.567   4.296  -5.276
  Start of MODEL    6
    1   1H    GLU   1          1HT       GLU   1  12.726   4.454   4.272
    2   2H    GLU   1          2HT       GLU   1  13.636   5.641   3.467
    3   3H    GLU   1          3HT       GLU   1  13.265   4.178   2.686
    4    HA   GLU   1           HA       GLU   1  11.357   6.338   3.432
    5   1HB   GLU   1          2HB       GLU   1  13.071   5.889   1.246
    6   2HB   GLU   1          1HB       GLU   1  11.474   5.400   0.680
    7   1HG   GLU   1          2HG       GLU   1  11.662   7.747   0.221
    8   2HG   GLU   1          1HG       GLU   1  10.597   7.597   1.619
    9    H    CYS   2           H        CYS   2   9.171   5.797   3.288
   10    HA   CYS   2           HA       CYS   2   8.449   2.984   3.538
   11   1HB   CYS   2          2HB       CYS   2   6.143   4.001   3.706
   12   2HB   CYS   2          1HB       CYS   2   7.314   4.695   4.824
   13    H    ARG   3           H        ARG   3   6.568   2.106   2.176
   14    HA   ARG   3           HA       ARG   3   7.221   2.482  -0.694
   15   1HB   ARG   3          2HB       ARG   3   6.303   0.372   1.087
   16   2HB   ARG   3          1HB       ARG   3   5.312   0.460  -0.369
   17   1HG   ARG   3          2HG       ARG   3   6.942  -0.585  -1.510
   18   2HG   ARG   3          1HG       ARG   3   8.004   0.789  -1.204
   19   1HD   ARG   3          2HD       ARG   3   7.608  -1.451   0.807
   20   2HD   ARG   3          1HD       ARG   3   8.916  -1.443  -0.392
   21    HE   ARG   3           HE       ARG   3   9.095   1.068   0.749
   22   1HH1  ARG   3          1HH2      ARG   3   7.874  -0.715   3.060
   23   2HH1  ARG   3          2HH2      ARG   3   9.317  -1.013   3.971
   24   1HH2  ARG   3          1HH1      ARG   3  11.448   0.068   1.446
   25   2HH2  ARG   3          2HH1      ARG   3  11.346  -0.569   3.054
   26    H    LYS   4           H        LYS   4   5.820   3.391  -2.148
   27    HA   LYS   4           HA       LYS   4   3.262   4.525  -1.114
   28   1HB   LYS   4          2HB       LYS   4   5.028   5.007  -3.530
   29   2HB   LYS   4          1HB       LYS   4   3.470   5.807  -3.313
   30   1HG   LYS   4          2HG       LYS   4   4.595   6.264  -0.880
   31   2HG   LYS   4          1HG       LYS   4   6.035   6.254  -1.900
   32   1HD   LYS   4          2HD       LYS   4   4.816   7.866  -3.441
   33   2HD   LYS   4          1HD       LYS   4   3.584   8.010  -2.187
   34   1HE   LYS   4          2HE       LYS   4   6.448   8.379  -1.377
   35   2HE   LYS   4          1HE       LYS   4   5.644   9.700  -2.247
   36   1HZ   LYS   4          1HZ       LYS   4   3.886   9.722  -0.669
   37   2HZ   LYS   4          2HZ       LYS   4   5.332   9.740   0.223
   38   3HZ   LYS   4          3HZ       LYS   4   4.436   8.304   0.082
   39    H    MET   5           H        MET   5   1.820   4.752  -3.442
   40    HA   MET   5           HA       MET   5   0.454   2.304  -3.733
   41   1HB   MET   5          2HB       MET   5   0.753   4.821  -5.347
   42   2HB   MET   5          1HB       MET   5  -0.186   3.485  -6.011
   43   1HG   MET   5          2HG       MET   5  -1.598   3.454  -3.998
   44   2HG   MET   5          1HG       MET   5  -0.649   4.767  -3.301
   45   1HE   MET   5          1HE       MET   5  -2.542   7.414  -3.687
   46   2HE   MET   5          2HE       MET   5  -1.110   7.707  -4.672
   47   3HE   MET   5          3HE       MET   5  -0.998   6.668  -3.254
   48    H    PHE   6           H        PHE   6   0.671   0.544  -5.114
   49    HA   PHE   6           HA       PHE   6   1.755  -1.005  -6.521
   50   1HB   PHE   6          2HB       PHE   6   2.620   1.551  -7.920
   51   2HB   PHE   6          1HB       PHE   6   2.485  -0.048  -8.649
   52    HD1  PHE   6           1HD      PHE   6  -0.060  -1.028  -7.476
   53    HD2  PHE   6           2HD      PHE   6   0.983   2.845  -9.018
   54    HE1  PHE   6           1HE      PHE   6  -2.447  -0.586  -7.982
   55    HE2  PHE   6           2HE      PHE   6  -1.405   3.286  -9.525
   56    HZ   PHE   6           HZ       PHE   6  -3.119   1.571  -9.006
   57    H    GLY   7           H        GLY   7   3.213  -0.319  -4.180
   58   1HA   GLY   7          2HA       GLY   7   6.032  -0.080  -5.129
   59   2HA   GLY   7          1HA       GLY   7   5.495   0.208  -3.475
   60    H    GLY   8           H        GLY   8   3.812  -2.205  -3.361
   61   1HA   GLY   8          2HA       GLY   8   4.111  -4.626  -3.441
   62   2HA   GLY   8          1HA       GLY   8   5.849  -4.370  -3.591
   63    H    CYS   9           H        CYS   9   3.503  -5.302  -1.441
   64    HA   CYS   9           HA       CYS   9   5.338  -4.937   0.853
   65   1HB   CYS   9          2HB       CYS   9   4.099  -2.871   0.854
   66   2HB   CYS   9          1HB       CYS   9   2.575  -3.722   0.611
   67    H    SER  10           H        SER  10   4.652  -6.212   2.724
   68    HA   SER  10           HA       SER  10   2.843  -8.492   1.993
   69   1HB   SER  10          2HB       SER  10   5.322  -8.874   2.394
   70   2HB   SER  10          1HB       SER  10   5.062  -8.370   4.061
   71    HG   SER  10           HG       SER  10   4.271 -10.681   2.725
   72    H    VAL  11           H        VAL  11   4.001  -6.715   4.901
   73    HA   VAL  11           HA       VAL  11   1.356  -7.215   6.198
   74    HB   VAL  11           HB       VAL  11   2.575  -6.559   8.259
   75   1HG1  VAL  11          1HG1      VAL  11   3.277  -8.792   6.519
   76   2HG1  VAL  11          2HG1      VAL  11   2.990  -8.775   8.259
   77   3HG1  VAL  11          3HG1      VAL  11   4.588  -8.380   7.625
   78   1HG2  VAL  11          1HG2      VAL  11   4.916  -5.995   8.230
   79   2HG2  VAL  11          2HG2      VAL  11   4.125  -4.939   7.061
   80   3HG2  VAL  11          3HG2      VAL  11   5.040  -6.340   6.506
   81    H    ASP  12           H        ASP  12   0.031  -5.478   6.793
   82    HA   ASP  12           HA       ASP  12  -0.099  -3.139   5.323
   83   1HB   ASP  12          2HB       ASP  12  -1.163  -4.182   7.845
   84   2HB   ASP  12          1HB       ASP  12  -1.141  -2.420   7.780
   85    H    SER  13           H        SER  13   2.032  -3.702   8.075
   86    HA   SER  13           HA       SER  13   2.669  -0.825   8.354
   87   1HB   SER  13          2HB       SER  13   2.463  -2.658  10.193
   88   2HB   SER  13          1HB       SER  13   4.065  -3.164   9.665
   89    HG   SER  13           HG       SER  13   4.871  -1.485  10.631
   90    H    ASP  14           H        ASP  14   3.308  -1.389   5.804
   91    HA   ASP  14           HA       ASP  14   6.278  -1.300   5.821
   92   1HB   ASP  14          2HB       ASP  14   4.682  -3.563   5.061
   93   2HB   ASP  14          1HB       ASP  14   5.473  -2.926   3.620
   94    H    CYS  15           H        CYS  15   3.762   0.446   5.152
   95    HA   CYS  15           HA       CYS  15   4.818   1.430   2.520
   96   1HB   CYS  15          2HB       CYS  15   1.907   1.136   3.317
   97   2HB   CYS  15          1HB       CYS  15   2.506   1.728   1.769
   98    H    CYS  16           H        CYS  16   3.741   3.719   2.112
   99    HA   CYS  16           HA       CYS  16   4.451   5.426   4.346
  100   1HB   CYS  16          2HB       CYS  16   2.985   5.987   1.745
  101   2HB   CYS  16          1HB       CYS  16   3.723   7.204   2.783
  102    H    ALA  17           H        ALA  17   2.657   7.305   4.776
  103    HA   ALA  17           HA       ALA  17   0.619   6.147   6.367
  104   1HB   ALA  17          1HB       ALA  17   1.597   8.765   5.554
  105   2HB   ALA  17          2HB       ALA  17   0.890   8.270   7.092
  106   3HB   ALA  17          3HB       ALA  17  -0.154   8.765   5.759
  107    H    HIS  18           H        HIS  18  -1.647   6.001   6.043
  108    HA   HIS  18           HA       HIS  18  -3.654   5.682   4.865
  109   1HB   HIS  18          2HB       HIS  18  -2.375   7.525   2.824
  110   2HB   HIS  18          1HB       HIS  18  -4.097   7.270   3.097
  111    HD1  HIS  18           1HD      HIS  18  -4.276   7.510   6.135
  112    HD2  HIS  18           2HD      HIS  18  -1.974  10.085   3.799
  113    HE1  HIS  18           1HE      HIS  18  -3.969   9.628   7.490
  114    H    LEU  19           H        LEU  19  -1.253   3.924   4.297
  115    HA   LEU  19           HA       LEU  19  -2.160   2.921   1.615
  116   1HB   LEU  19          2HB       LEU  19   0.550   3.464   2.764
  117   2HB   LEU  19          1HB       LEU  19   0.384   2.070   1.695
  118    HG   LEU  19           HG       LEU  19  -0.820   4.684   0.864
  119   1HD1  LEU  19          1HD1      LEU  19   1.331   5.495   1.349
  120   2HD1  LEU  19          2HD1      LEU  19   1.454   5.033  -0.349
  121   3HD1  LEU  19          3HD1      LEU  19   2.105   3.975   0.904
  122   1HD2  LEU  19          1HD2      LEU  19   0.675   2.809  -0.920
  123   2HD2  LEU  19          2HD2      LEU  19  -0.782   3.748  -1.250
  124   3HD2  LEU  19          3HD2      LEU  19  -0.881   2.274  -0.286
  125    H    GLY  20           H        GLY  20  -3.130   0.965   1.891
  126   1HA   GLY  20          2HA       GLY  20  -2.320  -0.719   4.217
  127   2HA   GLY  20          1HA       GLY  20  -3.866  -0.835   3.376
  128    H    CYS  21           H        CYS  21  -1.090  -2.482   3.795
  129    HA   CYS  21           HA       CYS  21  -0.324  -3.251   1.121
  130   1HB   CYS  21          2HB       CYS  21  -0.080  -4.646   3.808
  131   2HB   CYS  21          1HB       CYS  21   0.811  -5.097   2.354
  132    H    LYS  22           H        LYS  22  -1.884  -4.092  -0.216
  133    HA   LYS  22           HA       LYS  22  -4.163  -5.623   0.652
  134   1HB   LYS  22          2HB       LYS  22  -2.749  -5.148  -1.978
  135   2HB   LYS  22          1HB       LYS  22  -4.210  -6.129  -1.876
  136   1HG   LYS  22          2HG       LYS  22  -4.251  -3.454  -0.545
  137   2HG   LYS  22          1HG       LYS  22  -4.326  -3.491  -2.306
  138   1HD   LYS  22          2HD       LYS  22  -6.524  -3.948  -2.148
  139   2HD   LYS  22          1HD       LYS  22  -6.098  -5.502  -1.429
  140   1HE   LYS  22          2HE       LYS  22  -7.534  -4.463   0.175
  141   2HE   LYS  22          1HE       LYS  22  -5.898  -4.195   0.808
  142   1HZ   LYS  22          1HZ       LYS  22  -5.847  -2.027  -0.048
  143   2HZ   LYS  22          2HZ       LYS  22  -7.394  -2.166   0.637
  144   3HZ   LYS  22          3HZ       LYS  22  -7.195  -2.280  -1.047
  145    HA   PRO  23           HA       PRO  23  -2.083  -9.527   1.097
  146   1HB   PRO  23          2HB       PRO  23  -4.309 -11.053   1.526
  147   2HB   PRO  23          1HB       PRO  23  -3.611  -9.990   2.762
  148   1HG   PRO  23          2HG       PRO  23  -6.001  -9.592   1.058
  149   2HG   PRO  23          1HG       PRO  23  -5.692  -9.062   2.717
  150   1HD   PRO  23          2HD       PRO  23  -5.537  -7.450   0.473
  151   2HD   PRO  23          1HD       PRO  23  -4.772  -7.104   2.039
  152    H    THR  24           H        THR  24  -4.532  -8.823  -1.303
  153    HA   THR  24           HA       THR  24  -4.356 -11.390  -2.697
  154    HB   THR  24           HB       THR  24  -5.455  -8.669  -3.488
  155    HG1  THR  24           1HG      THR  24  -6.778  -9.241  -1.946
  156   1HG2  THR  24          1HG2      THR  24  -5.219  -9.910  -5.494
  157   2HG2  THR  24          2HG2      THR  24  -6.895 -10.167  -5.006
  158   3HG2  THR  24          3HG2      THR  24  -5.688 -11.419  -4.711
  159    H    LEU  25           H        LEU  25  -3.437  -8.054  -3.685
  160    HA   LEU  25           HA       LEU  25  -1.579  -9.147  -5.712
  161   1HB   LEU  25          2HB       LEU  25  -2.998  -6.643  -5.093
  162   2HB   LEU  25          1HB       LEU  25  -1.372  -6.397  -5.730
  163    HG   LEU  25           HG       LEU  25  -2.909  -8.474  -7.146
  164   1HD1  LEU  25          1HD1      LEU  25  -3.737  -5.770  -7.985
  165   2HD1  LEU  25          2HD1      LEU  25  -4.406  -6.282  -6.436
  166   3HD1  LEU  25          3HD1      LEU  25  -4.682  -7.255  -7.881
  167   1HD2  LEU  25          1HD2      LEU  25  -1.434  -7.883  -8.749
  168   2HD2  LEU  25          2HD2      LEU  25  -0.705  -6.784  -7.580
  169   3HD2  LEU  25          3HD2      LEU  25  -1.951  -6.198  -8.682
  170    H    LYS  26           H        LYS  26  -1.402  -8.011  -2.446
  171    HA   LYS  26           HA       LYS  26   0.425  -7.749  -0.996
  172   1HB   LYS  26          2HB       LYS  26   1.258  -9.488  -3.156
  173   2HB   LYS  26          1HB       LYS  26   2.619  -8.498  -2.632
  174   1HG   LYS  26          2HG       LYS  26   2.804  -9.628  -0.687
  175   2HG   LYS  26          1HG       LYS  26   1.074  -9.497  -0.367
  176   1HD   LYS  26          2HD       LYS  26   2.215 -11.458  -2.369
  177   2HD   LYS  26          1HD       LYS  26   1.960 -11.869  -0.672
  178   1HE   LYS  26          2HE       LYS  26  -0.244 -12.220  -1.054
  179   2HE   LYS  26          1HE       LYS  26  -0.414 -10.593  -1.737
  180   1HZ   LYS  26          1HZ       LYS  26   0.504 -11.397  -3.819
  181   2HZ   LYS  26          2HZ       LYS  26  -0.875 -12.297  -3.404
  182   3HZ   LYS  26          3HZ       LYS  26   0.673 -12.958  -3.176
  183    H    TYR  27           H        TYR  27  -0.399  -5.434  -2.073
  184    HA   TYR  27           HA       TYR  27   2.146  -3.938  -2.477
  185   1HB   TYR  27          2HB       TYR  27   1.455  -2.996  -4.533
  186   2HB   TYR  27          1HB       TYR  27   0.969  -4.683  -4.677
  187    HD1  TYR  27           1HD      TYR  27  -1.457  -5.287  -4.003
  188    HD2  TYR  27           2HD      TYR  27  -0.130  -1.272  -4.754
  189    HE1  TYR  27           1HE      TYR  27  -3.806  -4.574  -4.347
  190    HE2  TYR  27           2HE      TYR  27  -2.479  -0.559  -5.095
  191    HH   TYR  27           HH       TYR  27  -4.816  -2.245  -5.861
  192    H    CYS  28           H        CYS  28   1.851  -1.590  -2.066
  193    HA   CYS  28           HA       CYS  28  -0.014  -1.088   0.121
  194   1HB   CYS  28          2HB       CYS  28   1.625   0.929  -1.444
  195   2HB   CYS  28          1HB       CYS  28   1.112   1.036   0.237
  196    H    ALA  29           H        ALA  29  -2.126  -0.500  -0.173
  197    HA   ALA  29           HA       ALA  29  -2.910   0.779  -2.771
  198   1HB   ALA  29          1HB       ALA  29  -4.046  -1.274  -2.537
  199   2HB   ALA  29          2HB       ALA  29  -5.216  -0.115  -1.908
  200   3HB   ALA  29          3HB       ALA  29  -4.238  -1.073  -0.796
  201    H    TRP  30           H        TRP  30  -3.130   2.974  -2.494
  202    HA   TRP  30           HA       TRP  30  -3.568   4.212   0.088
  203   1HB   TRP  30          2HB       TRP  30  -2.371   5.131  -1.978
  204   2HB   TRP  30          1HB       TRP  30  -3.971   5.422  -2.661
  205    HD1  TRP  30           HD       TRP  30  -5.627   7.027  -1.126
  206    HE1  TRP  30           1HE      TRP  30  -5.012   9.079   0.307
  207    HE3  TRP  30           3HE      TRP  30  -0.609   6.252  -0.586
  208    HZ2  TRP  30           2HZ      TRP  30  -2.699  10.237   1.522
  209    HZ3  TRP  30           3HZ      TRP  30   0.775   7.843   0.714
  210    HH2  TRP  30           HH       TRP  30  -0.262   9.833   1.768
  211    H    ASP  31           H        ASP  31  -5.537   3.696   1.047
  212    HA   ASP  31           HA       ASP  31  -8.002   4.347  -0.531
  213   1HB   ASP  31          2HB       ASP  31  -7.183   1.979   1.077
  214   2HB   ASP  31          1HB       ASP  31  -8.863   2.494   1.247
  215    H    GLY  32           H        GLY  32  -7.052   6.444   0.794
  216   1HA   GLY  32          2HA       GLY  32  -7.986   6.494   3.588
  217   2HA   GLY  32          1HA       GLY  32  -7.220   7.831   2.726
  218    H    THR  33           H        THR  33  -8.688   8.494   0.688
  219    HA   THR  33           HA       THR  33 -11.278   9.310   1.838
  220    HB   THR  33           HB       THR  33 -11.323  10.506  -0.477
  221    HG1  THR  33           1HG      THR  33  -9.536  10.398  -1.644
  222   1HG2  THR  33          1HG2      THR  33 -10.842  11.847   1.393
  223   2HG2  THR  33          2HG2      THR  33  -9.435  12.080   0.356
  224   3HG2  THR  33          3HG2      THR  33  -9.342  10.987   1.737
  225    H    PHE  34           H        PHE  34 -10.078   7.317  -0.851
  226    HA   PHE  34           HA       PHE  34 -12.832   6.167  -1.132
  227   1HB   PHE  34          2HB       PHE  34 -12.576   6.248  -3.527
  228   2HB   PHE  34          1HB       PHE  34 -12.128   7.837  -2.916
  229    HD1  PHE  34           1HD      PHE  34 -10.964   4.802  -4.574
  230    HD2  PHE  34           2HD      PHE  34  -9.723   8.489  -2.754
  231    HE1  PHE  34           1HE      PHE  34  -8.740   4.583  -5.647
  232    HE2  PHE  34           2HE      PHE  34  -7.500   8.270  -3.825
  233    HZ   PHE  34           HZ       PHE  34  -7.006   6.317  -5.271
  Start of MODEL    7
    1   1H    GLU   1          1HT       GLU   1  10.790   5.955   5.554
    2   2H    GLU   1          2HT       GLU   1  12.470   6.095   5.349
    3   3H    GLU   1          3HT       GLU   1  11.793   4.624   5.868
    4    HA   GLU   1           HA       GLU   1  11.373   5.873   3.193
    5   1HB   GLU   1          2HB       GLU   1  13.138   3.699   4.327
    6   2HB   GLU   1          1HB       GLU   1  12.688   3.691   2.622
    7   1HG   GLU   1          2HG       GLU   1  14.352   5.154   2.231
    8   2HG   GLU   1          1HG       GLU   1  13.475   6.342   3.194
    9    H    CYS   2           H        CYS   2   9.030   5.549   3.634
   10    HA   CYS   2           HA       CYS   2   8.104   2.757   3.984
   11   1HB   CYS   2          2HB       CYS   2   5.876   3.905   4.068
   12   2HB   CYS   2          1HB       CYS   2   7.031   4.548   5.233
   13    H    ARG   3           H        ARG   3   6.382   1.937   2.465
   14    HA   ARG   3           HA       ARG   3   7.208   2.379  -0.346
   15   1HB   ARG   3          2HB       ARG   3   5.860   0.318   1.299
   16   2HB   ARG   3          1HB       ARG   3   5.291   0.436  -0.365
   17   1HG   ARG   3          2HG       ARG   3   7.426  -0.028  -1.257
   18   2HG   ARG   3          1HG       ARG   3   8.238   0.344   0.264
   19   1HD   ARG   3          2HD       ARG   3   6.432  -1.726   0.896
   20   2HD   ARG   3          1HD       ARG   3   7.178  -2.200  -0.642
   21    HE   ARG   3           HE       ARG   3   8.909  -1.222   1.587
   22   1HH1  ARG   3          1HH1      ARG   3   9.965  -2.298  -1.056
   23   2HH1  ARG   3          2HH1      ARG   3  10.417  -3.909  -0.613
   24   1HH2  ARG   3          1HH2      ARG   3   8.598  -3.891   2.348
   25   2HH2  ARG   3          2HH2      ARG   3   9.642  -4.813   1.319
   26    H    LYS   4           H        LYS   4   5.816   3.165  -1.959
   27    HA   LYS   4           HA       LYS   4   3.285   4.446  -0.995
   28   1HB   LYS   4          2HB       LYS   4   5.544   5.321  -2.478
   29   2HB   LYS   4          1HB       LYS   4   4.186   5.292  -3.603
   30   1HG   LYS   4          2HG       LYS   4   3.157   6.370  -1.211
   31   2HG   LYS   4          1HG       LYS   4   4.722   7.150  -1.449
   32   1HD   LYS   4          2HD       LYS   4   3.958   7.501  -3.896
   33   2HD   LYS   4          1HD       LYS   4   2.340   7.125  -3.302
   34   1HE   LYS   4          2HE       LYS   4   2.379   9.452  -3.034
   35   2HE   LYS   4          1HE       LYS   4   2.968   8.930  -1.444
   36   1HZ   LYS   4          1HZ       LYS   4   4.439  10.588  -2.494
   37   2HZ   LYS   4          2HZ       LYS   4   4.709   9.515  -3.784
   38   3HZ   LYS   4          3HZ       LYS   4   5.226   9.111  -2.217
   39    H    MET   5           H        MET   5   1.990   4.837  -3.373
   40    HA   MET   5           HA       MET   5   0.542   2.493  -3.888
   41   1HB   MET   5          2HB       MET   5   1.041   5.104  -5.203
   42   2HB   MET   5          1HB       MET   5   0.373   3.853  -6.251
   43   1HG   MET   5          2HG       MET   5  -1.588   3.664  -5.005
   44   2HG   MET   5          1HG       MET   5  -0.836   4.292  -3.539
   45   1HE   MET   5          1HE       MET   5  -2.222   6.623  -7.233
   46   2HE   MET   5          2HE       MET   5  -2.954   5.124  -6.667
   47   3HE   MET   5          3HE       MET   5  -1.281   5.126  -7.220
   48    H    PHE   6           H        PHE   6   0.794   0.740  -5.251
   49    HA   PHE   6           HA       PHE   6   1.917  -0.850  -6.581
   50   1HB   PHE   6          2HB       PHE   6   2.801   1.707  -7.965
   51   2HB   PHE   6          1HB       PHE   6   2.755   0.101  -8.689
   52    HD1  PHE   6           1HD      PHE   6   0.396  -1.140  -8.472
   53    HD2  PHE   6           2HD      PHE   6   0.975   3.114  -8.293
   54    HE1  PHE   6           1HE      PHE   6  -1.979  -0.789  -9.093
   55    HE2  PHE   6           2HE      PHE   6  -1.399   3.462  -8.914
   56    HZ   PHE   6           HZ       PHE   6  -2.877   1.512  -9.315
   57    H    GLY   7           H        GLY   7   3.342  -0.317  -4.233
   58   1HA   GLY   7          2HA       GLY   7   6.176  -0.290  -5.204
   59   2HA   GLY   7          1HA       GLY   7   5.702   0.414  -3.661
   60    H    GLY   8           H        GLY   8   3.956  -2.454  -4.349
   61   1HA   GLY   8          2HA       GLY   8   4.206  -4.678  -3.615
   62   2HA   GLY   8          1HA       GLY   8   5.914  -4.348  -3.322
   63    H    CYS   9           H        CYS   9   3.867  -5.702  -1.583
   64    HA   CYS   9           HA       CYS   9   4.529  -4.224   0.894
   65   1HB   CYS   9          2HB       CYS   9   2.383  -3.289  -0.113
   66   2HB   CYS   9          1HB       CYS   9   1.654  -4.868   0.176
   67    H    SER  10           H        SER  10   3.671  -5.499   2.845
   68    HA   SER  10           HA       SER  10   3.284  -8.408   2.337
   69   1HB   SER  10          2HB       SER  10   5.176  -8.866   3.928
   70   2HB   SER  10          1HB       SER  10   5.705  -8.060   2.454
   71    HG   SER  10           HG       SER  10   5.909  -7.242   4.998
   72    H    VAL  11           H        VAL  11   3.705  -5.873   4.837
   73    HA   VAL  11           HA       VAL  11   1.472  -7.137   6.399
   74    HB   VAL  11           HB       VAL  11   2.674  -6.296   8.407
   75   1HG1  VAL  11          1HG1      VAL  11   3.160  -8.568   7.317
   76   2HG1  VAL  11          2HG1      VAL  11   4.381  -7.949   8.428
   77   3HG1  VAL  11          3HG1      VAL  11   4.630  -7.827   6.687
   78   1HG2  VAL  11          1HG2      VAL  11   3.776  -4.368   7.217
   79   2HG2  VAL  11          2HG2      VAL  11   4.883  -5.524   6.475
   80   3HG2  VAL  11          3HG2      VAL  11   4.879  -5.304   8.224
   81    H    ASP  12           H        ASP  12   0.141  -5.533   7.610
   82    HA   ASP  12           HA       ASP  12  -0.770  -3.352   6.109
   83   1HB   ASP  12          2HB       ASP  12  -1.727  -4.589   8.180
   84   2HB   ASP  12          1HB       ASP  12  -0.815  -3.410   9.123
   85    H    SER  13           H        SER  13   1.724  -3.385   8.650
   86    HA   SER  13           HA       SER  13   2.178  -0.469   8.374
   87   1HB   SER  13          2HB       SER  13   3.823  -0.953  10.215
   88   2HB   SER  13          1HB       SER  13   2.191  -1.499  10.585
   89    HG   SER  13           HG       SER  13   2.978  -3.432  10.739
   90    H    ASP  14           H        ASP  14   2.712  -1.487   5.925
   91    HA   ASP  14           HA       ASP  14   5.710  -1.621   5.809
   92   1HB   ASP  14          2HB       ASP  14   4.195  -3.739   5.391
   93   2HB   ASP  14          1HB       ASP  14   3.922  -2.990   3.821
   94    H    CYS  15           H        CYS  15   3.178   0.358   5.110
   95    HA   CYS  15           HA       CYS  15   4.507   1.411   2.637
   96   1HB   CYS  15          2HB       CYS  15   1.529   1.340   3.199
   97   2HB   CYS  15          1HB       CYS  15   2.315   1.790   1.688
   98    H    CYS  16           H        CYS  16   3.489   3.750   2.241
   99    HA   CYS  16           HA       CYS  16   4.147   5.365   4.582
  100   1HB   CYS  16          2HB       CYS  16   2.941   6.087   1.886
  101   2HB   CYS  16          1HB       CYS  16   3.693   7.215   3.011
  102    H    ALA  17           H        ALA  17   2.398   7.378   4.782
  103    HA   ALA  17           HA       ALA  17   0.139   6.312   6.151
  104   1HB   ALA  17          1HB       ALA  17   0.593   9.084   5.008
  105   2HB   ALA  17          2HB       ALA  17   1.253   8.514   6.541
  106   3HB   ALA  17          3HB       ALA  17  -0.493   8.670   6.337
  107    H    HIS  18           H        HIS  18  -2.118   6.447   5.544
  108    HA   HIS  18           HA       HIS  18  -3.961   6.278   4.092
  109   1HB   HIS  18          2HB       HIS  18  -2.223   7.728   2.076
  110   2HB   HIS  18          1HB       HIS  18  -3.977   7.765   2.213
  111    HD1  HIS  18           1HD      HIS  18  -4.701   8.637   4.857
  112    HD2  HIS  18           2HD      HIS  18  -1.150  10.012   3.161
  113    HE1  HIS  18           1HE      HIS  18  -4.070  10.739   6.120
  114    H    LEU  19           H        LEU  19  -1.454   4.370   3.906
  115    HA   LEU  19           HA       LEU  19  -2.284   3.103   1.312
  116   1HB   LEU  19          2HB       LEU  19   0.386   3.717   2.514
  117   2HB   LEU  19          1HB       LEU  19   0.236   2.234   1.574
  118    HG   LEU  19           HG       LEU  19  -0.930   4.712   0.413
  119   1HD1  LEU  19          1HD1      LEU  19   2.026   4.163   0.690
  120   2HD1  LEU  19          2HD1      LEU  19   1.153   5.642   1.092
  121   3HD1  LEU  19          3HD1      LEU  19   1.375   5.181  -0.595
  122   1HD2  LEU  19          1HD2      LEU  19   0.829   2.807  -1.056
  123   2HD2  LEU  19          2HD2      LEU  19  -0.670   3.579  -1.574
  124   3HD2  LEU  19          3HD2      LEU  19  -0.724   2.194  -0.485
  125    H    GLY  20           H        GLY  20  -3.147   1.096   1.640
  126   1HA   GLY  20          2HA       GLY  20  -2.508  -0.305   4.207
  127   2HA   GLY  20          1HA       GLY  20  -4.015  -0.508   3.312
  128    H    CYS  21           H        CYS  21  -1.796  -2.436   4.124
  129    HA   CYS  21           HA       CYS  21  -0.473  -3.328   1.711
  130   1HB   CYS  21          2HB       CYS  21  -0.135  -3.744   4.324
  131   2HB   CYS  21          1HB       CYS  21  -1.119  -5.165   3.978
  132    H    LYS  22           H        LYS  22  -1.456  -4.334   0.010
  133    HA   LYS  22           HA       LYS  22  -4.172  -5.477   0.335
  134   1HB   LYS  22          2HB       LYS  22  -2.341  -4.816  -1.982
  135   2HB   LYS  22          1HB       LYS  22  -3.877  -5.648  -2.213
  136   1HG   LYS  22          2HG       LYS  22  -3.952  -3.196  -0.532
  137   2HG   LYS  22          1HG       LYS  22  -3.653  -2.954  -2.252
  138   1HD   LYS  22          2HD       LYS  22  -5.952  -2.971  -2.314
  139   2HD   LYS  22          1HD       LYS  22  -5.680  -4.710  -2.436
  140   1HE   LYS  22          2HE       LYS  22  -6.188  -5.073  -0.150
  141   2HE   LYS  22          1HE       LYS  22  -5.966  -3.360   0.259
  142   1HZ   LYS  22          1HZ       LYS  22  -7.981  -2.805  -0.556
  143   2HZ   LYS  22          2HZ       LYS  22  -8.349  -4.436  -0.262
  144   3HZ   LYS  22          3HZ       LYS  22  -7.918  -3.931  -1.825
  145    HA   PRO  23           HA       PRO  23  -2.202  -9.497   0.643
  146   1HB   PRO  23          2HB       PRO  23  -4.497 -10.901   1.136
  147   2HB   PRO  23          1HB       PRO  23  -3.656  -9.955   2.379
  148   1HG   PRO  23          2HG       PRO  23  -6.096  -9.292   0.826
  149   2HG   PRO  23          1HG       PRO  23  -5.688  -8.916   2.506
  150   1HD   PRO  23          2HD       PRO  23  -5.523  -7.127   0.422
  151   2HD   PRO  23          1HD       PRO  23  -4.609  -6.994   1.940
  152    H    THR  24           H        THR  24  -4.672  -8.457  -1.586
  153    HA   THR  24           HA       THR  24  -4.785 -10.957  -3.117
  154    HB   THR  24           HB       THR  24  -5.675  -8.187  -3.960
  155    HG1  THR  24           1HG      THR  24  -6.924 -10.036  -2.209
  156   1HG2  THR  24          1HG2      THR  24  -5.926  -9.810  -5.700
  157   2HG2  THR  24          2HG2      THR  24  -7.526  -9.597  -4.990
  158   3HG2  THR  24          3HG2      THR  24  -6.561 -11.012  -4.576
  159    H    LEU  25           H        LEU  25  -3.476  -7.667  -3.769
  160    HA   LEU  25           HA       LEU  25  -1.898  -8.788  -6.035
  161   1HB   LEU  25          2HB       LEU  25  -3.339  -6.413  -5.522
  162   2HB   LEU  25          1HB       LEU  25  -1.642  -5.942  -5.589
  163    HG   LEU  25           HG       LEU  25  -1.960  -7.769  -7.694
  164   1HD1  LEU  25          1HD1      LEU  25  -4.320  -7.668  -7.748
  165   2HD1  LEU  25          2HD1      LEU  25  -3.822  -6.486  -8.958
  166   3HD1  LEU  25          3HD1      LEU  25  -4.343  -5.949  -7.361
  167   1HD2  LEU  25          1HD2      LEU  25  -1.604  -4.813  -7.378
  168   2HD2  LEU  25          2HD2      LEU  25  -1.949  -5.437  -8.991
  169   3HD2  LEU  25          3HD2      LEU  25  -0.526  -6.000  -8.115
  170    H    LYS  26           H        LYS  26  -1.453  -7.969  -2.735
  171    HA   LYS  26           HA       LYS  26   0.473  -7.896  -1.392
  172   1HB   LYS  26          2HB       LYS  26   0.955  -9.676  -3.438
  173   2HB   LYS  26          1HB       LYS  26   2.311  -8.562  -3.608
  174   1HG   LYS  26          2HG       LYS  26   2.625  -8.828  -1.066
  175   2HG   LYS  26          1HG       LYS  26   1.546 -10.217  -1.201
  176   1HD   LYS  26          2HD       LYS  26   3.051 -11.198  -2.914
  177   2HD   LYS  26          1HD       LYS  26   4.147  -9.831  -2.712
  178   1HE   LYS  26          2HE       LYS  26   4.878 -10.547  -0.629
  179   2HE   LYS  26          1HE       LYS  26   3.347 -11.363  -0.259
  180   1HZ   LYS  26          1HZ       LYS  26   5.099 -12.960  -0.816
  181   2HZ   LYS  26          2HZ       LYS  26   5.296 -12.226  -2.335
  182   3HZ   LYS  26          3HZ       LYS  26   3.838 -13.011  -1.948
  183    H    TYR  27           H        TYR  27  -0.354  -5.462  -2.296
  184    HA   TYR  27           HA       TYR  27   2.210  -3.997  -2.579
  185   1HB   TYR  27          2HB       TYR  27   1.734  -3.088  -4.667
  186   2HB   TYR  27          1HB       TYR  27   1.010  -4.681  -4.839
  187    HD1  TYR  27           1HD      TYR  27  -1.530  -4.836  -4.007
  188    HD2  TYR  27           2HD      TYR  27   0.460  -1.228  -5.214
  189    HE1  TYR  27           1HE      TYR  27  -3.724  -3.785  -4.482
  190    HE2  TYR  27           2HE      TYR  27  -1.733  -0.174  -5.685
  191    HH   TYR  27           HH       TYR  27  -4.282  -0.705  -4.678
  192    H    CYS  28           H        CYS  28   1.814  -1.559  -2.335
  193    HA   CYS  28           HA       CYS  28  -0.038  -1.122  -0.094
  194   1HB   CYS  28          2HB       CYS  28   1.755   0.807  -1.614
  195   2HB   CYS  28          1HB       CYS  28   1.048   1.077  -0.022
  196    H    ALA  29           H        ALA  29  -2.132  -0.509  -0.370
  197    HA   ALA  29           HA       ALA  29  -2.950   0.743  -2.962
  198   1HB   ALA  29          1HB       ALA  29  -4.325  -1.093  -2.616
  199   2HB   ALA  29          2HB       ALA  29  -5.257   0.119  -1.736
  200   3HB   ALA  29          3HB       ALA  29  -4.196  -0.985  -0.861
  201    H    TRP  30           H        TRP  30  -3.186   2.949  -2.881
  202    HA   TRP  30           HA       TRP  30  -3.215   4.423  -0.386
  203   1HB   TRP  30          2HB       TRP  30  -2.341   5.100  -2.711
  204   2HB   TRP  30          1HB       TRP  30  -4.023   5.439  -3.119
  205    HD1  TRP  30           HD       TRP  30  -5.286   7.299  -1.578
  206    HE1  TRP  30           1HE      TRP  30  -4.340   9.375  -0.377
  207    HE3  TRP  30           3HE      TRP  30  -0.319   6.113  -1.553
  208    HZ2  TRP  30           2HZ      TRP  30  -1.809  10.394   0.482
  209    HZ3  TRP  30           3HZ      TRP  30   1.335   7.652  -0.538
  210    HH2  TRP  30           HH       TRP  30   0.598   9.790   0.479
  211    H    ASP  31           H        ASP  31  -4.982   4.786   0.889
  212    HA   ASP  31           HA       ASP  31  -7.655   5.116  -0.360
  213   1HB   ASP  31          2HB       ASP  31  -8.502   3.443   1.438
  214   2HB   ASP  31          1HB       ASP  31  -7.680   2.778   0.031
  215    H    GLY  32           H        GLY  32  -6.182   7.159   0.776
  216   1HA   GLY  32          2HA       GLY  32  -6.649   7.555   3.589
  217   2HA   GLY  32          1HA       GLY  32  -6.261   8.830   2.431
  218    H    THR  33           H        THR  33  -8.279   9.034   0.752
  219    HA   THR  33           HA       THR  33 -10.500  10.029   2.361
  220    HB   THR  33           HB       THR  33 -10.189   9.691  -0.642
  221    HG1  THR  33           1HG      THR  33  -9.112  11.542  -0.608
  222   1HG2  THR  33          1HG2      THR  33 -12.471  10.193  -0.146
  223   2HG2  THR  33          2HG2      THR  33 -11.733  11.726  -0.610
  224   3HG2  THR  33          3HG2      THR  33 -12.016  11.366   1.092
  225    H    PHE  34           H        PHE  34  -9.842   7.083   0.554
  226    HA   PHE  34           HA       PHE  34 -12.470   6.118   0.072
  227   1HB   PHE  34          2HB       PHE  34  -9.758   4.914   0.578
  228   2HB   PHE  34          1HB       PHE  34 -11.156   3.854   0.403
  229    HD1  PHE  34           1HD      PHE  34 -12.280   3.584  -1.717
  230    HD2  PHE  34           2HD      PHE  34  -9.059   6.394  -1.288
  231    HE1  PHE  34           1HE      PHE  34 -12.165   3.830  -4.182
  232    HE2  PHE  34           2HE      PHE  34  -8.945   6.641  -3.751
  233    HZ   PHE  34           HZ       PHE  34 -10.499   5.359  -5.199
  Start of MODEL    8
    1   1H    GLU   1          1HT       GLU   1  11.974   4.455   6.260
    2   2H    GLU   1          2HT       GLU   1  13.232   5.332   5.530
    3   3H    GLU   1          3HT       GLU   1  12.719   3.859   4.857
    4    HA   GLU   1           HA       GLU   1  11.109   6.364   5.003
    5   1HB   GLU   1          2HB       GLU   1  13.163   6.062   3.427
    6   2HB   GLU   1          1HB       GLU   1  12.142   4.910   2.566
    7   1HG   GLU   1          2HG       GLU   1  10.393   6.960   2.803
    8   2HG   GLU   1          1HG       GLU   1  11.907   7.868   2.766
    9    H    CYS   2           H        CYS   2   8.963   6.127   4.266
   10    HA   CYS   2           HA       CYS   2   7.798   3.445   4.453
   11   1HB   CYS   2          2HB       CYS   2   5.703   4.702   4.206
   12   2HB   CYS   2          1HB       CYS   2   6.764   5.529   5.344
   13    H    ARG   3           H        ARG   3   6.000   3.023   2.619
   14    HA   ARG   3           HA       ARG   3   7.485   2.970   0.039
   15   1HB   ARG   3          2HB       ARG   3   6.135   1.069   1.464
   16   2HB   ARG   3          1HB       ARG   3   4.878   1.593   0.341
   17   1HG   ARG   3          2HG       ARG   3   5.854   0.465  -1.342
   18   2HG   ARG   3          1HG       ARG   3   7.367   1.332  -1.084
   19   1HD   ARG   3          2HD       ARG   3   6.509  -1.074   0.564
   20   2HD   ARG   3          1HD       ARG   3   7.610  -1.160  -0.825
   21    HE   ARG   3           HE       ARG   3   8.453   0.894   1.033
   22   1HH1  ARG   3          1HH2      ARG   3   7.885  -1.882   2.429
   23   2HH1  ARG   3          2HH2      ARG   3   9.505  -2.491   2.505
   24   1HH2  ARG   3          1HH1      ARG   3  10.774  -0.142   0.277
   25   2HH2  ARG   3          2HH1      ARG   3  11.147  -1.502   1.283
   26    H    LYS   4           H        LYS   4   5.723   2.965  -1.900
   27    HA   LYS   4           HA       LYS   4   4.017   5.414  -1.543
   28   1HB   LYS   4          2HB       LYS   4   6.125   4.615  -3.470
   29   2HB   LYS   4          1HB       LYS   4   4.704   5.371  -4.190
   30   1HG   LYS   4          2HG       LYS   4   6.193   7.163  -3.672
   31   2HG   LYS   4          1HG       LYS   4   4.951   7.200  -2.421
   32   1HD   LYS   4          2HD       LYS   4   6.422   6.660  -0.777
   33   2HD   LYS   4          1HD       LYS   4   7.235   5.456  -1.776
   34   1HE   LYS   4          2HE       LYS   4   8.823   6.942  -2.489
   35   2HE   LYS   4          1HE       LYS   4   7.658   8.274  -2.612
   36   1HZ   LYS   4          1HZ       LYS   4   7.610   8.442  -0.216
   37   2HZ   LYS   4          2HZ       LYS   4   9.214   8.588  -0.757
   38   3HZ   LYS   4          3HZ       LYS   4   8.680   7.133  -0.062
   39    H    MET   5           H        MET   5   2.530   5.469  -3.729
   40    HA   MET   5           HA       MET   5   0.588   3.397  -3.475
   41   1HB   MET   5          2HB       MET   5   0.555   5.822  -4.491
   42   2HB   MET   5          1HB       MET   5   0.988   5.001  -5.991
   43   1HG   MET   5          2HG       MET   5  -1.037   3.403  -5.141
   44   2HG   MET   5          1HG       MET   5  -1.558   4.950  -4.476
   45   1HE   MET   5          1HE       MET   5  -1.161   7.070  -5.712
   46   2HE   MET   5          2HE       MET   5  -2.869   6.780  -6.033
   47   3HE   MET   5          3HE       MET   5  -1.817   7.328  -7.335
   48    H    PHE   6           H        PHE   6   0.476   1.375  -4.383
   49    HA   PHE   6           HA       PHE   6   1.152  -0.549  -5.574
   50   1HB   PHE   6          2HB       PHE   6   1.287   1.766  -7.504
   51   2HB   PHE   6          1HB       PHE   6   1.708   0.141  -8.045
   52    HD1  PHE   6           1HD      PHE   6   0.032  -1.561  -8.338
   53    HD2  PHE   6           2HD      PHE   6  -0.998   2.239  -6.620
   54    HE1  PHE   6           1HE      PHE   6  -2.375  -2.106  -8.573
   55    HE2  PHE   6           2HE      PHE   6  -3.405   1.693  -6.853
   56    HZ   PHE   6           HZ       PHE   6  -4.094  -0.481  -7.829
   57    H    GLY   7           H        GLY   7   3.222   0.553  -3.909
   58   1HA   GLY   7          2HA       GLY   7   5.675   0.239  -5.590
   59   2HA   GLY   7          1HA       GLY   7   5.628   1.047  -4.024
   60    H    GLY   8           H        GLY   8   3.910  -1.976  -4.476
   61   1HA   GLY   8          2HA       GLY   8   4.401  -4.156  -3.735
   62   2HA   GLY   8          1HA       GLY   8   6.080  -3.664  -3.521
   63    H    CYS   9           H        CYS   9   4.197  -5.171  -1.701
   64    HA   CYS   9           HA       CYS   9   4.842  -3.652   0.759
   65   1HB   CYS   9          2HB       CYS   9   2.543  -3.497   1.463
   66   2HB   CYS   9          1HB       CYS   9   2.618  -2.869  -0.183
   67    H    SER  10           H        SER  10   3.994  -4.993   2.727
   68    HA   SER  10           HA       SER  10   4.067  -7.935   2.161
   69   1HB   SER  10          2HB       SER  10   6.181  -6.399   3.142
   70   2HB   SER  10          1HB       SER  10   5.466  -7.089   4.597
   71    HG   SER  10           HG       SER  10   6.873  -8.599   3.856
   72    H    VAL  11           H        VAL  11   3.682  -5.515   4.775
   73    HA   VAL  11           HA       VAL  11   1.277  -7.029   5.740
   74    HB   VAL  11           HB       VAL  11   3.126  -5.476   7.556
   75   1HG1  VAL  11          1HG1      VAL  11   2.156  -7.902   8.674
   76   2HG1  VAL  11          2HG1      VAL  11   0.804  -7.154   7.824
   77   3HG1  VAL  11          3HG1      VAL  11   1.664  -6.258   9.077
   78   1HG2  VAL  11          1HG2      VAL  11   4.713  -6.925   6.547
   79   2HG2  VAL  11          2HG2      VAL  11   3.556  -8.251   6.434
   80   3HG2  VAL  11          3HG2      VAL  11   4.209  -7.781   8.004
   81    H    ASP  12           H        ASP  12  -0.004  -5.413   7.298
   82    HA   ASP  12           HA       ASP  12  -0.941  -3.224   5.776
   83   1HB   ASP  12          2HB       ASP  12  -1.092  -4.020   8.684
   84   2HB   ASP  12          1HB       ASP  12  -1.928  -2.589   8.081
   85    H    SER  13           H        SER  13   1.402  -3.329   8.449
   86    HA   SER  13           HA       SER  13   1.902  -0.413   8.269
   87   1HB   SER  13          2HB       SER  13   1.715  -1.897  10.383
   88   2HB   SER  13          1HB       SER  13   3.325  -2.476   9.966
   89    HG   SER  13           HG       SER  13   4.143  -0.587  10.485
   90    H    ASP  14           H        ASP  14   2.599  -1.523   5.847
   91    HA   ASP  14           HA       ASP  14   5.597  -1.721   5.963
   92   1HB   ASP  14          2HB       ASP  14   3.762  -3.593   5.141
   93   2HB   ASP  14          1HB       ASP  14   4.173  -2.805   3.619
   94    H    CYS  15           H        CYS  15   3.097   0.326   5.048
   95    HA   CYS  15           HA       CYS  15   4.801   1.599   2.937
   96   1HB   CYS  15          2HB       CYS  15   1.804   1.150   2.959
   97   2HB   CYS  15          1HB       CYS  15   2.672   2.075   1.735
   98    H    CYS  16           H        CYS  16   3.710   3.909   2.490
   99    HA   CYS  16           HA       CYS  16   3.938   5.428   4.945
  100   1HB   CYS  16          2HB       CYS  16   4.018   5.835   2.157
  101   2HB   CYS  16          1HB       CYS  16   2.675   6.821   2.732
  102    H    ALA  17           H        ALA  17   2.026   7.256   5.128
  103    HA   ALA  17           HA       ALA  17  -0.219   5.961   6.273
  104   1HB   ALA  17          1HB       ALA  17   0.433   8.149   6.982
  105   2HB   ALA  17          2HB       ALA  17  -1.135   8.350   6.199
  106   3HB   ALA  17          3HB       ALA  17   0.343   8.779   5.337
  107    H    HIS  18           H        HIS  18  -2.403   5.844   5.544
  108    HA   HIS  18           HA       HIS  18  -4.157   5.581   4.004
  109   1HB   HIS  18          2HB       HIS  18  -2.539   7.281   2.099
  110   2HB   HIS  18          1HB       HIS  18  -4.289   7.197   2.273
  111    HD1  HIS  18           1HD      HIS  18  -1.981   9.630   2.767
  112    HD2  HIS  18           2HD      HIS  18  -4.578   7.827   5.481
  113    HE1  HIS  18           1HE      HIS  18  -2.238  11.249   4.697
  114    H    LEU  19           H        LEU  19  -1.550   3.877   3.864
  115    HA   LEU  19           HA       LEU  19  -2.070   2.779   1.116
  116   1HB   LEU  19          2HB       LEU  19   0.451   3.373   2.637
  117   2HB   LEU  19          1HB       LEU  19   0.451   2.019   1.507
  118    HG   LEU  19           HG       LEU  19  -0.771   4.506   0.481
  119   1HD1  LEU  19          1HD1      LEU  19   0.952   5.891   0.908
  120   2HD1  LEU  19          2HD1      LEU  19   2.030   4.790   0.049
  121   3HD1  LEU  19          3HD1      LEU  19   1.783   4.609   1.786
  122   1HD2  LEU  19          1HD2      LEU  19   0.496   3.829  -1.527
  123   2HD2  LEU  19          2HD2      LEU  19  -0.437   2.476  -0.885
  124   3HD2  LEU  19          3HD2      LEU  19   1.300   2.567  -0.593
  125    H    GLY  20           H        GLY  20  -3.147   0.865   1.410
  126   1HA   GLY  20          2HA       GLY  20  -2.433  -0.813   3.780
  127   2HA   GLY  20          1HA       GLY  20  -3.979  -0.884   2.934
  128    H    CYS  21           H        CYS  21  -1.296  -2.641   3.384
  129    HA   CYS  21           HA       CYS  21  -0.504  -3.430   0.726
  130   1HB   CYS  21          2HB       CYS  21   0.820  -3.760   2.792
  131   2HB   CYS  21          1HB       CYS  21  -0.400  -4.880   3.395
  132    H    LYS  22           H        LYS  22  -1.169  -5.266  -0.496
  133    HA   LYS  22           HA       LYS  22  -3.942  -6.171   0.032
  134   1HB   LYS  22          2HB       LYS  22  -1.985  -6.481  -2.267
  135   2HB   LYS  22          1HB       LYS  22  -3.634  -7.105  -2.293
  136   1HG   LYS  22          2HG       LYS  22  -3.352  -4.256  -1.508
  137   2HG   LYS  22          1HG       LYS  22  -2.967  -4.629  -3.187
  138   1HD   LYS  22          2HD       LYS  22  -5.139  -4.932  -3.704
  139   2HD   LYS  22          1HD       LYS  22  -5.380  -6.009  -2.327
  140   1HE   LYS  22          2HE       LYS  22  -6.324  -4.356  -1.082
  141   2HE   LYS  22          1HE       LYS  22  -5.057  -3.196  -1.529
  142   1HZ   LYS  22          1HZ       LYS  22  -7.282  -4.060  -3.303
  143   2HZ   LYS  22          2HZ       LYS  22  -6.086  -2.911  -3.679
  144   3HZ   LYS  22          3HZ       LYS  22  -7.229  -2.587  -2.465
  145    HA   PRO  23           HA       PRO  23  -2.407  -9.989   1.732
  146   1HB   PRO  23          2HB       PRO  23  -4.803 -11.314   1.816
  147   2HB   PRO  23          1HB       PRO  23  -4.344 -10.067   2.992
  148   1HG   PRO  23          2HG       PRO  23  -6.132  -9.866   0.623
  149   2HG   PRO  23          1HG       PRO  23  -6.283  -9.116   2.219
  150   1HD   PRO  23          2HD       PRO  23  -5.395  -7.791   0.002
  151   2HD   PRO  23          1HD       PRO  23  -4.934  -7.355   1.664
  152    H    THR  24           H        THR  24  -4.832 -10.210  -0.919
  153    HA   THR  24           HA       THR  24  -3.813 -12.751  -1.903
  154    HB   THR  24           HB       THR  24  -6.160 -11.840  -2.132
  155    HG1  THR  24           1HG      THR  24  -4.778 -12.492  -4.522
  156   1HG2  THR  24          1HG2      THR  24  -6.660 -10.167  -3.776
  157   2HG2  THR  24          2HG2      THR  24  -4.994 -10.150  -4.355
  158   3HG2  THR  24          3HG2      THR  24  -5.379  -9.509  -2.758
  159    H    LEU  25           H        LEU  25  -3.198  -9.346  -2.650
  160    HA   LEU  25           HA       LEU  25  -1.365 -10.133  -4.874
  161   1HB   LEU  25          2HB       LEU  25  -3.173  -7.934  -4.250
  162   2HB   LEU  25          1HB       LEU  25  -1.570  -7.334  -4.669
  163    HG   LEU  25           HG       LEU  25  -2.823  -9.479  -6.356
  164   1HD1  LEU  25          1HD1      LEU  25  -4.393  -7.422  -5.937
  165   2HD1  LEU  25          2HD1      LEU  25  -4.126  -7.975  -7.590
  166   3HD1  LEU  25          3HD1      LEU  25  -3.255  -6.568  -6.980
  167   1HD2  LEU  25          1HD2      LEU  25  -0.422  -8.669  -6.593
  168   2HD2  LEU  25          2HD2      LEU  25  -1.079  -7.110  -7.091
  169   3HD2  LEU  25          3HD2      LEU  25  -1.396  -8.550  -8.058
  170    H    LYS  26           H        LYS  26   0.269  -7.744  -4.648
  171    HA   LYS  26           HA       LYS  26   1.535  -7.968  -1.966
  172   1HB   LYS  26          2HB       LYS  26   2.573  -8.916  -4.599
  173   2HB   LYS  26          1HB       LYS  26   3.733  -8.131  -3.526
  174   1HG   LYS  26          2HG       LYS  26   3.903 -10.049  -2.366
  175   2HG   LYS  26          1HG       LYS  26   2.208  -9.885  -1.906
  176   1HD   LYS  26          2HD       LYS  26   2.017 -11.883  -3.007
  177   2HD   LYS  26          1HD       LYS  26   1.901 -10.835  -4.421
  178   1HE   LYS  26          2HE       LYS  26   3.754 -11.839  -5.254
  179   2HE   LYS  26          1HE       LYS  26   4.680 -11.189  -3.888
  180   1HZ   LYS  26          1HZ       LYS  26   4.712 -13.643  -3.975
  181   2HZ   LYS  26          2HZ       LYS  26   3.023 -13.657  -3.781
  182   3HZ   LYS  26          3HZ       LYS  26   4.019 -13.052  -2.544
  183    H    TYR  27           H        TYR  27   0.132  -5.757  -2.811
  184    HA   TYR  27           HA       TYR  27   2.286  -3.728  -3.010
  185   1HB   TYR  27          2HB       TYR  27   1.533  -2.806  -5.039
  186   2HB   TYR  27          1HB       TYR  27   1.330  -4.531  -5.326
  187    HD1  TYR  27           1HD      TYR  27  -0.884  -5.538  -5.451
  188    HD2  TYR  27           2HD      TYR  27  -0.408  -1.363  -4.559
  189    HE1  TYR  27           1HE      TYR  27  -3.306  -5.176  -5.835
  190    HE2  TYR  27           2HE      TYR  27  -2.829  -1.003  -4.941
  191    HH   TYR  27           HH       TYR  27  -5.042  -3.656  -5.343
  192    H    CYS  28           H        CYS  28   1.572  -1.635  -2.236
  193    HA   CYS  28           HA       CYS  28  -0.727  -1.792  -0.392
  194   1HB   CYS  28          2HB       CYS  28   1.590   0.031  -0.919
  195   2HB   CYS  28          1HB       CYS  28   0.205   0.672  -0.033
  196    H    ALA  29           H        ALA  29  -2.680  -0.790  -0.706
  197    HA   ALA  29           HA       ALA  29  -3.092   0.669  -3.284
  198   1HB   ALA  29          1HB       ALA  29  -4.901  -0.797  -1.339
  199   2HB   ALA  29          2HB       ALA  29  -4.449  -1.307  -2.966
  200   3HB   ALA  29          3HB       ALA  29  -5.506   0.088  -2.740
  201    H    TRP  30           H        TRP  30  -2.922   2.865  -2.969
  202    HA   TRP  30           HA       TRP  30  -3.132   4.241  -0.508
  203   1HB   TRP  30          2HB       TRP  30  -2.220   4.908  -2.860
  204   2HB   TRP  30          1HB       TRP  30  -3.867   5.468  -3.158
  205    HD1  TRP  30           HD       TRP  30  -4.829   7.034  -0.938
  206    HE1  TRP  30           1HE      TRP  30  -3.598   9.012   0.164
  207    HE3  TRP  30           3HE      TRP  30  -0.046   6.030  -2.423
  208    HZ2  TRP  30           2HZ      TRP  30  -0.938  10.034   0.386
  209    HZ3  TRP  30           3HZ      TRP  30   1.816   7.522  -1.752
  210    HH2  TRP  30           HH       TRP  30   1.377   9.521  -0.352
  211    H    ASP  31           H        ASP  31  -4.869   4.871   0.698
  212    HA   ASP  31           HA       ASP  31  -7.550   5.145  -0.576
  213   1HB   ASP  31          2HB       ASP  31  -6.643   2.878   0.849
  214   2HB   ASP  31          1HB       ASP  31  -7.706   3.740   1.963
  215    H    GLY  32           H        GLY  32  -6.465   7.417   0.029
  216   1HA   GLY  32          2HA       GLY  32  -6.804   8.113   2.882
  217   2HA   GLY  32          1HA       GLY  32  -6.170   9.177   1.625
  218    H    THR  33           H        THR  33  -7.890   9.700  -0.147
  219    HA   THR  33           HA       THR  33 -10.260  10.778   1.241
  220    HB   THR  33           HB       THR  33 -10.593  11.852  -1.020
  221    HG1  THR  33           1HG      THR  33  -9.384  11.257  -2.646
  222   1HG2  THR  33          1HG2      THR  33  -9.143  13.482  -0.413
  223   2HG2  THR  33          2HG2      THR  33  -7.752  12.402  -0.506
  224   3HG2  THR  33          3HG2      THR  33  -8.751  12.431   0.946
  225    H    PHE  34           H        PHE  34 -12.348  10.680  -0.301
  226    HA   PHE  34           HA       PHE  34 -12.719   7.925  -1.391
  227   1HB   PHE  34          2HB       PHE  34 -14.148   9.279   0.898
  228   2HB   PHE  34          1HB       PHE  34 -14.951   8.016  -0.035
  229    HD1  PHE  34           1HD      PHE  34 -12.978   8.604   2.796
  230    HD2  PHE  34           2HD      PHE  34 -13.365   5.874  -0.500
  231    HE1  PHE  34           1HE      PHE  34 -11.756   6.874   4.085
  232    HE2  PHE  34           2HE      PHE  34 -12.144   4.146   0.791
  233    HZ   PHE  34           HZ       PHE  34 -11.339   4.644   3.082
  Start of MODEL    9
    1   1H    GLU   1          1HT       GLU   1  11.876   4.585   6.235
    2   2H    GLU   1          2HT       GLU   1  11.024   6.053   6.313
    3   3H    GLU   1          3HT       GLU   1  12.687   6.051   5.971
    4    HA   GLU   1           HA       GLU   1  11.325   6.429   3.962
    5   1HB   GLU   1          2HB       GLU   1  13.623   5.243   4.201
    6   2HB   GLU   1          1HB       GLU   1  12.727   3.752   3.904
    7   1HG   GLU   1          2HG       GLU   1  11.847   5.630   1.967
    8   2HG   GLU   1          1HG       GLU   1  13.608   5.724   2.000
    9    H    CYS   2           H        CYS   2   9.041   6.125   4.165
   10    HA   CYS   2           HA       CYS   2   7.947   3.388   4.346
   11   1HB   CYS   2          2HB       CYS   2   5.811   4.593   4.459
   12   2HB   CYS   2          1HB       CYS   2   6.976   5.343   5.544
   13    H    ARG   3           H        ARG   3   6.586   2.474   2.679
   14    HA   ARG   3           HA       ARG   3   7.489   3.035  -0.044
   15   1HB   ARG   3          2HB       ARG   3   5.785   1.064   1.410
   16   2HB   ARG   3          1HB       ARG   3   5.500   1.237  -0.322
   17   1HG   ARG   3          2HG       ARG   3   8.303   0.914   0.738
   18   2HG   ARG   3          1HG       ARG   3   7.276  -0.495   0.475
   19   1HD   ARG   3          2HD       ARG   3   8.108  -0.405  -1.658
   20   2HD   ARG   3          1HD       ARG   3   6.916   0.892  -1.878
   21    HE   ARG   3           HE       ARG   3   9.541   1.675  -0.744
   22   1HH1  ARG   3          1HH2      ARG   3   9.862   0.860  -3.619
   23   2HH1  ARG   3          2HH2      ARG   3   9.577   2.352  -4.451
   24   1HH2  ARG   3          1HH1      ARG   3   8.089   3.898  -1.718
   25   2HH2  ARG   3          2HH1      ARG   3   8.569   4.076  -3.371
   26    H    LYS   4           H        LYS   4   5.893   3.409  -1.825
   27    HA   LYS   4           HA       LYS   4   3.704   5.274  -0.965
   28   1HB   LYS   4          2HB       LYS   4   5.858   5.316  -2.947
   29   2HB   LYS   4          1HB       LYS   4   4.292   5.683  -3.667
   30   1HG   LYS   4          2HG       LYS   4   4.314   7.740  -2.763
   31   2HG   LYS   4          1HG       LYS   4   4.514   7.060  -1.148
   32   1HD   LYS   4          2HD       LYS   4   6.868   7.119  -1.280
   33   2HD   LYS   4          1HD       LYS   4   6.854   7.272  -3.037
   34   1HE   LYS   4          2HE       LYS   4   5.412   9.500  -2.234
   35   2HE   LYS   4          1HE       LYS   4   6.677   9.375  -0.995
   36   1HZ   LYS   4          1HZ       LYS   4   7.418  10.586  -3.001
   37   2HZ   LYS   4          2HZ       LYS   4   7.163   9.182  -3.922
   38   3HZ   LYS   4          3HZ       LYS   4   8.340   9.197  -2.696
   39    H    MET   5           H        MET   5   2.273   5.404  -3.301
   40    HA   MET   5           HA       MET   5   0.489   3.240  -3.261
   41   1HB   MET   5          2HB       MET   5   0.734   5.640  -4.557
   42   2HB   MET   5          1HB       MET   5   0.957   4.512  -5.896
   43   1HG   MET   5          2HG       MET   5  -1.187   3.674  -5.728
   44   2HG   MET   5          1HG       MET   5  -1.283   3.974  -3.994
   45   1HE   MET   5          1HE       MET   5  -0.863   5.720  -7.442
   46   2HE   MET   5          2HE       MET   5  -2.329   6.696  -7.475
   47   3HE   MET   5          3HE       MET   5  -2.450   4.943  -7.348
   48    H    PHE   6           H        PHE   6   0.544   1.176  -4.083
   49    HA   PHE   6           HA       PHE   6   1.377  -0.767  -5.134
   50   1HB   PHE   6          2HB       PHE   6   2.498   1.174  -7.174
   51   2HB   PHE   6          1HB       PHE   6   1.909  -0.462  -7.449
   52    HD1  PHE   6           1HD      PHE   6  -0.654  -0.665  -6.255
   53    HD2  PHE   6           2HD      PHE   6   1.110   2.764  -8.145
   54    HE1  PHE   6           1HE      PHE   6  -2.915   0.229  -6.741
   55    HE2  PHE   6           2HE      PHE   6  -1.150   3.659  -8.630
   56    HZ   PHE   6           HZ       PHE   6  -3.164   2.392  -7.928
   57    H    GLY   7           H        GLY   7   3.035   0.160  -3.076
   58   1HA   GLY   7          2HA       GLY   7   5.790   0.423  -4.010
   59   2HA   GLY   7          1HA       GLY   7   5.273   0.278  -2.331
   60    H    GLY   8           H        GLY   8   3.893  -2.136  -2.375
   61   1HA   GLY   8          2HA       GLY   8   4.231  -4.476  -3.121
   62   2HA   GLY   8          1HA       GLY   8   5.939  -4.098  -3.334
   63    H    CYS   9           H        CYS   9   3.635  -5.349  -1.171
   64    HA   CYS   9           HA       CYS   9   5.673  -5.839   0.875
   65   1HB   CYS   9          2HB       CYS   9   4.368  -4.525   2.610
   66   2HB   CYS   9          1HB       CYS   9   5.164  -3.534   1.387
   67    H    SER  10           H        SER  10   4.266  -6.582   3.007
   68    HA   SER  10           HA       SER  10   2.059  -8.370   2.032
   69   1HB   SER  10          2HB       SER  10   4.452  -9.322   2.478
   70   2HB   SER  10          1HB       SER  10   4.048  -9.107   4.178
   71    HG   SER  10           HG       SER  10   3.039 -10.878   2.290
   72    H    VAL  11           H        VAL  11   3.604  -7.083   5.014
   73    HA   VAL  11           HA       VAL  11   1.084  -7.284   6.521
   74    HB   VAL  11           HB       VAL  11   2.477  -6.395   8.356
   75   1HG1  VAL  11          1HG1      VAL  11   2.655  -8.829   7.402
   76   2HG1  VAL  11          2HG1      VAL  11   3.835  -8.279   8.592
   77   3HG1  VAL  11          3HG1      VAL  11   4.259  -8.312   6.880
   78   1HG2  VAL  11          1HG2      VAL  11   4.892  -5.898   7.889
   79   2HG2  VAL  11          2HG2      VAL  11   3.792  -4.744   7.137
   80   3HG2  VAL  11          3HG2      VAL  11   4.544  -6.007   6.165
   81    H    ASP  12           H        ASP  12  -0.239  -5.536   7.112
   82    HA   ASP  12           HA       ASP  12  -0.563  -3.336   5.416
   83   1HB   ASP  12          2HB       ASP  12  -2.076  -4.374   7.224
   84   2HB   ASP  12          1HB       ASP  12  -1.235  -3.317   8.358
   85    H    SER  13           H        SER  13   1.602  -3.634   8.188
   86    HA   SER  13           HA       SER  13   2.178  -0.737   8.265
   87   1HB   SER  13          2HB       SER  13   2.037  -2.435  10.218
   88   2HB   SER  13          1HB       SER  13   3.636  -2.960   9.700
   89    HG   SER  13           HG       SER  13   3.845  -1.338  11.239
   90    H    ASP  14           H        ASP  14   2.814  -1.408   5.747
   91    HA   ASP  14           HA       ASP  14   5.807  -1.643   5.755
   92   1HB   ASP  14          2HB       ASP  14   3.989  -3.488   4.803
   93   2HB   ASP  14          1HB       ASP  14   4.382  -2.567   3.352
   94    H    CYS  15           H        CYS  15   3.266   0.425   5.137
   95    HA   CYS  15           HA       CYS  15   4.853   1.949   3.110
   96   1HB   CYS  15          2HB       CYS  15   1.894   1.289   3.121
   97   2HB   CYS  15          1HB       CYS  15   2.633   2.459   2.028
   98    H    CYS  16           H        CYS  16   3.633   4.240   2.915
   99    HA   CYS  16           HA       CYS  16   3.746   5.456   5.565
  100   1HB   CYS  16          2HB       CYS  16   3.802   6.206   2.776
  101   2HB   CYS  16          1HB       CYS  16   2.637   7.220   3.628
  102    H    ALA  17           H        ALA  17   1.765   7.224   5.826
  103    HA   ALA  17           HA       ALA  17  -0.509   5.794   6.690
  104   1HB   ALA  17          1HB       ALA  17  -1.474   8.030   6.953
  105   2HB   ALA  17          2HB       ALA  17  -0.288   8.693   5.829
  106   3HB   ALA  17          3HB       ALA  17   0.233   8.071   7.394
  107    H    HIS  18           H        HIS  18  -2.667   5.704   5.795
  108    HA   HIS  18           HA       HIS  18  -4.292   5.481   4.108
  109   1HB   HIS  18          2HB       HIS  18  -2.463   7.283   2.495
  110   2HB   HIS  18          1HB       HIS  18  -4.203   7.088   2.313
  111    HD1  HIS  18           1HD      HIS  18  -5.240   7.388   5.117
  112    HD2  HIS  18           2HD      HIS  18  -2.161   9.780   3.639
  113    HE1  HIS  18           1HE      HIS  18  -5.196   9.471   6.558
  114    H    LEU  19           H        LEU  19  -1.667   3.789   4.141
  115    HA   LEU  19           HA       LEU  19  -2.061   2.654   1.391
  116   1HB   LEU  19          2HB       LEU  19   0.446   3.430   2.867
  117   2HB   LEU  19          1HB       LEU  19   0.502   2.138   1.670
  118    HG   LEU  19           HG       LEU  19  -0.970   4.487   0.737
  119   1HD1  LEU  19          1HD1      LEU  19   1.659   4.829   2.010
  120   2HD1  LEU  19          2HD1      LEU  19   0.463   6.043   1.559
  121   3HD1  LEU  19          3HD1      LEU  19   1.592   5.427   0.353
  122   1HD2  LEU  19          1HD2      LEU  19   0.659   4.148  -1.183
  123   2HD2  LEU  19          2HD2      LEU  19  -0.341   2.747  -0.797
  124   3HD2  LEU  19          3HD2      LEU  19   1.340   2.806  -0.264
  125    H    GLY  20           H        GLY  20  -3.008   0.685   1.794
  126   1HA   GLY  20          2HA       GLY  20  -1.941  -0.941   4.074
  127   2HA   GLY  20          1HA       GLY  20  -3.594  -1.067   3.469
  128    H    CYS  21           H        CYS  21  -0.863  -2.778   3.501
  129    HA   CYS  21           HA       CYS  21  -0.314  -3.472   0.778
  130   1HB   CYS  21          2HB       CYS  21  -0.103  -5.035   3.372
  131   2HB   CYS  21          1HB       CYS  21   0.663  -5.512   1.857
  132    H    LYS  22           H        LYS  22  -1.277  -4.973  -0.596
  133    HA   LYS  22           HA       LYS  22  -3.988  -5.890   0.108
  134   1HB   LYS  22          2HB       LYS  22  -2.290  -5.505  -2.295
  135   2HB   LYS  22          1HB       LYS  22  -3.475  -6.807  -2.405
  136   1HG   LYS  22          2HG       LYS  22  -4.213  -4.041  -1.434
  137   2HG   LYS  22          1HG       LYS  22  -4.277  -4.487  -3.140
  138   1HD   LYS  22          2HD       LYS  22  -5.553  -6.581  -1.719
  139   2HD   LYS  22          1HD       LYS  22  -6.179  -5.073  -1.053
  140   1HE   LYS  22          2HE       LYS  22  -5.968  -5.035  -3.991
  141   2HE   LYS  22          1HE       LYS  22  -7.100  -6.254  -3.373
  142   1HZ   LYS  22          1HZ       LYS  22  -7.024  -3.401  -2.534
  143   2HZ   LYS  22          2HZ       LYS  22  -8.113  -4.578  -1.970
  144   3HZ   LYS  22          3HZ       LYS  22  -8.165  -4.076  -3.591
  145    HA   PRO  23           HA       PRO  23  -2.397  -9.888   1.310
  146   1HB   PRO  23          2HB       PRO  23  -4.833 -11.046   1.781
  147   2HB   PRO  23          1HB       PRO  23  -4.055  -9.928   2.919
  148   1HG   PRO  23          2HG       PRO  23  -6.239  -9.421   0.962
  149   2HG   PRO  23          1HG       PRO  23  -6.026  -8.798   2.605
  150   1HD   PRO  23          2HD       PRO  23  -5.469  -7.348   0.365
  151   2HD   PRO  23          1HD       PRO  23  -4.656  -7.096   1.925
  152    H    THR  24           H        THR  24  -4.978  -9.402  -1.095
  153    HA   THR  24           HA       THR  24  -4.903 -12.032  -2.265
  154    HB   THR  24           HB       THR  24  -5.597  -9.350  -3.517
  155    HG1  THR  24           1HG      THR  24  -7.104  -9.358  -2.074
  156   1HG2  THR  24          1HG2      THR  24  -5.587 -10.949  -5.248
  157   2HG2  THR  24          2HG2      THR  24  -7.271 -10.913  -4.728
  158   3HG2  THR  24          3HG2      THR  24  -6.213 -12.220  -4.197
  159    H    LEU  25           H        LEU  25  -3.287  -8.959  -3.171
  160    HA   LEU  25           HA       LEU  25  -1.475 -10.517  -4.977
  161   1HB   LEU  25          2HB       LEU  25  -2.400  -7.635  -4.844
  162   2HB   LEU  25          1HB       LEU  25  -1.060  -8.136  -5.874
  163    HG   LEU  25           HG       LEU  25  -3.781  -9.457  -5.979
  164   1HD1  LEU  25          1HD1      LEU  25  -2.682  -7.111  -7.550
  165   2HD1  LEU  25          2HD1      LEU  25  -4.160  -7.162  -6.588
  166   3HD1  LEU  25          3HD1      LEU  25  -4.055  -8.076  -8.092
  167   1HD2  LEU  25          1HD2      LEU  25  -1.190  -9.692  -7.415
  168   2HD2  LEU  25          2HD2      LEU  25  -2.633  -9.732  -8.428
  169   3HD2  LEU  25          3HD2      LEU  25  -2.434 -10.909  -7.131
  170    H    LYS  26           H        LYS  26  -0.022  -7.589  -4.473
  171    HA   LYS  26           HA       LYS  26   1.184  -8.026  -1.851
  172   1HB   LYS  26          2HB       LYS  26   2.171  -9.387  -4.184
  173   2HB   LYS  26          1HB       LYS  26   3.382  -8.213  -3.671
  174   1HG   LYS  26          2HG       LYS  26   3.627  -9.189  -1.558
  175   2HG   LYS  26          1HG       LYS  26   2.055  -9.986  -1.637
  176   1HD   LYS  26          2HD       LYS  26   2.868 -11.545  -3.312
  177   2HD   LYS  26          1HD       LYS  26   4.406 -10.688  -3.417
  178   1HE   LYS  26          2HE       LYS  26   4.970 -12.428  -1.953
  179   2HE   LYS  26          1HE       LYS  26   4.472 -11.179  -0.796
  180   1HZ   LYS  26          1HZ       LYS  26   2.697 -13.268  -1.953
  181   2HZ   LYS  26          2HZ       LYS  26   2.223 -12.062  -0.852
  182   3HZ   LYS  26          3HZ       LYS  26   3.316 -13.272  -0.374
  183    H    TYR  27           H        TYR  27   0.027  -5.728  -2.496
  184    HA   TYR  27           HA       TYR  27   2.263  -3.819  -2.748
  185   1HB   TYR  27          2HB       TYR  27   1.443  -2.772  -4.751
  186   2HB   TYR  27          1HB       TYR  27   1.470  -4.503  -5.082
  187    HD1  TYR  27           1HD      TYR  27  -0.659  -1.571  -4.462
  188    HD2  TYR  27           2HD      TYR  27  -0.613  -5.801  -5.212
  189    HE1  TYR  27           1HE      TYR  27  -3.082  -1.506  -4.973
  190    HE2  TYR  27           2HE      TYR  27  -3.038  -5.735  -5.721
  191    HH   TYR  27           HH       TYR  27  -5.037  -3.372  -4.854
  192    H    CYS  28           H        CYS  28   1.628  -1.661  -2.033
  193    HA   CYS  28           HA       CYS  28  -0.605  -1.684  -0.136
  194   1HB   CYS  28          2HB       CYS  28   1.591   0.200  -0.953
  195   2HB   CYS  28          1HB       CYS  28   0.255   0.804   0.029
  196    H    ALA  29           H        ALA  29  -2.619  -0.826  -0.460
  197    HA   ALA  29           HA       ALA  29  -3.176   0.464  -3.100
  198   1HB   ALA  29          1HB       ALA  29  -5.497  -0.252  -2.601
  199   2HB   ALA  29          2HB       ALA  29  -4.975  -0.831  -1.020
  200   3HB   ALA  29          3HB       ALA  29  -4.383  -1.613  -2.484
  201    H    TRP  30           H        TRP  30  -2.836   2.664  -2.772
  202    HA   TRP  30           HA       TRP  30  -3.147   4.157  -0.412
  203   1HB   TRP  30          2HB       TRP  30  -2.066   4.973  -2.447
  204   2HB   TRP  30          1HB       TRP  30  -3.604   4.927  -3.311
  205    HD1  TRP  30           HD       TRP  30  -5.297   6.866  -2.925
  206    HE1  TRP  30           1HE      TRP  30  -5.168   9.118  -1.677
  207    HE3  TRP  30           3HE      TRP  30  -0.973   6.171  -0.306
  208    HZ2  TRP  30           2HZ      TRP  30  -3.453  10.447   0.186
  209    HZ3  TRP  30           3HZ      TRP  30  -0.113   7.944   1.195
  210    HH2  TRP  30           HH       TRP  30  -1.347  10.080   1.444
  211    H    ASP  31           H        ASP  31  -4.939   4.544   0.808
  212    HA   ASP  31           HA       ASP  31  -7.548   5.023  -0.526
  213   1HB   ASP  31          2HB       ASP  31  -6.936   2.522   0.240
  214   2HB   ASP  31          1HB       ASP  31  -7.507   3.134   1.793
  215    H    GLY  32           H        GLY  32  -6.000   6.967   0.688
  216   1HA   GLY  32          2HA       GLY  32  -7.505   7.498   3.225
  217   2HA   GLY  32          1HA       GLY  32  -5.806   7.927   3.053
  218    H    THR  33           H        THR  33  -8.197   8.259   0.486
  219    HA   THR  33           HA       THR  33  -7.718  11.212   0.509
  220    HB   THR  33           HB       THR  33  -9.069  10.060  -1.822
  221    HG1  THR  33           1HG      THR  33  -7.754   8.488  -2.273
  222   1HG2  THR  33          1HG2      THR  33  -7.820  12.269  -1.583
  223   2HG2  THR  33          2HG2      THR  33  -7.430  11.310  -3.011
  224   3HG2  THR  33          3HG2      THR  33  -6.333  11.321  -1.630
  225    H    PHE  34           H        PHE  34 -10.228   8.735   0.588
  226    HA   PHE  34           HA       PHE  34 -12.277  10.886   1.017
  227   1HB   PHE  34          2HB       PHE  34 -13.850   9.280  -0.133
  228   2HB   PHE  34          1HB       PHE  34 -12.564   9.882  -1.174
  229    HD1  PHE  34           1HD      PHE  34 -10.848   8.420  -2.034
  230    HD2  PHE  34           2HD      PHE  34 -13.733   6.969   0.803
  231    HE1  PHE  34           1HE      PHE  34 -10.118   6.093  -2.479
  232    HE2  PHE  34           2HE      PHE  34 -12.999   4.643   0.356
  233    HZ   PHE  34           HZ       PHE  34 -11.192   4.206  -1.286
  Start of MODEL   10
    1   1H    GLU   1          1HT       GLU   1  11.878   5.989   5.242
    2   2H    GLU   1          2HT       GLU   1  13.365   6.250   4.464
    3   3H    GLU   1          3HT       GLU   1  12.801   4.667   4.716
    4    HA   GLU   1           HA       GLU   1  11.511   6.691   2.950
    5   1HB   GLU   1          2HB       GLU   1  13.589   4.581   2.649
    6   2HB   GLU   1          1HB       GLU   1  12.363   4.636   1.384
    7   1HG   GLU   1          2HG       GLU   1  13.850   6.170   0.514
    8   2HG   GLU   1          1HG       GLU   1  12.882   7.255   1.511
    9    H    CYS   2           H        CYS   2   9.332   6.267   3.098
   10    HA   CYS   2           HA       CYS   2   8.364   3.558   3.783
   11   1HB   CYS   2          2HB       CYS   2   6.225   4.700   3.992
   12   2HB   CYS   2          1HB       CYS   2   7.464   5.699   4.751
   13    H    ARG   3           H        ARG   3   6.484   2.689   2.432
   14    HA   ARG   3           HA       ARG   3   7.276   2.627  -0.407
   15   1HB   ARG   3          2HB       ARG   3   6.005   0.941   1.511
   16   2HB   ARG   3          1HB       ARG   3   4.858   1.193   0.196
   17   1HG   ARG   3          2HG       ARG   3   6.222  -0.734  -0.352
   18   2HG   ARG   3          1HG       ARG   3   6.683   0.589  -1.423
   19   1HD   ARG   3          2HD       ARG   3   8.734  -0.417  -0.610
   20   2HD   ARG   3          1HD       ARG   3   8.549   1.125   0.247
   21    HE   ARG   3           HE       ARG   3   7.751  -0.115   2.202
   22   1HH1  ARG   3          1HH2      ARG   3  10.340  -1.503   1.127
   23   2HH1  ARG   3          2HH2      ARG   3   9.902  -3.163   1.357
   24   1HH2  ARG   3          1HH1      ARG   3   6.528  -2.484   1.831
   25   2HH2  ARG   3          2HH1      ARG   3   7.741  -3.719   1.756
   26    H    LYS   4           H        LYS   4   6.048   3.476  -2.109
   27    HA   LYS   4           HA       LYS   4   3.872   5.375  -1.351
   28   1HB   LYS   4          2HB       LYS   4   5.788   5.025  -3.656
   29   2HB   LYS   4          1HB       LYS   4   4.371   6.063  -3.823
   30   1HG   LYS   4          2HG       LYS   4   5.102   7.258  -1.722
   31   2HG   LYS   4          1HG       LYS   4   6.600   6.330  -1.791
   32   1HD   LYS   4          2HD       LYS   4   6.708   7.220  -4.263
   33   2HD   LYS   4          1HD       LYS   4   5.608   8.460  -3.661
   34   1HE   LYS   4          2HE       LYS   4   7.360   9.559  -2.740
   35   2HE   LYS   4          1HE       LYS   4   7.728   8.136  -1.746
   36   1HZ   LYS   4          1HZ       LYS   4   8.520   8.471  -4.593
   37   2HZ   LYS   4          2HZ       LYS   4   8.914   7.158  -3.585
   38   3HZ   LYS   4          3HZ       LYS   4   9.556   8.701  -3.271
   39    H    MET   5           H        MET   5   2.431   5.560  -3.654
   40    HA   MET   5           HA       MET   5   0.583   3.415  -3.581
   41   1HB   MET   5          2HB       MET   5   1.158   5.811  -5.174
   42   2HB   MET   5          1HB       MET   5   0.365   4.547  -6.113
   43   1HG   MET   5          2HG       MET   5  -1.566   4.623  -4.850
   44   2HG   MET   5          1HG       MET   5  -0.716   5.126  -3.389
   45   1HE   MET   5          1HE       MET   5  -1.462   6.428  -7.123
   46   2HE   MET   5          2HE       MET   5  -2.672   7.601  -6.610
   47   3HE   MET   5          3HE       MET   5  -2.857   5.906  -6.170
   48    H    PHE   6           H        PHE   6   0.616   1.397  -4.478
   49    HA   PHE   6           HA       PHE   6   1.356  -0.482  -5.693
   50   1HB   PHE   6          2HB       PHE   6   2.057   1.680  -7.711
   51   2HB   PHE   6          1HB       PHE   6   1.747  -0.016  -8.067
   52    HD1  PHE   6           1HD      PHE   6  -0.600  -0.690  -6.506
   53    HD2  PHE   6           2HD      PHE   6   0.306   2.956  -8.589
   54    HE1  PHE   6           1HE      PHE   6  -3.022  -0.203  -6.708
   55    HE2  PHE   6           2HE      PHE   6  -2.116   3.442  -8.790
   56    HZ   PHE   6           HZ       PHE   6  -3.781   1.864  -7.850
   57    H    GLY   7           H        GLY   7   3.223   0.307  -3.811
   58   1HA   GLY   7          2HA       GLY   7   5.857   0.488  -5.162
   59   2HA   GLY   7          1HA       GLY   7   5.573   0.634  -3.427
   60    H    GLY   8           H        GLY   8   4.237  -1.617  -2.751
   61   1HA   GLY   8          2HA       GLY   8   4.384  -4.100  -3.341
   62   2HA   GLY   8          1HA       GLY   8   6.112  -3.808  -3.561
   63    H    CYS   9           H        CYS   9   3.808  -4.823  -1.342
   64    HA   CYS   9           HA       CYS   9   5.786  -4.629   0.877
   65   1HB   CYS   9          2HB       CYS   9   3.914  -3.747   2.336
   66   2HB   CYS   9          1HB       CYS   9   4.444  -2.624   1.085
   67    H    SER  10           H        SER  10   4.495  -5.708   2.923
   68    HA   SER  10           HA       SER  10   3.247  -8.247   1.915
   69   1HB   SER  10          2HB       SER  10   5.631  -8.366   2.767
   70   2HB   SER  10          1HB       SER  10   5.033  -7.849   4.340
   71    HG   SER  10           HG       SER  10   5.167 -10.139   4.131
   72    H    VAL  11           H        VAL  11   3.608  -6.172   4.821
   73    HA   VAL  11           HA       VAL  11   0.800  -6.898   5.599
   74    HB   VAL  11           HB       VAL  11   3.044  -5.840   7.348
   75   1HG1  VAL  11          1HG1      VAL  11   0.317  -7.024   7.819
   76   2HG1  VAL  11          2HG1      VAL  11   1.016  -5.554   8.497
   77   3HG1  VAL  11          3HG1      VAL  11   1.562  -7.132   9.063
   78   1HG2  VAL  11          1HG2      VAL  11   2.286  -8.680   6.622
   79   2HG2  VAL  11          2HG2      VAL  11   3.179  -8.292   8.092
   80   3HG2  VAL  11          3HG2      VAL  11   3.875  -7.921   6.515
   81    H    ASP  12           H        ASP  12  -0.343  -5.056   6.772
   82    HA   ASP  12           HA       ASP  12  -0.446  -2.697   5.216
   83   1HB   ASP  12          2HB       ASP  12  -1.570  -3.746   7.739
   84   2HB   ASP  12          1HB       ASP  12  -1.572  -1.987   7.601
   85    H    SER  13           H        SER  13   1.603  -3.502   7.947
   86    HA   SER  13           HA       SER  13   2.394  -0.686   8.403
   87   1HB   SER  13          2HB       SER  13   2.163  -2.924   9.973
   88   2HB   SER  13          1HB       SER  13   3.893  -2.917   9.646
   89    HG   SER  13           HG       SER  13   4.095  -1.049  10.681
   90    H    ASP  14           H        ASP  14   2.961  -1.783   5.747
   91    HA   ASP  14           HA       ASP  14   5.963  -1.748   5.800
   92   1HB   ASP  14          2HB       ASP  14   3.954  -3.430   4.323
   93   2HB   ASP  14          1HB       ASP  14   5.545  -3.154   3.617
   94    H    CYS  15           H        CYS  15   3.525   0.250   5.180
   95    HA   CYS  15           HA       CYS  15   4.822   1.396   2.733
   96   1HB   CYS  15          2HB       CYS  15   1.841   1.250   3.271
   97   2HB   CYS  15          1HB       CYS  15   2.625   1.782   1.785
   98    H    CYS  16           H        CYS  16   3.539   3.722   2.445
   99    HA   CYS  16           HA       CYS  16   4.289   5.268   4.813
  100   1HB   CYS  16          2HB       CYS  16   4.045   5.655   2.050
  101   2HB   CYS  16          1HB       CYS  16   2.769   6.657   2.740
  102    H    ALA  17           H        ALA  17   2.395   7.242   4.988
  103    HA   ALA  17           HA       ALA  17   0.346   6.077   6.596
  104   1HB   ALA  17          1HB       ALA  17  -0.503   8.481   6.535
  105   2HB   ALA  17          2HB       ALA  17   0.811   8.818   5.408
  106   3HB   ALA  17          3HB       ALA  17   1.172   8.281   7.048
  107    H    HIS  18           H        HIS  18  -1.888   5.856   6.189
  108    HA   HIS  18           HA       HIS  18  -3.834   5.451   4.938
  109   1HB   HIS  18          2HB       HIS  18  -2.503   7.556   3.201
  110   2HB   HIS  18          1HB       HIS  18  -4.182   7.043   3.043
  111    HD1  HIS  18           1HD      HIS  18  -5.198   6.943   5.842
  112    HD2  HIS  18           2HD      HIS  18  -2.596   9.951   4.586
  113    HE1  HIS  18           1HE      HIS  18  -5.479   8.860   7.472
  114    H    LEU  19           H        LEU  19  -1.168   4.003   4.289
  115    HA   LEU  19           HA       LEU  19  -1.959   3.027   1.561
  116   1HB   LEU  19          2HB       LEU  19   0.624   3.651   2.906
  117   2HB   LEU  19          1HB       LEU  19   0.614   2.239   1.850
  118    HG   LEU  19           HG       LEU  19  -0.564   4.854   0.933
  119   1HD1  LEU  19          1HD1      LEU  19   2.328   3.973   0.718
  120   2HD1  LEU  19          2HD1      LEU  19   1.731   5.353   1.640
  121   3HD1  LEU  19          3HD1      LEU  19   1.625   5.356  -0.121
  122   1HD2  LEU  19          1HD2      LEU  19  -0.533   3.884  -1.163
  123   2HD2  LEU  19          2HD2      LEU  19  -0.705   2.430  -0.181
  124   3HD2  LEU  19          3HD2      LEU  19   0.881   2.894  -0.799
  125    H    GLY  20           H        GLY  20  -3.104   1.152   1.893
  126   1HA   GLY  20          2HA       GLY  20  -2.241  -0.694   4.067
  127   2HA   GLY  20          1HA       GLY  20  -3.811  -0.730   3.265
  128    H    CYS  21           H        CYS  21  -1.189  -2.565   3.544
  129    HA   CYS  21           HA       CYS  21  -0.372  -3.137   0.847
  130   1HB   CYS  21          2HB       CYS  21   0.589  -3.757   3.230
  131   2HB   CYS  21          1HB       CYS  21  -0.409  -5.199   3.035
  132    H    LYS  22           H        LYS  22  -1.556  -4.103  -0.735
  133    HA   LYS  22           HA       LYS  22  -4.217  -5.104  -0.368
  134   1HB   LYS  22          2HB       LYS  22  -3.121  -4.146  -2.446
  135   2HB   LYS  22          1HB       LYS  22  -2.273  -5.682  -2.625
  136   1HG   LYS  22          2HG       LYS  22  -4.280  -5.717  -4.007
  137   2HG   LYS  22          1HG       LYS  22  -4.479  -6.851  -2.672
  138   1HD   LYS  22          2HD       LYS  22  -6.241  -5.708  -1.845
  139   2HD   LYS  22          1HD       LYS  22  -5.386  -4.170  -1.959
  140   1HE   LYS  22          2HE       LYS  22  -6.462  -3.622  -3.884
  141   2HE   LYS  22          1HE       LYS  22  -6.138  -5.215  -4.595
  142   1HZ   LYS  22          1HZ       LYS  22  -7.907  -6.155  -3.268
  143   2HZ   LYS  22          2HZ       LYS  22  -8.518  -4.861  -4.184
  144   3HZ   LYS  22          3HZ       LYS  22  -8.202  -4.658  -2.528
  145    HA   PRO  23           HA       PRO  23  -3.023  -9.134   1.171
  146   1HB   PRO  23          2HB       PRO  23  -5.572 -10.126   1.376
  147   2HB   PRO  23          1HB       PRO  23  -4.860  -9.024   2.571
  148   1HG   PRO  23          2HG       PRO  23  -6.746  -8.436   0.343
  149   2HG   PRO  23          1HG       PRO  23  -6.705  -7.786   1.991
  150   1HD   PRO  23          2HD       PRO  23  -5.780  -6.417  -0.166
  151   2HD   PRO  23          1HD       PRO  23  -5.123  -6.209   1.472
  152    H    THR  24           H        THR  24  -5.507  -8.788  -1.410
  153    HA   THR  24           HA       THR  24  -5.336 -11.401  -2.519
  154    HB   THR  24           HB       THR  24  -5.799  -9.771  -4.684
  155    HG1  THR  24           1HG      THR  24  -6.026  -7.813  -4.011
  156   1HG2  THR  24          1HG2      THR  24  -7.749 -10.428  -2.462
  157   2HG2  THR  24          2HG2      THR  24  -7.310 -11.500  -3.792
  158   3HG2  THR  24          3HG2      THR  24  -8.182 -10.002  -4.117
  159    H    LEU  25           H        LEU  25  -3.548  -8.445  -3.489
  160    HA   LEU  25           HA       LEU  25  -1.585 -10.158  -4.952
  161   1HB   LEU  25          2HB       LEU  25  -2.447  -7.261  -5.039
  162   2HB   LEU  25          1HB       LEU  25  -0.936  -7.770  -5.791
  163    HG   LEU  25           HG       LEU  25  -2.663  -9.674  -6.735
  164   1HD1  LEU  25          1HD1      LEU  25  -4.188  -7.154  -6.161
  165   2HD1  LEU  25          2HD1      LEU  25  -4.721  -8.832  -6.054
  166   3HD1  LEU  25          3HD1      LEU  25  -4.555  -8.058  -7.631
  167   1HD2  LEU  25          1HD2      LEU  25  -1.976  -6.959  -7.908
  168   2HD2  LEU  25          2HD2      LEU  25  -2.647  -8.301  -8.837
  169   3HD2  LEU  25          3HD2      LEU  25  -1.054  -8.452  -8.095
  170    H    LYS  26           H        LYS  26  -0.075  -7.263  -4.319
  171    HA   LYS  26           HA       LYS  26   0.758  -7.634  -1.558
  172   1HB   LYS  26          2HB       LYS  26   2.037  -9.115  -3.730
  173   2HB   LYS  26          1HB       LYS  26   3.197  -8.102  -2.873
  174   1HG   LYS  26          2HG       LYS  26   1.491  -9.357  -0.938
  175   2HG   LYS  26          1HG       LYS  26   2.098 -10.595  -2.036
  176   1HD   LYS  26          2HD       LYS  26   4.314  -8.955  -1.543
  177   2HD   LYS  26          1HD       LYS  26   3.520  -9.108   0.023
  178   1HE   LYS  26          2HE       LYS  26   4.923 -11.002  -0.009
  179   2HE   LYS  26          1HE       LYS  26   3.394 -11.672  -0.609
  180   1HZ   LYS  26          1HZ       LYS  26   4.126 -11.230  -2.873
  181   2HZ   LYS  26          2HZ       LYS  26   5.233 -12.245  -2.081
  182   3HZ   LYS  26          3HZ       LYS  26   5.595 -10.600  -2.301
  183    H    TYR  27           H        TYR  27  -0.100  -5.293  -2.482
  184    HA   TYR  27           HA       TYR  27   2.374  -3.650  -2.757
  185   1HB   TYR  27          2HB       TYR  27   1.412  -2.452  -4.668
  186   2HB   TYR  27          1HB       TYR  27   1.484  -4.175  -5.026
  187    HD1  TYR  27           1HD      TYR  27  -0.761  -1.378  -4.070
  188    HD2  TYR  27           2HD      TYR  27  -0.524  -5.484  -5.316
  189    HE1  TYR  27           1HE      TYR  27  -3.201  -1.388  -4.506
  190    HE2  TYR  27           2HE      TYR  27  -2.964  -5.490  -5.750
  191    HH   TYR  27           HH       TYR  27  -4.742  -3.036  -6.261
  192    H    CYS  28           H        CYS  28   1.947  -1.320  -2.290
  193    HA   CYS  28           HA       CYS  28   0.015  -1.018  -0.091
  194   1HB   CYS  28          2HB       CYS  28   1.780   1.073  -1.403
  195   2HB   CYS  28          1HB       CYS  28   1.142   1.090   0.240
  196    H    ALA  29           H        ALA  29  -1.986  -0.067  -0.268
  197    HA   ALA  29           HA       ALA  29  -2.676   1.268  -2.870
  198   1HB   ALA  29          1HB       ALA  29  -3.702  -1.013  -2.099
  199   2HB   ALA  29          2HB       ALA  29  -4.794   0.231  -2.705
  200   3HB   ALA  29          3HB       ALA  29  -4.631  -0.029  -0.968
  201    H    TRP  30           H        TRP  30  -2.781   3.468  -2.517
  202    HA   TRP  30           HA       TRP  30  -3.115   4.652   0.095
  203   1HB   TRP  30          2HB       TRP  30  -1.994   5.544  -2.063
  204   2HB   TRP  30          1HB       TRP  30  -3.623   6.006  -2.559
  205    HD1  TRP  30           HD       TRP  30  -4.977   7.617  -0.758
  206    HE1  TRP  30           1HE      TRP  30  -4.053   9.530   0.705
  207    HE3  TRP  30           3HE      TRP  30  -0.004   6.458  -0.828
  208    HZ2  TRP  30           2HZ      TRP  30  -1.538  10.445   1.712
  209    HZ3  TRP  30           3HZ      TRP  30   1.633   7.866   0.391
  210    HH2  TRP  30           HH       TRP  30   0.871   9.856   1.659
  211    H    ASP  31           H        ASP  31  -5.023   4.666   1.203
  212    HA   ASP  31           HA       ASP  31  -7.558   5.204  -0.299
  213   1HB   ASP  31          2HB       ASP  31  -6.673   2.790   1.031
  214   2HB   ASP  31          1HB       ASP  31  -8.105   3.420   1.843
  215    H    GLY  32           H        GLY  32  -6.411   7.303   0.904
  216   1HA   GLY  32          2HA       GLY  32  -7.106   7.531   3.737
  217   2HA   GLY  32          1HA       GLY  32  -6.470   8.822   2.720
  218    H    THR  33           H        THR  33  -8.557   8.486   0.652
  219    HA   THR  33           HA       THR  33 -10.601  10.178   1.862
  220    HB   THR  33           HB       THR  33 -11.575   9.851  -0.528
  221    HG1  THR  33           1HG      THR  33  -9.072   9.045  -1.338
  222   1HG2  THR  33          1HG2      THR  33  -9.190  11.271   0.419
  223   2HG2  THR  33          2HG2      THR  33 -10.545  11.865  -0.540
  224   3HG2  THR  33          3HG2      THR  33  -9.207  11.031  -1.327
  225    H    PHE  34           H        PHE  34 -11.066   7.190  -0.052
  226    HA   PHE  34           HA       PHE  34 -13.379   6.520   1.726
  227   1HB   PHE  34          2HB       PHE  34 -14.229   5.295  -0.182
  228   2HB   PHE  34          1HB       PHE  34 -13.699   6.875  -0.749
  229    HD1  PHE  34           1HD      PHE  34 -11.769   7.114  -2.200
  230    HD2  PHE  34           2HD      PHE  34 -12.906   3.262  -0.675
  231    HE1  PHE  34           1HE      PHE  34 -10.255   6.020  -3.829
  232    HE2  PHE  34           2HE      PHE  34 -11.388   2.169  -2.303
  233    HZ   PHE  34           HZ       PHE  34 -10.063   3.548  -3.880
  Start of MODEL   11
    1   1H    GLU   1          1HT       GLU   1  12.517   4.610   3.960
    2   2H    GLU   1          2HT       GLU   1  13.282   5.731   2.942
    3   3H    GLU   1          3HT       GLU   1  12.625   4.305   2.296
    4    HA   GLU   1           HA       GLU   1  11.076   6.532   3.529
    5   1HB   GLU   1          2HB       GLU   1  12.024   5.793   0.819
    6   2HB   GLU   1          1HB       GLU   1  10.326   6.266   0.910
    7   1HG   GLU   1          2HG       GLU   1  12.440   7.929   2.267
    8   2HG   GLU   1          1HG       GLU   1  12.120   8.126   0.543
    9    H    CYS   2           H        CYS   2   8.829   6.126   3.673
   10    HA   CYS   2           HA       CYS   2   7.972   3.413   4.091
   11   1HB   CYS   2          2HB       CYS   2   5.740   4.514   4.301
   12   2HB   CYS   2          1HB       CYS   2   6.993   5.369   5.201
   13    H    ARG   3           H        ARG   3   6.245   2.287   2.838
   14    HA   ARG   3           HA       ARG   3   6.768   2.408  -0.048
   15   1HB   ARG   3          2HB       ARG   3   6.114   0.466   1.799
   16   2HB   ARG   3          1HB       ARG   3   4.587   0.703   0.947
   17   1HG   ARG   3          2HG       ARG   3   5.485  -0.760  -0.553
   18   2HG   ARG   3          1HG       ARG   3   6.321   0.672  -1.151
   19   1HD   ARG   3          2HD       ARG   3   8.030  -0.025   0.829
   20   2HD   ARG   3          1HD       ARG   3   7.398  -1.627   0.404
   21    HE   ARG   3           HE       ARG   3   7.885  -0.456  -2.057
   22   1HH1  ARG   3          1HH2      ARG   3   9.486  -2.737  -0.724
   23   2HH1  ARG   3          2HH2      ARG   3  11.095  -2.113  -0.855
   24   1HH2  ARG   3          1HH1      ARG   3  10.062   1.127  -1.572
   25   2HH2  ARG   3          2HH1      ARG   3  11.423   0.082  -1.336
   26    H    LYS   4           H        LYS   4   5.492   3.417  -1.548
   27    HA   LYS   4           HA       LYS   4   2.942   4.669  -0.611
   28   1HB   LYS   4          2HB       LYS   4   5.207   5.575  -2.013
   29   2HB   LYS   4          1HB       LYS   4   3.930   5.472  -3.225
   30   1HG   LYS   4          2HG       LYS   4   2.511   6.943  -2.025
   31   2HG   LYS   4          1HG       LYS   4   3.454   6.773  -0.543
   32   1HD   LYS   4          2HD       LYS   4   5.368   7.899  -1.658
   33   2HD   LYS   4          1HD       LYS   4   4.373   8.123  -3.097
   34   1HE   LYS   4          2HE       LYS   4   2.701   9.191  -1.259
   35   2HE   LYS   4          1HE       LYS   4   4.257   9.550  -0.484
   36   1HZ   LYS   4          1HZ       LYS   4   3.665  11.285  -2.067
   37   2HZ   LYS   4          2HZ       LYS   4   3.550  10.138  -3.314
   38   3HZ   LYS   4          3HZ       LYS   4   5.051  10.458  -2.584
   39    H    MET   5           H        MET   5   1.660   5.072  -2.992
   40    HA   MET   5           HA       MET   5   0.232   2.714  -3.522
   41   1HB   MET   5          2HB       MET   5   0.229   5.368  -4.329
   42   2HB   MET   5          1HB       MET   5   0.532   4.500  -5.834
   43   1HG   MET   5          2HG       MET   5  -1.431   3.058  -5.386
   44   2HG   MET   5          1HG       MET   5  -1.747   3.964  -3.906
   45   1HE   MET   5          1HE       MET   5  -3.617   4.283  -7.567
   46   2HE   MET   5          2HE       MET   5  -4.485   4.410  -6.040
   47   3HE   MET   5          3HE       MET   5  -3.286   3.137  -6.261
   48    H    PHE   6           H        PHE   6   0.597   0.929  -4.783
   49    HA   PHE   6           HA       PHE   6   1.739  -0.613  -6.154
   50   1HB   PHE   6          2HB       PHE   6   2.578   1.943  -7.565
   51   2HB   PHE   6          1HB       PHE   6   2.487   0.335  -8.277
   52    HD1  PHE   6           1HD      PHE   6   0.914   3.245  -8.577
   53    HD2  PHE   6           2HD      PHE   6  -0.032  -0.733  -7.264
   54    HE1  PHE   6           1HE      PHE   6  -1.472   3.628  -9.136
   55    HE2  PHE   6           2HE      PHE   6  -2.416  -0.352  -7.821
   56    HZ   PHE   6           HZ       PHE   6  -3.137   1.829  -8.759
   57    H    GLY   7           H        GLY   7   3.125  -0.017  -3.814
   58   1HA   GLY   7          2HA       GLY   7   5.953   0.415  -4.665
   59   2HA   GLY   7          1HA       GLY   7   5.360   0.577  -3.014
   60    H    GLY   8           H        GLY   8   3.762  -1.975  -3.301
   61   1HA   GLY   8          2HA       GLY   8   4.177  -4.338  -3.391
   62   2HA   GLY   8          1HA       GLY   8   5.901  -4.007  -3.562
   63    H    CYS   9           H        CYS   9   3.838  -5.370  -1.478
   64    HA   CYS   9           HA       CYS   9   5.585  -4.784   0.855
   65   1HB   CYS   9          2HB       CYS   9   3.603  -4.190   2.218
   66   2HB   CYS   9          1HB       CYS   9   3.791  -3.085   0.857
   67    H    SER  10           H        SER  10   4.397  -6.088   2.832
   68    HA   SER  10           HA       SER  10   3.566  -8.781   1.807
   69   1HB   SER  10          2HB       SER  10   5.937  -8.845   2.339
   70   2HB   SER  10          1HB       SER  10   5.655  -8.044   3.882
   71    HG   SER  10           HG       SER  10   5.023 -10.664   3.064
   72    H    VAL  11           H        VAL  11   3.884  -6.745   4.747
   73    HA   VAL  11           HA       VAL  11   1.339  -7.965   5.769
   74    HB   VAL  11           HB       VAL  11   2.260  -7.310   8.009
   75   1HG1  VAL  11          1HG1      VAL  11   2.657  -9.570   7.004
   76   2HG1  VAL  11          2HG1      VAL  11   3.939  -9.068   8.107
   77   3HG1  VAL  11          3HG1      VAL  11   4.190  -8.975   6.364
   78   1HG2  VAL  11          1HG2      VAL  11   3.731  -5.460   6.956
   79   2HG2  VAL  11          2HG2      VAL  11   4.865  -6.756   6.577
   80   3HG2  VAL  11          3HG2      VAL  11   4.446  -6.416   8.255
   81    H    ASP  12           H        ASP  12  -0.078  -6.442   6.979
   82    HA   ASP  12           HA       ASP  12  -0.749  -4.102   5.603
   83   1HB   ASP  12          2HB       ASP  12  -1.312  -5.336   8.235
   84   2HB   ASP  12          1HB       ASP  12  -1.667  -3.610   8.121
   85    H    SER  13           H        SER  13   1.499  -4.463   8.330
   86    HA   SER  13           HA       SER  13   1.961  -1.546   8.474
   87   1HB   SER  13          2HB       SER  13   2.983  -3.992   9.932
   88   2HB   SER  13          1HB       SER  13   3.636  -2.386  10.241
   89    HG   SER  13           HG       SER  13   1.812  -3.103  11.590
   90    H    ASP  14           H        ASP  14   2.605  -2.115   5.961
   91    HA   ASP  14           HA       ASP  14   5.598  -2.109   5.929
   92   1HB   ASP  14          2HB       ASP  14   4.136  -4.307   5.311
   93   2HB   ASP  14          1HB       ASP  14   4.142  -3.509   3.740
   94    H    CYS  15           H        CYS  15   3.271  -0.081   5.538
   95    HA   CYS  15           HA       CYS  15   4.297   1.054   2.969
   96   1HB   CYS  15          2HB       CYS  15   1.372   0.844   3.736
   97   2HB   CYS  15          1HB       CYS  15   2.027   1.412   2.202
   98    H    CYS  16           H        CYS  16   3.106   3.348   2.740
   99    HA   CYS  16           HA       CYS  16   3.831   4.896   5.132
  100   1HB   CYS  16          2HB       CYS  16   3.911   5.270   2.417
  101   2HB   CYS  16          1HB       CYS  16   2.464   6.183   2.843
  102    H    ALA  17           H        ALA  17   2.049   6.911   5.321
  103    HA   ALA  17           HA       ALA  17  -0.195   5.795   6.683
  104   1HB   ALA  17          1HB       ALA  17   0.958   8.021   7.052
  105   2HB   ALA  17          2HB       ALA  17  -0.802   8.116   6.998
  106   3HB   ALA  17          3HB       ALA  17   0.151   8.602   5.596
  107    H    HIS  18           H        HIS  18  -2.431   5.837   6.063
  108    HA   HIS  18           HA       HIS  18  -4.258   5.633   4.595
  109   1HB   HIS  18          2HB       HIS  18  -2.654   7.349   2.686
  110   2HB   HIS  18          1HB       HIS  18  -4.403   7.296   2.895
  111    HD1  HIS  18           1HD      HIS  18  -2.305   9.800   3.300
  112    HD2  HIS  18           2HD      HIS  18  -4.357   7.684   6.250
  113    HE1  HIS  18           1HE      HIS  18  -2.425  11.321   5.319
  114    H    LEU  19           H        LEU  19  -1.884   3.773   4.399
  115    HA   LEU  19           HA       LEU  19  -2.477   2.692   1.673
  116   1HB   LEU  19          2HB       LEU  19   0.132   3.355   3.011
  117   2HB   LEU  19          1HB       LEU  19   0.076   2.002   1.883
  118    HG   LEU  19           HG       LEU  19  -1.289   4.422   0.923
  119   1HD1  LEU  19          1HD1      LEU  19   0.345   5.890   1.446
  120   2HD1  LEU  19          2HD1      LEU  19   1.374   5.007   0.319
  121   3HD1  LEU  19          3HD1      LEU  19   1.401   4.606   2.035
  122   1HD2  LEU  19          1HD2      LEU  19   0.949   2.821  -0.334
  123   2HD2  LEU  19          2HD2      LEU  19  -0.292   3.771  -1.150
  124   3HD2  LEU  19          3HD2      LEU  19  -0.724   2.265  -0.338
  125    H    GLY  20           H        GLY  20  -3.178   0.593   1.856
  126   1HA   GLY  20          2HA       GLY  20  -2.382  -0.935   4.307
  127   2HA   GLY  20          1HA       GLY  20  -3.963  -1.098   3.542
  128    H    CYS  21           H        CYS  21  -1.144  -2.689   3.880
  129    HA   CYS  21           HA       CYS  21  -0.390  -3.513   1.249
  130   1HB   CYS  21          2HB       CYS  21   0.794  -3.863   3.479
  131   2HB   CYS  21          1HB       CYS  21  -0.348  -5.172   3.785
  132    H    LYS  22           H        LYS  22  -1.532  -4.723  -0.207
  133    HA   LYS  22           HA       LYS  22  -4.116  -5.883   0.490
  134   1HB   LYS  22          2HB       LYS  22  -2.360  -5.773  -1.970
  135   2HB   LYS  22          1HB       LYS  22  -3.901  -6.629  -1.968
  136   1HG   LYS  22          2HG       LYS  22  -3.536  -3.704  -1.248
  137   2HG   LYS  22          1HG       LYS  22  -4.143  -4.299  -2.793
  138   1HD   LYS  22          2HD       LYS  22  -6.208  -4.283  -1.894
  139   2HD   LYS  22          1HD       LYS  22  -5.693  -5.616  -0.860
  140   1HE   LYS  22          2HE       LYS  22  -4.761  -3.858   0.745
  141   2HE   LYS  22          1HE       LYS  22  -5.637  -2.653  -0.219
  142   1HZ   LYS  22          1HZ       LYS  22  -7.667  -3.933   0.083
  143   2HZ   LYS  22          2HZ       LYS  22  -7.018  -3.494   1.589
  144   3HZ   LYS  22          3HZ       LYS  22  -6.835  -5.080   1.014
  145    HA   PRO  23           HA       PRO  23  -2.311  -9.803   1.667
  146   1HB   PRO  23          2HB       PRO  23  -4.684 -11.089   2.143
  147   2HB   PRO  23          1HB       PRO  23  -3.948  -9.954   3.291
  148   1HG   PRO  23          2HG       PRO  23  -6.169  -9.516   1.357
  149   2HG   PRO  23          1HG       PRO  23  -5.978  -8.916   3.011
  150   1HD   PRO  23          2HD       PRO  23  -5.508  -7.389   0.809
  151   2HD   PRO  23          1HD       PRO  23  -4.676  -7.145   2.361
  152    H    THR  24           H        THR  24  -5.184  -9.688  -0.486
  153    HA   THR  24           HA       THR  24  -4.693 -12.192  -1.822
  154    HB   THR  24           HB       THR  24  -6.072  -9.683  -2.845
  155    HG1  THR  24           1HG      THR  24  -7.464 -10.025  -1.331
  156   1HG2  THR  24          1HG2      THR  24  -6.124 -12.595  -3.577
  157   2HG2  THR  24          2HG2      THR  24  -6.041 -11.184  -4.632
  158   3HG2  THR  24          3HG2      THR  24  -7.559 -11.605  -3.838
  159    H    LEU  25           H        LEU  25  -3.862  -8.810  -2.640
  160    HA   LEU  25           HA       LEU  25  -2.179  -9.708  -4.920
  161   1HB   LEU  25          2HB       LEU  25  -3.069  -7.027  -3.802
  162   2HB   LEU  25          1HB       LEU  25  -1.997  -7.178  -5.193
  163    HG   LEU  25           HG       LEU  25  -4.473  -8.803  -5.313
  164   1HD1  LEU  25          1HD1      LEU  25  -5.940  -6.981  -5.794
  165   2HD1  LEU  25          2HD1      LEU  25  -4.612  -5.820  -5.802
  166   3HD1  LEU  25          3HD1      LEU  25  -5.134  -6.553  -4.285
  167   1HD2  LEU  25          1HD2      LEU  25  -2.960  -8.769  -7.198
  168   2HD2  LEU  25          2HD2      LEU  25  -2.921  -7.006  -7.201
  169   3HD2  LEU  25          3HD2      LEU  25  -4.396  -7.855  -7.662
  170    H    LYS  26           H        LYS  26  -0.397  -7.265  -4.375
  171    HA   LYS  26           HA       LYS  26   1.008  -7.953  -1.881
  172   1HB   LYS  26          2HB       LYS  26   1.632  -9.142  -4.445
  173   2HB   LYS  26          1HB       LYS  26   2.997  -8.173  -3.890
  174   1HG   LYS  26          2HG       LYS  26   2.087  -9.538  -1.605
  175   2HG   LYS  26          1HG       LYS  26   2.056 -10.732  -2.902
  176   1HD   LYS  26          2HD       LYS  26   4.461  -9.048  -2.945
  177   2HD   LYS  26          1HD       LYS  26   4.303  -9.996  -1.466
  178   1HE   LYS  26          2HE       LYS  26   4.392 -12.041  -2.607
  179   2HE   LYS  26          1HE       LYS  26   3.848 -11.322  -4.136
  180   1HZ   LYS  26          1HZ       LYS  26   6.253 -11.745  -4.128
  181   2HZ   LYS  26          2HZ       LYS  26   6.431 -10.718  -2.788
  182   3HZ   LYS  26          3HZ       LYS  26   5.907 -10.092  -4.279
  183    H    TYR  27           H        TYR  27  -0.100  -5.523  -2.446
  184    HA   TYR  27           HA       TYR  27   2.277  -3.785  -2.633
  185   1HB   TYR  27          2HB       TYR  27   1.654  -2.675  -4.600
  186   2HB   TYR  27          1HB       TYR  27   1.201  -4.336  -4.966
  187    HD1  TYR  27           1HD      TYR  27  -1.240  -5.045  -4.502
  188    HD2  TYR  27           2HD      TYR  27   0.056  -0.953  -4.654
  189    HE1  TYR  27           1HE      TYR  27  -3.579  -4.317  -4.875
  190    HE2  TYR  27           2HE      TYR  27  -2.284  -0.225  -5.024
  191    HH   TYR  27           HH       TYR  27  -4.721  -1.464  -4.357
  192    H    CYS  28           H        CYS  28   1.687  -1.489  -2.084
  193    HA   CYS  28           HA       CYS  28  -0.274  -1.455   0.106
  194   1HB   CYS  28          2HB       CYS  28   1.467   0.745  -1.055
  195   2HB   CYS  28          1HB       CYS  28   0.718   0.731   0.542
  196    H    ALA  29           H        ALA  29  -2.389  -0.946  -0.245
  197    HA   ALA  29           HA       ALA  29  -3.158   0.488  -2.733
  198   1HB   ALA  29          1HB       ALA  29  -4.838  -0.805  -0.555
  199   2HB   ALA  29          2HB       ALA  29  -4.243  -1.652  -1.982
  200   3HB   ALA  29          3HB       ALA  29  -5.390  -0.326  -2.161
  201    H    TRP  30           H        TRP  30  -3.222   2.702  -2.560
  202    HA   TRP  30           HA       TRP  30  -3.295   4.127  -0.063
  203   1HB   TRP  30          2HB       TRP  30  -2.349   5.005  -2.167
  204   2HB   TRP  30          1HB       TRP  30  -3.953   4.994  -2.901
  205    HD1  TRP  30           HD       TRP  30  -5.780   6.709  -1.867
  206    HE1  TRP  30           1HE      TRP  30  -5.464   8.979  -0.691
  207    HE3  TRP  30           3HE      TRP  30  -0.831   6.388  -0.647
  208    HZ2  TRP  30           2HZ      TRP  30  -3.387  10.464   0.597
  209    HZ3  TRP  30           3HZ      TRP  30   0.290   8.243   0.554
  210    HH2  TRP  30           HH       TRP  30  -0.981  10.280   1.177
  211    H    ASP  31           H        ASP  31  -5.053   4.357   1.249
  212    HA   ASP  31           HA       ASP  31  -7.757   4.613  -0.001
  213   1HB   ASP  31          2HB       ASP  31  -6.735   2.691   2.078
  214   2HB   ASP  31          1HB       ASP  31  -8.435   3.162   2.086
  215    H    GLY  32           H        GLY  32  -6.385   6.845   0.788
  216   1HA   GLY  32          2HA       GLY  32  -7.285   7.488   3.553
  217   2HA   GLY  32          1HA       GLY  32  -6.147   8.446   2.600
  218    H    THR  33           H        THR  33  -7.142   9.366   0.507
  219    HA   THR  33           HA       THR  33  -9.686  10.700   1.214
  220    HB   THR  33           HB       THR  33  -8.022  11.069  -1.283
  221    HG1  THR  33           1HG      THR  33  -7.559  12.057   1.335
  222   1HG2  THR  33          1HG2      THR  33  -9.904  12.425  -1.440
  223   2HG2  THR  33          2HG2      THR  33  -8.771  13.510  -0.636
  224   3HG2  THR  33          3HG2      THR  33 -10.001  12.667   0.304
  225    H    PHE  34           H        PHE  34  -8.423   8.373  -1.131
  226    HA   PHE  34           HA       PHE  34 -11.221   7.775  -1.983
  227   1HB   PHE  34          2HB       PHE  34 -10.500   7.806  -4.329
  228   2HB   PHE  34          1HB       PHE  34 -10.143   9.360  -3.581
  229    HD1  PHE  34           1HD      PHE  34  -7.857  10.089  -3.214
  230    HD2  PHE  34           2HD      PHE  34  -8.682   6.174  -4.784
  231    HE1  PHE  34           1HE      PHE  34  -5.465   9.821  -3.811
  232    HE2  PHE  34           2HE      PHE  34  -6.290   5.908  -5.378
  233    HZ   PHE  34           HZ       PHE  34  -4.682   7.732  -4.891
  Start of MODEL   12
    1   1H    GLU   1          1HT       GLU   1  14.206   4.024   2.607
    2   2H    GLU   1          2HT       GLU   1  13.105   3.549   1.402
    3   3H    GLU   1          3HT       GLU   1  13.278   2.620   2.814
    4    HA   GLU   1           HA       GLU   1  12.479   4.599   4.114
    5   1HB   GLU   1          2HB       GLU   1  12.345   5.502   1.255
    6   2HB   GLU   1          1HB       GLU   1  11.144   6.120   2.388
    7   1HG   GLU   1          2HG       GLU   1  14.043   6.158   3.168
    8   2HG   GLU   1          1HG       GLU   1  13.428   7.399   2.076
    9    H    CYS   2           H        CYS   2   9.922   5.149   3.939
   10    HA   CYS   2           HA       CYS   2   8.531   2.636   4.032
   11   1HB   CYS   2          2HB       CYS   2   6.562   4.111   4.356
   12   2HB   CYS   2          1HB       CYS   2   7.933   4.646   5.327
   13    H    ARG   3           H        ARG   3   6.931   1.799   2.589
   14    HA   ARG   3           HA       ARG   3   7.465   2.235  -0.242
   15   1HB   ARG   3          2HB       ARG   3   6.081   0.367   1.514
   16   2HB   ARG   3          1HB       ARG   3   5.135   0.708   0.067
   17   1HG   ARG   3          2HG       ARG   3   6.445  -0.807  -0.974
   18   2HG   ARG   3          1HG       ARG   3   7.710   0.422  -0.922
   19   1HD   ARG   3          2HD       ARG   3   8.643  -0.480   1.090
   20   2HD   ARG   3          1HD       ARG   3   7.226  -1.514   1.362
   21    HE   ARG   3           HE       ARG   3   8.050  -2.318  -1.125
   22   1HH1  ARG   3          1HH1      ARG   3   8.476  -3.994   1.355
   23   2HH1  ARG   3          2HH1      ARG   3  10.187  -4.258   1.309
   24   1HH2  ARG   3          1HH2      ARG   3  10.783  -1.707  -0.975
   25   2HH2  ARG   3          2HH2      ARG   3  11.498  -2.959  -0.015
   26    H    LYS   4           H        LYS   4   5.980   3.036  -1.807
   27    HA   LYS   4           HA       LYS   4   3.849   4.843  -0.711
   28   1HB   LYS   4          2HB       LYS   4   6.023   5.096  -2.655
   29   2HB   LYS   4          1HB       LYS   4   4.474   5.615  -3.318
   30   1HG   LYS   4          2HG       LYS   4   4.414   6.715  -0.795
   31   2HG   LYS   4          1HG       LYS   4   6.120   6.855  -1.218
   32   1HD   LYS   4          2HD       LYS   4   5.702   8.501  -2.700
   33   2HD   LYS   4          1HD       LYS   4   4.416   7.570  -3.466
   34   1HE   LYS   4          2HE       LYS   4   3.965   8.930  -0.801
   35   2HE   LYS   4          1HE       LYS   4   3.730   9.798  -2.329
   36   1HZ   LYS   4          1HZ       LYS   4   2.242   8.064  -3.075
   37   2HZ   LYS   4          2HZ       LYS   4   1.691   8.674  -1.588
   38   3HZ   LYS   4          3HZ       LYS   4   2.491   7.178  -1.651
   39    H    MET   5           H        MET   5   2.399   5.329  -2.975
   40    HA   MET   5           HA       MET   5   0.571   3.233  -3.242
   41   1HB   MET   5          2HB       MET   5   1.196   5.746  -4.495
   42   2HB   MET   5          1HB       MET   5   0.739   4.587  -5.743
   43   1HG   MET   5          2HG       MET   5  -0.937   4.590  -3.293
   44   2HG   MET   5          1HG       MET   5  -1.075   6.010  -4.329
   45   1HE   MET   5          1HE       MET   5  -3.736   5.046  -6.474
   46   2HE   MET   5          2HE       MET   5  -2.797   6.216  -5.550
   47   3HE   MET   5          3HE       MET   5  -3.850   5.081  -4.710
   48    H    PHE   6           H        PHE   6   0.524   1.316  -4.345
   49    HA   PHE   6           HA       PHE   6   1.269  -0.514  -5.631
   50   1HB   PHE   6          2HB       PHE   6   2.246   1.804  -7.337
   51   2HB   PHE   6          1HB       PHE   6   2.033   0.148  -7.898
   52    HD1  PHE   6           1HD      PHE   6   0.596   3.099  -8.383
   53    HD2  PHE   6           2HD      PHE   6  -0.483  -0.683  -6.651
   54    HE1  PHE   6           1HE      PHE   6  -1.794   3.569  -8.842
   55    HE2  PHE   6           2HE      PHE   6  -2.873  -0.210  -7.110
   56    HZ   PHE   6           HZ       PHE   6  -3.529   1.915  -8.206
   57    H    GLY   7           H        GLY   7   3.022   0.166  -3.506
   58   1HA   GLY   7          2HA       GLY   7   5.766   0.277  -4.537
   59   2HA   GLY   7          1HA       GLY   7   5.297   0.125  -2.843
   60    H    GLY   8           H        GLY   8   4.748  -1.993  -2.030
   61   1HA   GLY   8          2HA       GLY   8   4.497  -4.418  -3.245
   62   2HA   GLY   8          1HA       GLY   8   6.233  -4.144  -3.375
   63    H    CYS   9           H        CYS   9   3.702  -5.166  -1.291
   64    HA   CYS   9           HA       CYS   9   5.634  -5.882   0.809
   65   1HB   CYS   9          2HB       CYS   9   4.412  -4.496   2.514
   66   2HB   CYS   9          1HB       CYS   9   5.246  -3.533   1.295
   67    H    SER  10           H        SER  10   4.354  -6.853   2.755
   68    HA   SER  10           HA       SER  10   1.931  -8.305   1.736
   69   1HB   SER  10          2HB       SER  10   2.799 -10.270   2.734
   70   2HB   SER  10          1HB       SER  10   4.216  -9.500   2.031
   71    HG   SER  10           HG       SER  10   3.476  -9.840   4.689
   72    H    VAL  11           H        VAL  11   3.578  -7.161   4.719
   73    HA   VAL  11           HA       VAL  11   1.139  -7.444   6.331
   74    HB   VAL  11           HB       VAL  11   2.574  -6.528   8.104
   75   1HG1  VAL  11          1HG1      VAL  11   4.443  -8.265   6.528
   76   2HG1  VAL  11          2HG1      VAL  11   2.886  -8.921   7.032
   77   3HG1  VAL  11          3HG1      VAL  11   4.028  -8.334   8.241
   78   1HG2  VAL  11          1HG2      VAL  11   5.042  -6.056   7.288
   79   2HG2  VAL  11          2HG2      VAL  11   3.823  -4.784   7.190
   80   3HG2  VAL  11          3HG2      VAL  11   4.252  -5.708   5.750
   81    H    ASP  12           H        ASP  12  -0.286  -5.788   6.878
   82    HA   ASP  12           HA       ASP  12  -0.723  -3.589   5.214
   83   1HB   ASP  12          2HB       ASP  12  -1.479  -4.315   8.024
   84   2HB   ASP  12          1HB       ASP  12  -2.005  -2.774   7.346
   85    H    SER  13           H        SER  13   1.272  -3.697   8.160
   86    HA   SER  13           HA       SER  13   1.748  -0.775   8.052
   87   1HB   SER  13          2HB       SER  13   2.975  -1.234  10.148
   88   2HB   SER  13          1HB       SER  13   1.386  -1.993  10.181
   89    HG   SER  13           HG       SER  13   2.501  -3.732  10.597
   90    H    ASP  14           H        ASP  14   2.701  -1.888   5.698
   91    HA   ASP  14           HA       ASP  14   5.679  -2.016   6.089
   92   1HB   ASP  14          2HB       ASP  14   4.137  -3.913   5.032
   93   2HB   ASP  14          1HB       ASP  14   4.276  -2.904   3.594
   94    H    CYS  15           H        CYS  15   3.117  -0.082   4.869
   95    HA   CYS  15           HA       CYS  15   4.931   1.324   2.944
   96   1HB   CYS  15          2HB       CYS  15   1.942   1.641   3.244
   97   2HB   CYS  15          1HB       CYS  15   2.935   1.968   1.825
   98    H    CYS  16           H        CYS  16   3.962   3.780   2.811
   99    HA   CYS  16           HA       CYS  16   4.634   5.004   5.398
  100   1HB   CYS  16          2HB       CYS  16   4.808   5.615   2.651
  101   2HB   CYS  16          1HB       CYS  16   3.667   6.785   3.315
  102    H    ALA  17           H        ALA  17   3.048   7.216   5.540
  103    HA   ALA  17           HA       ALA  17   0.648   6.310   6.751
  104   1HB   ALA  17          1HB       ALA  17   1.816   8.412   7.275
  105   2HB   ALA  17          2HB       ALA  17   0.141   8.737   6.830
  106   3HB   ALA  17          3HB       ALA  17   1.434   9.031   5.667
  107    H    HIS  18           H        HIS  18  -1.540   6.471   6.041
  108    HA   HIS  18           HA       HIS  18  -3.331   6.375   4.528
  109   1HB   HIS  18          2HB       HIS  18  -1.390   8.287   3.236
  110   2HB   HIS  18          1HB       HIS  18  -2.899   7.867   2.429
  111    HD1  HIS  18           1HD      HIS  18  -4.574   9.646   2.881
  112    HD2  HIS  18           2HD      HIS  18  -2.233   8.876   6.243
  113    HE1  HIS  18           1HE      HIS  18  -5.467  11.128   4.730
  114    H    LEU  19           H        LEU  19  -1.080   4.358   4.350
  115    HA   LEU  19           HA       LEU  19  -1.714   3.363   1.600
  116   1HB   LEU  19          2HB       LEU  19   0.929   3.832   2.950
  117   2HB   LEU  19          1HB       LEU  19   0.784   2.511   1.792
  118    HG   LEU  19           HG       LEU  19  -0.433   5.006   0.868
  119   1HD1  LEU  19          1HD1      LEU  19   1.790   5.526   2.278
  120   2HD1  LEU  19          2HD1      LEU  19   1.410   6.387   0.786
  121   3HD1  LEU  19          3HD1      LEU  19   2.547   5.039   0.760
  122   1HD2  LEU  19          1HD2      LEU  19   0.729   4.385  -1.184
  123   2HD2  LEU  19          2HD2      LEU  19  -0.029   2.949  -0.494
  124   3HD2  LEU  19          3HD2      LEU  19   1.706   3.208  -0.306
  125    H    GLY  20           H        GLY  20  -2.364   1.237   1.637
  126   1HA   GLY  20          2HA       GLY  20  -1.647  -0.417   4.028
  127   2HA   GLY  20          1HA       GLY  20  -3.283  -0.425   3.364
  128    H    CYS  21           H        CYS  21  -0.793  -2.400   3.500
  129    HA   CYS  21           HA       CYS  21  -0.155  -3.054   0.764
  130   1HB   CYS  21          2HB       CYS  21  -0.099  -4.620   3.365
  131   2HB   CYS  21          1HB       CYS  21   0.605  -5.208   1.859
  132    H    LYS  22           H        LYS  22  -1.320  -4.234  -0.710
  133    HA   LYS  22           HA       LYS  22  -4.055  -5.050  -0.086
  134   1HB   LYS  22          2HB       LYS  22  -2.253  -4.781  -2.422
  135   2HB   LYS  22          1HB       LYS  22  -3.505  -6.013  -2.583
  136   1HG   LYS  22          2HG       LYS  22  -4.090  -3.187  -1.675
  137   2HG   LYS  22          1HG       LYS  22  -4.165  -3.685  -3.365
  138   1HD   LYS  22          2HD       LYS  22  -5.765  -5.522  -2.641
  139   2HD   LYS  22          1HD       LYS  22  -5.827  -4.739  -1.062
  140   1HE   LYS  22          2HE       LYS  22  -6.292  -3.004  -3.457
  141   2HE   LYS  22          1HE       LYS  22  -7.591  -4.115  -2.980
  142   1HZ   LYS  22          1HZ       LYS  22  -7.500  -3.276  -0.745
  143   2HZ   LYS  22          2HZ       LYS  22  -7.693  -1.960  -1.801
  144   3HZ   LYS  22          3HZ       LYS  22  -6.175  -2.282  -1.113
  145    HA   PRO  23           HA       PRO  23  -2.831  -9.177   1.102
  146   1HB   PRO  23          2HB       PRO  23  -5.364 -10.152   1.466
  147   2HB   PRO  23          1HB       PRO  23  -4.548  -9.115   2.653
  148   1HG   PRO  23          2HG       PRO  23  -6.614  -8.411   0.632
  149   2HG   PRO  23          1HG       PRO  23  -6.411  -7.827   2.290
  150   1HD   PRO  23          2HD       PRO  23  -5.665  -6.402   0.086
  151   2HD   PRO  23          1HD       PRO  23  -4.900  -6.223   1.680
  152    H    THR  24           H        THR  24  -5.364  -8.486  -1.315
  153    HA   THR  24           HA       THR  24  -5.465 -11.042  -2.590
  154    HB   THR  24           HB       THR  24  -5.773  -8.301  -3.864
  155    HG1  THR  24           1HG      THR  24  -7.327  -8.029  -2.506
  156   1HG2  THR  24          1HG2      THR  24  -7.377 -10.796  -4.401
  157   2HG2  THR  24          2HG2      THR  24  -5.852 -10.491  -5.232
  158   3HG2  THR  24          3HG2      THR  24  -7.197  -9.365  -5.415
  159    H    LEU  25           H        LEU  25  -3.639  -8.104  -3.589
  160    HA   LEU  25           HA       LEU  25  -1.865  -9.840  -5.242
  161   1HB   LEU  25          2HB       LEU  25  -2.683  -6.945  -5.202
  162   2HB   LEU  25          1HB       LEU  25  -1.180  -7.400  -6.000
  163    HG   LEU  25           HG       LEU  25  -2.803  -7.490  -7.715
  164   1HD1  LEU  25          1HD1      LEU  25  -2.727  -9.731  -8.430
  165   2HD1  LEU  25          2HD1      LEU  25  -2.858 -10.356  -6.787
  166   3HD1  LEU  25          3HD1      LEU  25  -1.355  -9.607  -7.328
  167   1HD2  LEU  25          1HD2      LEU  25  -4.633  -9.268  -6.128
  168   2HD2  LEU  25          2HD2      LEU  25  -5.012  -8.214  -7.490
  169   3HD2  LEU  25          3HD2      LEU  25  -4.699  -7.521  -5.899
  170    H    LYS  26           H        LYS  26  -0.147  -7.040  -4.656
  171    HA   LYS  26           HA       LYS  26   0.900  -7.646  -1.997
  172   1HB   LYS  26          2HB       LYS  26   1.838  -9.076  -4.306
  173   2HB   LYS  26          1HB       LYS  26   3.144  -8.049  -3.721
  174   1HG   LYS  26          2HG       LYS  26   1.714  -9.369  -1.537
  175   2HG   LYS  26          1HG       LYS  26   2.424 -10.520  -2.670
  176   1HD   LYS  26          2HD       LYS  26   4.303  -8.391  -2.170
  177   2HD   LYS  26          1HD       LYS  26   3.756  -9.068  -0.635
  178   1HE   LYS  26          2HE       LYS  26   4.194 -11.247  -2.451
  179   2HE   LYS  26          1HE       LYS  26   5.633 -10.210  -2.459
  180   1HZ   LYS  26          1HZ       LYS  26   4.237 -11.127   0.002
  181   2HZ   LYS  26          2HZ       LYS  26   5.689 -10.246  -0.075
  182   3HZ   LYS  26          3HZ       LYS  26   5.636 -11.851  -0.627
  183    H    TYR  27           H        TYR  27   0.044  -5.189  -2.723
  184    HA   TYR  27           HA       TYR  27   2.548  -3.614  -2.790
  185   1HB   TYR  27          2HB       TYR  27   1.646  -2.207  -4.683
  186   2HB   TYR  27          1HB       TYR  27   2.064  -3.851  -5.150
  187    HD1  TYR  27           1HD      TYR  27  -0.843  -1.768  -4.015
  188    HD2  TYR  27           2HD      TYR  27   0.483  -5.204  -6.224
  189    HE1  TYR  27           1HE      TYR  27  -3.151  -2.124  -4.846
  190    HE2  TYR  27           2HE      TYR  27  -1.822  -5.561  -7.054
  191    HH   TYR  27           HH       TYR  27  -4.164  -4.981  -6.289
  192    H    CYS  28           H        CYS  28   2.123  -1.296  -2.250
  193    HA   CYS  28           HA       CYS  28   0.113  -1.059  -0.156
  194   1HB   CYS  28          2HB       CYS  28   1.826   1.069  -1.482
  195   2HB   CYS  28          1HB       CYS  28   1.071   1.172   0.108
  196    H    ALA  29           H        ALA  29  -1.795   0.159  -0.182
  197    HA   ALA  29           HA       ALA  29  -2.664   1.245  -2.843
  198   1HB   ALA  29          1HB       ALA  29  -3.610  -1.004  -1.760
  199   2HB   ALA  29          2HB       ALA  29  -4.685   0.115  -2.599
  200   3HB   ALA  29          3HB       ALA  29  -4.594   0.130  -0.837
  201    H    TRP  30           H        TRP  30  -2.608   3.453  -2.539
  202    HA   TRP  30           HA       TRP  30  -2.874   4.786  -0.021
  203   1HB   TRP  30          2HB       TRP  30  -1.788   5.662  -2.094
  204   2HB   TRP  30          1HB       TRP  30  -3.383   5.821  -2.828
  205    HD1  TRP  30           HD       TRP  30  -5.038   7.662  -1.796
  206    HE1  TRP  30           1HE      TRP  30  -4.572   9.798  -0.431
  207    HE3  TRP  30           3HE      TRP  30  -0.234   6.740  -0.344
  208    HZ2  TRP  30           2HZ      TRP  30  -2.433  10.964   1.076
  209    HZ3  TRP  30           3HZ      TRP  30   0.996   8.376   1.052
  210    HH2  TRP  30           HH       TRP  30  -0.096  10.485   1.762
  211    H    ASP  31           H        ASP  31  -4.690   5.221   1.149
  212    HA   ASP  31           HA       ASP  31  -7.337   5.211  -0.272
  213   1HB   ASP  31          2HB       ASP  31  -6.382   3.360   1.542
  214   2HB   ASP  31          1HB       ASP  31  -7.300   4.453   2.578
  215    H    GLY  32           H        GLY  32  -6.531   7.635  -0.282
  216   1HA   GLY  32          2HA       GLY  32  -7.346   8.950   2.282
  217   2HA   GLY  32          1HA       GLY  32  -6.227   9.668   1.122
  218    H    THR  33           H        THR  33  -9.205   7.985   0.235
  219    HA   THR  33           HA       THR  33 -10.409  10.600  -0.606
  220    HB   THR  33           HB       THR  33 -10.307   7.951  -2.090
  221    HG1  THR  33           1HG      THR  33  -8.442   8.796  -2.591
  222   1HG2  THR  33          1HG2      THR  33 -11.409  10.620  -3.004
  223   2HG2  THR  33          2HG2      THR  33 -12.407   9.285  -2.426
  224   3HG2  THR  33          3HG2      THR  33 -11.446   9.097  -3.893
  225    H    PHE  34           H        PHE  34 -11.043   7.150   0.040
  226    HA   PHE  34           HA       PHE  34 -13.706   7.920   1.184
  227   1HB   PHE  34          2HB       PHE  34 -14.539   5.778   0.107
  228   2HB   PHE  34          1HB       PHE  34 -14.066   7.032  -1.038
  229    HD1  PHE  34           1HD      PHE  34 -12.948   3.881   0.599
  230    HD2  PHE  34           2HD      PHE  34 -12.250   6.705  -2.563
  231    HE1  PHE  34           1HE      PHE  34 -11.305   2.332  -0.424
  232    HE2  PHE  34           2HE      PHE  34 -10.606   5.157  -3.585
  233    HZ   PHE  34           HZ       PHE  34 -10.132   2.971  -2.515
  Start of MODEL   13
    1   1H    GLU   1          1HT       GLU   1  13.929   4.222   3.326
    2   2H    GLU   1          2HT       GLU   1  12.988   3.660   2.027
    3   3H    GLU   1          3HT       GLU   1  12.953   2.849   3.518
    4    HA   GLU   1           HA       GLU   1  12.031   4.941   4.537
    5   1HB   GLU   1          2HB       GLU   1  12.498   5.643   1.702
    6   2HB   GLU   1          1HB       GLU   1  10.947   6.183   2.341
    7   1HG   GLU   1          2HG       GLU   1  12.696   6.801   4.394
    8   2HG   GLU   1          1HG       GLU   1  13.652   7.144   2.953
    9    H    CYS   2           H        CYS   2   9.523   5.487   3.977
   10    HA   CYS   2           HA       CYS   2   8.105   2.980   4.061
   11   1HB   CYS   2          2HB       CYS   2   6.141   4.450   4.130
   12   2HB   CYS   2          1HB       CYS   2   7.420   5.115   5.142
   13    H    ARG   3           H        ARG   3   6.302   2.426   2.502
   14    HA   ARG   3           HA       ARG   3   7.254   2.758  -0.308
   15   1HB   ARG   3          2HB       ARG   3   6.369   0.607   1.290
   16   2HB   ARG   3          1HB       ARG   3   5.083   0.882   0.115
   17   1HG   ARG   3          2HG       ARG   3   6.490  -0.550  -1.073
   18   2HG   ARG   3          1HG       ARG   3   7.073   1.028  -1.601
   19   1HD   ARG   3          2HD       ARG   3   9.083  -0.021  -1.003
   20   2HD   ARG   3          1HD       ARG   3   8.663   0.786   0.520
   21    HE   ARG   3           HE       ARG   3   7.401  -1.489   0.977
   22   1HH1  ARG   3          1HH1      ARG   3   8.847  -2.553  -1.560
   23   2HH1  ARG   3          2HH1      ARG   3  10.133  -3.453  -0.824
   24   1HH2  ARG   3          1HH2      ARG   3   9.712  -2.000   2.306
   25   2HH2  ARG   3          2HH2      ARG   3  10.623  -3.139   1.371
   26    H    LYS   4           H        LYS   4   5.852   3.519  -1.932
   27    HA   LYS   4           HA       LYS   4   3.396   4.931  -0.967
   28   1HB   LYS   4          2HB       LYS   4   5.394   5.291  -3.193
   29   2HB   LYS   4          1HB       LYS   4   3.806   6.049  -3.307
   30   1HG   LYS   4          2HG       LYS   4   4.367   7.642  -1.812
   31   2HG   LYS   4          1HG       LYS   4   4.969   6.442  -0.670
   32   1HD   LYS   4          2HD       LYS   4   6.609   7.098  -3.098
   33   2HD   LYS   4          1HD       LYS   4   6.628   8.200  -1.721
   34   1HE   LYS   4          2HE       LYS   4   7.269   6.310  -0.230
   35   2HE   LYS   4          1HE       LYS   4   7.314   5.238  -1.643
   36   1HZ   LYS   4          1HZ       LYS   4   9.503   6.069  -1.350
   37   2HZ   LYS   4          2HZ       LYS   4   8.956   7.665  -1.162
   38   3HZ   LYS   4          3HZ       LYS   4   8.853   6.901  -2.677
   39    H    MET   5           H        MET   5   1.994   5.214  -3.292
   40    HA   MET   5           HA       MET   5   0.474   2.874  -3.591
   41   1HB   MET   5          2HB       MET   5   0.798   5.468  -4.863
   42   2HB   MET   5          1HB       MET   5   0.370   4.238  -6.051
   43   1HG   MET   5          2HG       MET   5  -1.113   4.479  -3.433
   44   2HG   MET   5          1HG       MET   5  -1.572   5.431  -4.845
   45   1HE   MET   5          1HE       MET   5  -4.332   3.215  -4.693
   46   2HE   MET   5          2HE       MET   5  -3.955   3.967  -6.240
   47   3HE   MET   5          3HE       MET   5  -3.592   4.822  -4.743
   48    H    PHE   6           H        PHE   6   0.768   0.974  -4.671
   49    HA   PHE   6           HA       PHE   6   1.763  -0.691  -6.005
   50   1HB   PHE   6          2HB       PHE   6   2.475   1.730  -7.699
   51   2HB   PHE   6          1HB       PHE   6   2.352   0.065  -8.261
   52    HD1  PHE   6           1HD      PHE   6   0.706   2.986  -8.553
   53    HD2  PHE   6           2HD      PHE   6  -0.059  -0.989  -7.107
   54    HE1  PHE   6           1HE      PHE   6  -1.719   3.304  -8.958
   55    HE2  PHE   6           2HE      PHE   6  -2.484  -0.668  -7.512
   56    HZ   PHE   6           HZ       PHE   6  -3.314   1.478  -8.438
   57    H    GLY   7           H        GLY   7   3.357  -0.297  -3.922
   58   1HA   GLY   7          2HA       GLY   7   6.104   0.204  -4.996
   59   2HA   GLY   7          1HA       GLY   7   5.656   0.376  -3.299
   60    H    GLY   8           H        GLY   8   4.370  -1.897  -2.659
   61   1HA   GLY   8          2HA       GLY   8   4.625  -4.386  -3.146
   62   2HA   GLY   8          1HA       GLY   8   6.350  -4.052  -3.295
   63    H    CYS   9           H        CYS   9   4.022  -5.133  -1.168
   64    HA   CYS   9           HA       CYS   9   5.874  -4.821   1.130
   65   1HB   CYS   9          2HB       CYS   9   3.928  -3.902   2.485
   66   2HB   CYS   9          1HB       CYS   9   4.548  -2.808   1.250
   67    H    SER  10           H        SER  10   4.422  -5.803   3.158
   68    HA   SER  10           HA       SER  10   3.141  -8.331   2.175
   69   1HB   SER  10          2HB       SER  10   5.399  -7.857   4.111
   70   2HB   SER  10          1HB       SER  10   4.387  -9.290   4.277
   71    HG   SER  10           HG       SER  10   6.022  -9.852   2.915
   72    H    VAL  11           H        VAL  11   3.733  -6.357   5.124
   73    HA   VAL  11           HA       VAL  11   1.081  -7.203   6.198
   74    HB   VAL  11           HB       VAL  11   3.196  -5.488   7.521
   75   1HG1  VAL  11          1HG1      VAL  11   1.515  -5.476   9.049
   76   2HG1  VAL  11          2HG1      VAL  11   2.074  -7.105   9.424
   77   3HG1  VAL  11          3HG1      VAL  11   0.715  -6.870   8.325
   78   1HG2  VAL  11          1HG2      VAL  11   3.887  -7.774   8.555
   79   2HG2  VAL  11          2HG2      VAL  11   4.463  -7.399   6.932
   80   3HG2  VAL  11          3HG2      VAL  11   3.090  -8.484   7.151
   81    H    ASP  12           H        ASP  12  -0.344  -5.487   7.072
   82    HA   ASP  12           HA       ASP  12  -0.837  -3.363   5.249
   83   1HB   ASP  12          2HB       ASP  12  -1.766  -4.104   8.018
   84   2HB   ASP  12          1HB       ASP  12  -2.340  -2.624   7.249
   85    H    SER  13           H        SER  13   0.980  -3.494   8.277
   86    HA   SER  13           HA       SER  13   1.418  -0.564   8.311
   87   1HB   SER  13          2HB       SER  13   2.607  -1.152  10.428
   88   2HB   SER  13          1HB       SER  13   0.977  -1.814  10.380
   89    HG   SER  13           HG       SER  13   3.458  -3.100  10.125
   90    H    ASP  14           H        ASP  14   2.477  -1.843   5.969
   91    HA   ASP  14           HA       ASP  14   5.435  -1.728   6.480
   92   1HB   ASP  14          2HB       ASP  14   3.930  -3.833   5.600
   93   2HB   ASP  14          1HB       ASP  14   4.395  -3.093   4.069
   94    H    CYS  15           H        CYS  15   3.039   0.176   5.293
   95    HA   CYS  15           HA       CYS  15   4.724   1.213   3.031
   96   1HB   CYS  15          2HB       CYS  15   1.710   1.330   3.359
   97   2HB   CYS  15          1HB       CYS  15   2.634   1.775   1.925
   98    H    CYS  16           H        CYS  16   3.738   3.631   2.584
   99    HA   CYS  16           HA       CYS  16   4.426   5.186   4.965
  100   1HB   CYS  16          2HB       CYS  16   4.528   5.488   2.207
  101   2HB   CYS  16          1HB       CYS  16   3.219   6.576   2.670
  102    H    ALA  17           H        ALA  17   2.761   7.310   5.055
  103    HA   ALA  17           HA       ALA  17   0.438   6.365   6.407
  104   1HB   ALA  17          1HB       ALA  17  -0.152   8.822   6.336
  105   2HB   ALA  17          2HB       ALA  17   1.242   9.058   5.282
  106   3HB   ALA  17          3HB       ALA  17   1.474   8.486   6.933
  107    H    HIS  18           H        HIS  18  -1.776   6.487   5.773
  108    HA   HIS  18           HA       HIS  18  -3.615   6.358   4.311
  109   1HB   HIS  18          2HB       HIS  18  -1.936   7.863   2.301
  110   2HB   HIS  18          1HB       HIS  18  -3.669   7.981   2.589
  111    HD1  HIS  18           1HD      HIS  18  -1.086  10.147   2.884
  112    HD2  HIS  18           2HD      HIS  18  -3.657   8.661   5.809
  113    HE1  HIS  18           1HE      HIS  18  -1.018  11.797   4.804
  114    H    LEU  19           H        LEU  19  -1.213   4.412   4.109
  115    HA   LEU  19           HA       LEU  19  -1.921   3.290   1.417
  116   1HB   LEU  19          2HB       LEU  19   0.698   3.712   2.833
  117   2HB   LEU  19          1HB       LEU  19   0.542   2.358   1.713
  118    HG   LEU  19           HG       LEU  19  -0.594   4.795   0.612
  119   1HD1  LEU  19          1HD1      LEU  19   1.350   5.603   2.156
  120   2HD1  LEU  19          2HD1      LEU  19   1.295   6.183   0.492
  121   3HD1  LEU  19          3HD1      LEU  19   2.397   4.880   0.936
  122   1HD2  LEU  19          1HD2      LEU  19   0.689   4.131  -1.314
  123   2HD2  LEU  19          2HD2      LEU  19   0.061   2.658  -0.575
  124   3HD2  LEU  19          3HD2      LEU  19   1.746   3.120  -0.328
  125    H    GLY  20           H        GLY  20  -2.684   1.207   1.520
  126   1HA   GLY  20          2HA       GLY  20  -2.159  -0.349   4.024
  127   2HA   GLY  20          1HA       GLY  20  -3.732  -0.363   3.227
  128    H    CYS  21           H        CYS  21  -0.977  -2.136   3.564
  129    HA   CYS  21           HA       CYS  21  -0.338  -3.025   0.926
  130   1HB   CYS  21          2HB       CYS  21   0.781  -3.396   3.255
  131   2HB   CYS  21          1HB       CYS  21  -0.300  -4.784   3.376
  132    H    LYS  22           H        LYS  22  -1.475  -4.306  -0.474
  133    HA   LYS  22           HA       LYS  22  -4.154  -5.211   0.123
  134   1HB   LYS  22          2HB       LYS  22  -2.196  -5.275  -2.111
  135   2HB   LYS  22          1HB       LYS  22  -3.438  -6.526  -2.152
  136   1HG   LYS  22          2HG       LYS  22  -4.209  -3.669  -1.619
  137   2HG   LYS  22          1HG       LYS  22  -3.935  -4.215  -3.273
  138   1HD   LYS  22          2HD       LYS  22  -5.822  -5.491  -3.308
  139   2HD   LYS  22          1HD       LYS  22  -5.620  -6.009  -1.634
  140   1HE   LYS  22          2HE       LYS  22  -7.482  -4.631  -1.397
  141   2HE   LYS  22          1HE       LYS  22  -6.201  -3.426  -1.169
  142   1HZ   LYS  22          1HZ       LYS  22  -6.226  -3.075  -3.604
  143   2HZ   LYS  22          2HZ       LYS  22  -7.692  -2.643  -2.861
  144   3HZ   LYS  22          3HZ       LYS  22  -7.570  -4.103  -3.721
  145    HA   PRO  23           HA       PRO  23  -2.903  -9.016   2.104
  146   1HB   PRO  23          2HB       PRO  23  -5.426 -10.045   2.407
  147   2HB   PRO  23          1HB       PRO  23  -4.755  -8.788   3.466
  148   1HG   PRO  23          2HG       PRO  23  -6.634  -8.524   1.171
  149   2HG   PRO  23          1HG       PRO  23  -6.628  -7.679   2.728
  150   1HD   PRO  23          2HD       PRO  23  -5.718  -6.554   0.428
  151   2HD   PRO  23          1HD       PRO  23  -5.082  -6.132   2.035
  152    H    THR  24           H        THR  24  -5.353  -9.024  -0.519
  153    HA   THR  24           HA       THR  24  -4.847 -11.779  -1.304
  154    HB   THR  24           HB       THR  24  -6.184 -10.989  -3.333
  155    HG1  THR  24           1HG      THR  24  -6.785  -8.654  -1.965
  156   1HG2  THR  24          1HG2      THR  24  -7.197 -10.558  -0.516
  157   2HG2  THR  24          2HG2      THR  24  -7.386 -11.990  -1.528
  158   3HG2  THR  24          3HG2      THR  24  -8.254 -10.507  -1.927
  159    H    LEU  25           H        LEU  25  -3.684  -8.593  -2.386
  160    HA   LEU  25           HA       LEU  25  -1.939  -9.888  -4.429
  161   1HB   LEU  25          2HB       LEU  25  -2.744  -7.022  -3.823
  162   2HB   LEU  25          1HB       LEU  25  -1.650  -7.477  -5.128
  163    HG   LEU  25           HG       LEU  25  -4.075  -9.087  -5.177
  164   1HD1  LEU  25          1HD1      LEU  25  -4.626  -6.579  -4.255
  165   2HD1  LEU  25          2HD1      LEU  25  -5.737  -7.529  -5.240
  166   3HD1  LEU  25          3HD1      LEU  25  -4.707  -6.314  -5.996
  167   1HD2  LEU  25          1HD2      LEU  25  -3.904  -8.707  -7.476
  168   2HD2  LEU  25          2HD2      LEU  25  -2.230  -8.496  -6.963
  169   3HD2  LEU  25          3HD2      LEU  25  -3.246  -7.085  -7.261
  170    H    LYS  26           H        LYS  26  -0.099  -7.436  -4.144
  171    HA   LYS  26           HA       LYS  26   1.131  -7.829  -1.492
  172   1HB   LYS  26          2HB       LYS  26   3.290  -8.578  -2.639
  173   2HB   LYS  26          1HB       LYS  26   1.980  -9.756  -2.621
  174   1HG   LYS  26          2HG       LYS  26   2.003  -9.839  -4.870
  175   2HG   LYS  26          1HG       LYS  26   1.681  -8.107  -4.952
  176   1HD   LYS  26          2HD       LYS  26   4.196  -7.803  -4.476
  177   2HD   LYS  26          1HD       LYS  26   4.349  -9.513  -4.885
  178   1HE   LYS  26          2HE       LYS  26   4.418  -8.908  -7.071
  179   2HE   LYS  26          1HE       LYS  26   2.735  -8.367  -6.918
  180   1HZ   LYS  26          1HZ       LYS  26   5.170  -6.776  -6.306
  181   2HZ   LYS  26          2HZ       LYS  26   3.584  -6.265  -5.975
  182   3HZ   LYS  26          3HZ       LYS  26   4.084  -6.509  -7.581
  183    H    TYR  27           H        TYR  27   0.155  -5.439  -2.394
  184    HA   TYR  27           HA       TYR  27   2.630  -3.827  -2.658
  185   1HB   TYR  27          2HB       TYR  27   1.764  -2.622  -4.619
  186   2HB   TYR  27          1HB       TYR  27   1.875  -4.343  -4.972
  187    HD1  TYR  27           1HD      TYR  27  -0.470  -1.603  -4.060
  188    HD2  TYR  27           2HD      TYR  27  -0.069  -5.641  -5.468
  189    HE1  TYR  27           1HE      TYR  27  -2.881  -1.643  -4.632
  190    HE2  TYR  27           2HE      TYR  27  -2.481  -5.680  -6.039
  191    HH   TYR  27           HH       TYR  27  -4.319  -3.077  -6.422
  192    H    CYS  28           H        CYS  28   2.157  -1.472  -2.237
  193    HA   CYS  28           HA       CYS  28   0.176  -1.206  -0.091
  194   1HB   CYS  28          2HB       CYS  28   1.961   0.863  -1.422
  195   2HB   CYS  28          1HB       CYS  28   1.173   1.021   0.147
  196    H    ALA  29           H        ALA  29  -1.899  -0.563  -0.401
  197    HA   ALA  29           HA       ALA  29  -2.603   0.826  -2.964
  198   1HB   ALA  29          1HB       ALA  29  -4.218  -0.912  -1.065
  199   2HB   ALA  29          2HB       ALA  29  -3.579  -1.408  -2.632
  200   3HB   ALA  29          3HB       ALA  29  -4.845  -0.183  -2.543
  201    H    TRP  30           H        TRP  30  -2.905   2.991  -2.607
  202    HA   TRP  30           HA       TRP  30  -3.186   4.265  -0.097
  203   1HB   TRP  30          2HB       TRP  30  -2.612   5.169  -2.454
  204   2HB   TRP  30          1HB       TRP  30  -4.356   5.298  -2.684
  205    HD1  TRP  30           HD       TRP  30  -5.625   6.651  -0.516
  206    HE1  TRP  30           1HE      TRP  30  -4.866   8.861   0.570
  207    HE3  TRP  30           3HE      TRP  30  -0.729   6.706  -1.964
  208    HZ2  TRP  30           2HZ      TRP  30  -2.494  10.444   0.793
  209    HZ3  TRP  30           3HZ      TRP  30   0.756   8.575  -1.302
  210    HH2  TRP  30           HH       TRP  30  -0.120  10.443   0.073
  211    H    ASP  31           H        ASP  31  -4.889   4.360   1.292
  212    HA   ASP  31           HA       ASP  31  -7.665   4.050   0.212
  213   1HB   ASP  31          2HB       ASP  31  -6.130   2.224   1.788
  214   2HB   ASP  31          1HB       ASP  31  -7.409   2.864   2.818
  215    H    GLY  32           H        GLY  32  -7.548   6.473   0.477
  216   1HA   GLY  32          2HA       GLY  32  -7.525   7.425   3.288
  217   2HA   GLY  32          1HA       GLY  32  -7.508   8.451   1.854
  218    H    THR  33           H        THR  33  -9.569   8.368   0.507
  219    HA   THR  33           HA       THR  33 -11.934   8.278   2.341
  220    HB   THR  33           HB       THR  33 -12.845   9.831   0.466
  221    HG1  THR  33           1HG      THR  33 -11.413  10.588  -0.944
  222   1HG2  THR  33          1HG2      THR  33 -10.599  10.523   2.356
  223   2HG2  THR  33          2HG2      THR  33 -12.326  10.820   2.550
  224   3HG2  THR  33          3HG2      THR  33 -11.398  11.756   1.380
  225    H    PHE  34           H        PHE  34 -12.029   8.337  -1.194
  226    HA   PHE  34           HA       PHE  34 -13.146   6.930  -2.717
  227   1HB   PHE  34          2HB       PHE  34 -11.623   5.105  -0.850
  228   2HB   PHE  34          1HB       PHE  34 -12.511   4.458  -2.229
  229    HD1  PHE  34           1HD      PHE  34  -9.379   5.606  -1.198
  230    HD2  PHE  34           2HD      PHE  34 -12.117   5.895  -4.497
  231    HE1  PHE  34           1HE      PHE  34  -7.506   6.233  -2.699
  232    HE2  PHE  34           2HE      PHE  34 -10.244   6.522  -5.996
  233    HZ   PHE  34           HZ       PHE  34  -7.939   6.692  -5.098
  Start of MODEL   14
    1   1H    GLU   1          1HT       GLU   1  11.993   5.926   4.729
    2   2H    GLU   1          2HT       GLU   1  13.324   6.346   3.761
    3   3H    GLU   1          3HT       GLU   1  12.877   4.716   3.935
    4    HA   GLU   1           HA       GLU   1  11.267   6.827   2.583
    5   1HB   GLU   1          2HB       GLU   1  13.535   5.482   1.757
    6   2HB   GLU   1          1HB       GLU   1  12.244   4.454   1.133
    7   1HG   GLU   1          2HG       GLU   1  11.184   6.678   0.294
    8   2HG   GLU   1          1HG       GLU   1  12.795   7.356   0.533
    9    H    CYS   2           H        CYS   2   9.182   6.331   3.221
   10    HA   CYS   2           HA       CYS   2   8.315   3.606   3.824
   11   1HB   CYS   2          2HB       CYS   2   6.134   4.726   4.141
   12   2HB   CYS   2          1HB       CYS   2   7.421   5.632   4.935
   13    H    ARG   3           H        ARG   3   6.878   2.326   2.562
   14    HA   ARG   3           HA       ARG   3   7.158   2.574  -0.327
   15   1HB   ARG   3          2HB       ARG   3   6.827   0.538   1.397
   16   2HB   ARG   3          1HB       ARG   3   5.139   0.781   0.951
   17   1HG   ARG   3          2HG       ARG   3   5.481   0.149  -1.240
   18   2HG   ARG   3          1HG       ARG   3   7.149   0.721  -1.254
   19   1HD   ARG   3          2HD       ARG   3   6.783  -1.457   0.662
   20   2HD   ARG   3          1HD       ARG   3   6.353  -1.942  -0.989
   21    HE   ARG   3           HE       ARG   3   8.911  -0.476  -0.524
   22   1HH1  ARG   3          1HH2      ARG   3   7.904  -1.769  -3.151
   23   2HH1  ARG   3          2HH2      ARG   3   8.905  -3.181  -3.208
   24   1HH2  ARG   3          1HH1      ARG   3   9.880  -2.947   0.118
   25   2HH2  ARG   3          2HH1      ARG   3  10.026  -3.848  -1.353
   26    H    LYS   4           H        LYS   4   5.489   3.094  -1.832
   27    HA   LYS   4           HA       LYS   4   3.039   4.368  -0.649
   28   1HB   LYS   4          2HB       LYS   4   5.138   5.299  -2.494
   29   2HB   LYS   4          1HB       LYS   4   3.502   5.616  -3.071
   30   1HG   LYS   4          2HG       LYS   4   3.015   7.052  -1.339
   31   2HG   LYS   4          1HG       LYS   4   4.071   6.210  -0.205
   32   1HD   LYS   4          2HD       LYS   4   5.949   7.100  -1.896
   33   2HD   LYS   4          1HD       LYS   4   4.731   8.345  -2.183
   34   1HE   LYS   4          2HE       LYS   4   4.710   8.995   0.123
   35   2HE   LYS   4          1HE       LYS   4   5.625   7.554   0.607
   36   1HZ   LYS   4          1HZ       LYS   4   6.596   9.711  -1.197
   37   2HZ   LYS   4          2HZ       LYS   4   7.464   8.308  -0.787
   38   3HZ   LYS   4          3HZ       LYS   4   7.096   9.461   0.405
   39    H    MET   5           H        MET   5   1.554   4.810  -2.859
   40    HA   MET   5           HA       MET   5   0.227   2.450  -3.500
   41   1HB   MET   5          2HB       MET   5   0.393   5.183  -4.434
   42   2HB   MET   5          1HB       MET   5   0.141   4.099  -5.801
   43   1HG   MET   5          2HG       MET   5  -1.501   3.665  -3.336
   44   2HG   MET   5          1HG       MET   5  -1.918   5.017  -4.389
   45   1HE   MET   5          1HE       MET   5  -4.201   2.322  -4.234
   46   2HE   MET   5          2HE       MET   5  -4.617   3.164  -5.724
   47   3HE   MET   5          3HE       MET   5  -4.003   4.077  -4.348
   48    H    PHE   6           H        PHE   6   0.428   0.858  -5.104
   49    HA   PHE   6           HA       PHE   6   1.521  -0.548  -6.652
   50   1HB   PHE   6          2HB       PHE   6   2.727   2.092  -7.555
   51   2HB   PHE   6          1HB       PHE   6   2.546   0.637  -8.529
   52    HD1  PHE   6           1HD      PHE   6  -0.111  -0.320  -8.089
   53    HD2  PHE   6           2HD      PHE   6   1.260   3.749  -8.280
   54    HE1  PHE   6           1HE      PHE   6  -2.381   0.416  -8.761
   55    HE2  PHE   6           2HE      PHE   6  -1.010   4.482  -8.951
   56    HZ   PHE   6           HZ       PHE   6  -2.831   2.816  -9.193
   57    H    GLY   7           H        GLY   7   2.759  -0.351  -4.103
   58   1HA   GLY   7          2HA       GLY   7   5.674  -0.135  -4.681
   59   2HA   GLY   7          1HA       GLY   7   4.953  -0.183  -3.071
   60    H    GLY   8           H        GLY   8   4.605  -2.177  -2.096
   61   1HA   GLY   8          2HA       GLY   8   4.158  -4.677  -3.025
   62   2HA   GLY   8          1HA       GLY   8   5.871  -4.499  -3.406
   63    H    CYS   9           H        CYS   9   3.599  -5.181  -0.918
   64    HA   CYS   9           HA       CYS   9   5.793  -5.747   0.982
   65   1HB   CYS   9          2HB       CYS   9   4.639  -4.290   2.711
   66   2HB   CYS   9          1HB       CYS   9   5.386  -3.400   1.386
   67    H    SER  10           H        SER  10   4.536  -6.382   3.222
   68    HA   SER  10           HA       SER  10   2.225  -8.143   2.456
   69   1HB   SER  10          2HB       SER  10   3.248  -9.696   4.216
   70   2HB   SER  10          1HB       SER  10   4.168  -9.517   2.727
   71    HG   SER  10           HG       SER  10   5.368  -9.301   4.760
   72    H    VAL  11           H        VAL  11   3.888  -6.763   5.334
   73    HA   VAL  11           HA       VAL  11   1.379  -6.786   6.875
   74    HB   VAL  11           HB       VAL  11   2.862  -5.829   8.642
   75   1HG1  VAL  11          1HG1      VAL  11   2.744  -8.279   8.267
   76   2HG1  VAL  11          2HG1      VAL  11   4.330  -7.778   8.853
   77   3HG1  VAL  11          3HG1      VAL  11   4.102  -8.159   7.147
   78   1HG2  VAL  11          1HG2      VAL  11   5.117  -6.075   6.638
   79   2HG2  VAL  11          2HG2      VAL  11   5.156  -5.330   8.234
   80   3HG2  VAL  11          3HG2      VAL  11   4.281  -4.548   6.919
   81    H    ASP  12           H        ASP  12   0.143  -4.952   7.390
   82    HA   ASP  12           HA       ASP  12  -0.005  -2.792   5.591
   83   1HB   ASP  12          2HB       ASP  12  -1.538  -3.812   7.547
   84   2HB   ASP  12          1HB       ASP  12  -0.902  -2.409   8.406
   85    H    SER  13           H        SER  13   2.207  -3.221   8.240
   86    HA   SER  13           HA       SER  13   2.742  -0.331   8.571
   87   1HB   SER  13          2HB       SER  13   3.442  -2.913   9.866
   88   2HB   SER  13          1HB       SER  13   4.639  -1.630  10.009
   89    HG   SER  13           HG       SER  13   1.986  -1.738  10.922
   90    H    ASP  14           H        ASP  14   3.337  -1.741   5.925
   91    HA   ASP  14           HA       ASP  14   6.307  -1.325   5.841
   92   1HB   ASP  14          2HB       ASP  14   4.378  -3.210   4.634
   93   2HB   ASP  14          1HB       ASP  14   5.586  -2.593   3.511
   94    H    CYS  15           H        CYS  15   3.496   0.323   5.184
   95    HA   CYS  15           HA       CYS  15   4.717   1.754   2.842
   96   1HB   CYS  15          2HB       CYS  15   1.768   1.475   3.477
   97   2HB   CYS  15          1HB       CYS  15   2.499   1.987   1.959
   98    H    CYS  16           H        CYS  16   3.483   4.031   2.705
   99    HA   CYS  16           HA       CYS  16   4.067   5.443   5.208
  100   1HB   CYS  16          2HB       CYS  16   3.885   5.977   2.417
  101   2HB   CYS  16          1HB       CYS  16   2.708   7.022   3.212
  102    H    ALA  17           H        ALA  17   2.211   7.287   5.651
  103    HA   ALA  17           HA       ALA  17   0.007   5.964   6.848
  104   1HB   ALA  17          1HB       ALA  17  -0.836   8.290   7.131
  105   2HB   ALA  17          2HB       ALA  17   0.378   8.847   5.979
  106   3HB   ALA  17          3HB       ALA  17   0.878   8.159   7.525
  107    H    HIS  18           H        HIS  18  -2.234   5.941   6.226
  108    HA   HIS  18           HA       HIS  18  -4.074   5.837   4.760
  109   1HB   HIS  18          2HB       HIS  18  -2.426   7.455   2.808
  110   2HB   HIS  18          1HB       HIS  18  -4.174   7.453   3.019
  111    HD1  HIS  18           1HD      HIS  18  -1.761   9.785   3.460
  112    HD2  HIS  18           2HD      HIS  18  -4.347   8.077   6.243
  113    HE1  HIS  18           1HE      HIS  18  -1.908  11.412   5.392
  114    H    LEU  19           H        LEU  19  -1.270   4.240   4.315
  115    HA   LEU  19           HA       LEU  19  -2.179   2.992   1.737
  116   1HB   LEU  19          2HB       LEU  19   0.480   3.823   2.816
  117   2HB   LEU  19          1HB       LEU  19   0.430   2.363   1.829
  118    HG   LEU  19           HG       LEU  19  -1.048   4.742   0.824
  119   1HD1  LEU  19          1HD1      LEU  19   1.945   4.526   1.035
  120   2HD1  LEU  19          2HD1      LEU  19   0.914   5.917   1.365
  121   3HD1  LEU  19          3HD1      LEU  19   1.200   5.406  -0.299
  122   1HD2  LEU  19          1HD2      LEU  19  -0.684   3.755  -1.252
  123   2HD2  LEU  19          2HD2      LEU  19  -0.722   2.333  -0.210
  124   3HD2  LEU  19          3HD2      LEU  19   0.824   2.997  -0.739
  125    H    GLY  20           H        GLY  20  -2.707   0.855   1.907
  126   1HA   GLY  20          2HA       GLY  20  -1.665  -0.677   4.259
  127   2HA   GLY  20          1HA       GLY  20  -3.326  -0.851   3.690
  128    H    CYS  21           H        CYS  21  -0.620  -2.544   3.715
  129    HA   CYS  21           HA       CYS  21  -0.031  -3.227   1.002
  130   1HB   CYS  21          2HB       CYS  21   0.140  -4.768   3.609
  131   2HB   CYS  21          1HB       CYS  21   0.882  -5.306   2.101
  132    H    LYS  22           H        LYS  22  -1.469  -4.051  -0.438
  133    HA   LYS  22           HA       LYS  22  -4.021  -5.160   0.181
  134   1HB   LYS  22          2HB       LYS  22  -3.009  -4.162  -1.991
  135   2HB   LYS  22          1HB       LYS  22  -2.397  -5.788  -2.288
  136   1HG   LYS  22          2HG       LYS  22  -4.467  -5.816  -3.391
  137   2HG   LYS  22          1HG       LYS  22  -4.858  -6.537  -1.830
  138   1HD   LYS  22          2HD       LYS  22  -5.546  -4.266  -1.016
  139   2HD   LYS  22          1HD       LYS  22  -5.291  -3.649  -2.649
  140   1HE   LYS  22          2HE       LYS  22  -7.041  -6.065  -2.314
  141   2HE   LYS  22          1HE       LYS  22  -7.705  -4.473  -1.897
  142   1HZ   LYS  22          1HZ       LYS  22  -8.020  -4.960  -4.254
  143   2HZ   LYS  22          2HZ       LYS  22  -6.346  -5.160  -4.453
  144   3HZ   LYS  22          3HZ       LYS  22  -6.979  -3.638  -4.045
  145    HA   PRO  23           HA       PRO  23  -2.788  -9.249   1.397
  146   1HB   PRO  23          2HB       PRO  23  -5.278 -10.382   1.412
  147   2HB   PRO  23          1HB       PRO  23  -4.704  -9.288   2.686
  148   1HG   PRO  23          2HG       PRO  23  -6.524  -8.743   0.403
  149   2HG   PRO  23          1HG       PRO  23  -6.563  -8.113   2.057
  150   1HD   PRO  23          2HD       PRO  23  -5.621  -6.714  -0.108
  151   2HD   PRO  23          1HD       PRO  23  -5.133  -6.405   1.573
  152    H    THR  24           H        THR  24  -4.373  -8.442  -1.593
  153    HA   THR  24           HA       THR  24  -4.051 -11.205  -2.667
  154    HB   THR  24           HB       THR  24  -5.338  -8.702  -3.816
  155    HG1  THR  24           1HG      THR  24  -6.666 -10.972  -2.806
  156   1HG2  THR  24          1HG2      THR  24  -6.525 -10.824  -5.037
  157   2HG2  THR  24          2HG2      THR  24  -4.888 -11.445  -4.831
  158   3HG2  THR  24          3HG2      THR  24  -5.156  -9.944  -5.717
  159    H    LEU  25           H        LEU  25  -3.446  -7.881  -3.905
  160    HA   LEU  25           HA       LEU  25  -1.398  -8.821  -5.759
  161   1HB   LEU  25          2HB       LEU  25  -2.883  -6.380  -5.099
  162   2HB   LEU  25          1HB       LEU  25  -1.214  -6.059  -5.570
  163    HG   LEU  25           HG       LEU  25  -2.913  -7.949  -7.185
  164   1HD1  LEU  25          1HD1      LEU  25  -3.293  -5.868  -8.674
  165   2HD1  LEU  25          2HD1      LEU  25  -2.913  -4.929  -7.229
  166   3HD1  LEU  25          3HD1      LEU  25  -4.294  -6.027  -7.230
  167   1HD2  LEU  25          1HD2      LEU  25  -1.077  -6.192  -8.590
  168   2HD2  LEU  25          2HD2      LEU  25  -1.103  -7.955  -8.532
  169   3HD2  LEU  25          3HD2      LEU  25  -0.247  -7.044  -7.288
  170    H    LYS  26           H        LYS  26  -1.364  -7.779  -2.442
  171    HA   LYS  26           HA       LYS  26   0.400  -7.554  -0.907
  172   1HB   LYS  26          2HB       LYS  26   2.017  -8.693  -3.216
  173   2HB   LYS  26          1HB       LYS  26   2.503  -8.668  -1.523
  174   1HG   LYS  26          2HG       LYS  26   0.043  -9.866  -1.356
  175   2HG   LYS  26          1HG       LYS  26   0.623 -10.468  -2.909
  176   1HD   LYS  26          2HD       LYS  26   2.647 -11.323  -1.900
  177   2HD   LYS  26          1HD       LYS  26   2.255 -10.559  -0.359
  178   1HE   LYS  26          2HE       LYS  26   1.554 -12.786  -0.013
  179   2HE   LYS  26          1HE       LYS  26   0.048 -12.000  -0.526
  180   1HZ   LYS  26          1HZ       LYS  26   0.516 -14.027  -1.812
  181   2HZ   LYS  26          2HZ       LYS  26   1.976 -13.346  -2.351
  182   3HZ   LYS  26          3HZ       LYS  26   0.493 -12.646  -2.795
  183    H    TYR  27           H        TYR  27  -0.329  -5.240  -2.146
  184    HA   TYR  27           HA       TYR  27   2.268  -3.789  -2.359
  185   1HB   TYR  27          2HB       TYR  27   1.765  -2.897  -4.474
  186   2HB   TYR  27          1HB       TYR  27   1.158  -4.543  -4.620
  187    HD1  TYR  27           1HD      TYR  27   0.345  -1.078  -4.876
  188    HD2  TYR  27           2HD      TYR  27  -1.350  -4.926  -4.012
  189    HE1  TYR  27           1HE      TYR  27  -1.916  -0.190  -5.372
  190    HE2  TYR  27           2HE      TYR  27  -3.612  -4.042  -4.506
  191    HH   TYR  27           HH       TYR  27  -4.548  -1.241  -4.427
  192    H    CYS  28           H        CYS  28   2.051  -1.504  -1.793
  193    HA   CYS  28           HA       CYS  28   0.096  -0.959   0.245
  194   1HB   CYS  28          2HB       CYS  28   1.761   1.018  -1.342
  195   2HB   CYS  28          1HB       CYS  28   1.128   1.238   0.286
  196    H    ALA  29           H        ALA  29  -2.019  -0.483  -0.075
  197    HA   ALA  29           HA       ALA  29  -2.842   0.829  -2.642
  198   1HB   ALA  29          1HB       ALA  29  -3.855  -1.324  -2.371
  199   2HB   ALA  29          2HB       ALA  29  -5.102  -0.165  -1.909
  200   3HB   ALA  29          3HB       ALA  29  -4.194  -1.027  -0.666
  201    H    TRP  30           H        TRP  30  -3.286   2.981  -2.372
  202    HA   TRP  30           HA       TRP  30  -3.556   4.245   0.199
  203   1HB   TRP  30          2HB       TRP  30  -2.788   5.166  -2.094
  204   2HB   TRP  30          1HB       TRP  30  -4.507   5.344  -2.452
  205    HD1  TRP  30           HD       TRP  30  -5.934   6.871  -0.656
  206    HE1  TRP  30           1HE      TRP  30  -5.197   8.978   0.630
  207    HE3  TRP  30           3HE      TRP  30  -0.863   6.407  -1.041
  208    HZ2  TRP  30           2HZ      TRP  30  -2.777  10.292   1.394
  209    HZ3  TRP  30           3HZ      TRP  30   0.634   8.102  -0.024
  210    HH2  TRP  30           HH       TRP  30  -0.318  10.042   1.192
  211    H    ASP  31           H        ASP  31  -5.337   3.995   1.501
  212    HA   ASP  31           HA       ASP  31  -8.038   3.965   0.196
  213   1HB   ASP  31          2HB       ASP  31  -6.751   2.183   2.246
  214   2HB   ASP  31          1HB       ASP  31  -8.500   2.409   2.286
  215    H    GLY  32           H        GLY  32  -6.989   6.363   1.078
  216   1HA   GLY  32          2HA       GLY  32  -7.933   6.862   3.837
  217   2HA   GLY  32          1HA       GLY  32  -7.153   8.041   2.778
  218    H    THR  33           H        THR  33  -8.544   8.376   0.650
  219    HA   THR  33           HA       THR  33 -11.300   9.087   1.552
  220    HB   THR  33           HB       THR  33  -9.682   9.932  -0.877
  221    HG1  THR  33           1HG      THR  33  -8.628  10.975   0.610
  222   1HG2  THR  33          1HG2      THR  33 -11.862  10.492  -1.435
  223   2HG2  THR  33          2HG2      THR  33 -11.379  11.935  -0.543
  224   3HG2  THR  33          3HG2      THR  33 -12.349  10.693   0.248
  225    H    PHE  34           H        PHE  34  -9.732   6.627  -0.169
  226    HA   PHE  34           HA       PHE  34 -11.847   6.231  -2.199
  227   1HB   PHE  34          2HB       PHE  34  -9.393   4.610  -1.432
  228   2HB   PHE  34          1HB       PHE  34 -10.370   4.367  -2.878
  229    HD1  PHE  34           1HD      PHE  34  -7.758   6.352  -1.311
  230    HD2  PHE  34           2HD      PHE  34 -10.476   6.171  -4.633
  231    HE1  PHE  34           1HE      PHE  34  -6.426   8.076  -2.494
  232    HE2  PHE  34           2HE      PHE  34  -9.142   7.895  -5.817
  233    HZ   PHE  34           HZ       PHE  34  -7.118   8.848  -4.747
  Start of MODEL   15
    1   1H    GLU   1          1HT       GLU   1  14.104   5.626   3.592
    2   2H    GLU   1          2HT       GLU   1  13.378   4.811   2.290
    3   3H    GLU   1          3HT       GLU   1  13.222   4.206   3.871
    4    HA   GLU   1           HA       GLU   1  12.054   6.373   4.443
    5   1HB   GLU   1          2HB       GLU   1  13.091   7.207   2.161
    6   2HB   GLU   1          1HB       GLU   1  11.627   6.506   1.469
    7   1HG   GLU   1          2HG       GLU   1  10.213   7.948   2.714
    8   2HG   GLU   1          1HG       GLU   1  11.514   8.409   3.813
    9    H    CYS   2           H        CYS   2   9.604   6.451   4.005
   10    HA   CYS   2           HA       CYS   2   8.511   3.768   4.096
   11   1HB   CYS   2          2HB       CYS   2   6.397   4.981   4.373
   12   2HB   CYS   2          1HB       CYS   2   7.655   5.763   5.328
   13    H    ARG   3           H        ARG   3   7.034   2.813   2.565
   14    HA   ARG   3           HA       ARG   3   7.678   3.380  -0.240
   15   1HB   ARG   3          2HB       ARG   3   6.711   1.229   1.379
   16   2HB   ARG   3          1HB       ARG   3   5.537   1.513   0.096
   17   1HG   ARG   3          2HG       ARG   3   7.248   1.301  -1.605
   18   2HG   ARG   3          1HG       ARG   3   8.511   1.200  -0.379
   19   1HD   ARG   3          2HD       ARG   3   6.490  -0.794   0.172
   20   2HD   ARG   3          1HD       ARG   3   7.059  -0.962  -1.500
   21    HE   ARG   3           HE       ARG   3   9.428  -0.735  -0.383
   22   1HH1  ARG   3          1HH2      ARG   3   8.097  -3.490  -0.451
   23   2HH1  ARG   3          2HH2      ARG   3   8.340  -4.016   1.181
   24   1HH2  ARG   3          1HH1      ARG   3   9.120  -0.843   2.369
   25   2HH2  ARG   3          2HH1      ARG   3   8.921  -2.513   2.782
   26    H    LYS   4           H        LYS   4   5.765   3.482  -1.839
   27    HA   LYS   4           HA       LYS   4   3.596   5.256  -0.752
   28   1HB   LYS   4          2HB       LYS   4   5.637   5.618  -2.776
   29   2HB   LYS   4          1HB       LYS   4   4.035   5.776  -3.498
   30   1HG   LYS   4          2HG       LYS   4   4.236   7.928  -2.739
   31   2HG   LYS   4          1HG       LYS   4   3.638   7.207  -1.244
   32   1HD   LYS   4          2HD       LYS   4   6.400   6.738  -1.196
   33   2HD   LYS   4          1HD       LYS   4   6.238   8.386  -1.802
   34   1HE   LYS   4          2HE       LYS   4   4.662   7.484   0.616
   35   2HE   LYS   4          1HE       LYS   4   6.329   8.070   0.776
   36   1HZ   LYS   4          1HZ       LYS   4   4.089   9.508  -0.555
   37   2HZ   LYS   4          2HZ       LYS   4   5.698  10.053  -0.491
   38   3HZ   LYS   4          3HZ       LYS   4   4.786   9.915   0.937
   39    H    MET   5           H        MET   5   2.039   5.409  -3.031
   40    HA   MET   5           HA       MET   5   0.416   3.101  -2.962
   41   1HB   MET   5          2HB       MET   5   0.088   5.516  -3.918
   42   2HB   MET   5          1HB       MET   5   0.708   4.827  -5.417
   43   1HG   MET   5          2HG       MET   5  -1.060   3.170  -5.461
   44   2HG   MET   5          1HG       MET   5  -1.620   3.665  -3.865
   45   1HE   MET   5          1HE       MET   5  -3.565   3.285  -5.323
   46   2HE   MET   5          2HE       MET   5  -4.320   4.462  -6.394
   47   3HE   MET   5          3HE       MET   5  -4.379   4.705  -4.650
   48    H    PHE   6           H        PHE   6   0.191   1.320  -4.424
   49    HA   PHE   6           HA       PHE   6   0.947  -0.420  -5.820
   50   1HB   PHE   6          2HB       PHE   6   2.538   1.881  -7.013
   51   2HB   PHE   6          1HB       PHE   6   2.275   0.320  -7.785
   52    HD1  PHE   6           1HD      PHE   6  -0.277  -0.431  -7.943
   53    HD2  PHE   6           2HD      PHE   6   1.072   3.625  -7.503
   54    HE1  PHE   6           1HE      PHE   6  -2.429   0.387  -8.865
   55    HE2  PHE   6           2HE      PHE   6  -1.080   4.440  -8.422
   56    HZ   PHE   6           HZ       PHE   6  -2.831   2.823  -9.104
   57    H    GLY   7           H        GLY   7   2.510   0.437  -3.303
   58   1HA   GLY   7          2HA       GLY   7   5.279  -0.322  -3.964
   59   2HA   GLY   7          1HA       GLY   7   4.673   0.106  -2.362
   60    H    GLY   8           H        GLY   8   5.636  -2.473  -4.317
   61   1HA   GLY   8          2HA       GLY   8   3.938  -4.588  -3.451
   62   2HA   GLY   8          1HA       GLY   8   5.601  -4.795  -3.998
   63    H    CYS   9           H        CYS   9   3.690  -5.464  -1.464
   64    HA   CYS   9           HA       CYS   9   5.966  -5.715   0.401
   65   1HB   CYS   9          2HB       CYS   9   4.654  -4.430   2.156
   66   2HB   CYS   9          1HB       CYS   9   5.255  -3.442   0.825
   67    H    SER  10           H        SER  10   4.742  -6.456   2.683
   68    HA   SER  10           HA       SER  10   2.694  -8.508   1.907
   69   1HB   SER  10          2HB       SER  10   5.341  -8.710   3.275
   70   2HB   SER  10          1HB       SER  10   4.054  -9.762   3.860
   71    HG   SER  10           HG       SER  10   5.243  -9.610   1.308
   72    H    VAL  11           H        VAL  11   4.247  -7.069   4.825
   73    HA   VAL  11           HA       VAL  11   1.747  -7.365   6.357
   74    HB   VAL  11           HB       VAL  11   3.110  -6.510   8.199
   75   1HG1  VAL  11          1HG1      VAL  11   5.184  -8.136   6.862
   76   2HG1  VAL  11          2HG1      VAL  11   3.571  -8.849   6.858
   77   3HG1  VAL  11          3HG1      VAL  11   4.340  -8.414   8.385
   78   1HG2  VAL  11          1HG2      VAL  11   4.339  -4.717   7.242
   79   2HG2  VAL  11          2HG2      VAL  11   4.998  -5.740   5.966
   80   3HG2  VAL  11          3HG2      VAL  11   5.561  -5.930   7.626
   81    H    ASP  12           H        ASP  12   0.456  -5.615   7.091
   82    HA   ASP  12           HA       ASP  12  -0.010  -3.444   5.377
   83   1HB   ASP  12          2HB       ASP  12  -1.471  -4.437   7.192
   84   2HB   ASP  12          1HB       ASP  12  -0.517  -3.520   8.359
   85    H    SER  13           H        SER  13   2.284  -3.687   8.043
   86    HA   SER  13           HA       SER  13   2.825  -0.790   8.095
   87   1HB   SER  13          2HB       SER  13   3.900  -3.241   9.506
   88   2HB   SER  13          1HB       SER  13   4.574  -1.638   9.774
   89    HG   SER  13           HG       SER  13   2.113  -2.708  10.506
   90    H    ASP  14           H        ASP  14   3.336  -1.406   5.542
   91    HA   ASP  14           HA       ASP  14   6.328  -1.586   5.397
   92   1HB   ASP  14          2HB       ASP  14   4.351  -3.391   4.422
   93   2HB   ASP  14          1HB       ASP  14   5.079  -2.604   3.021
   94    H    CYS  15           H        CYS  15   3.850   0.510   5.002
   95    HA   CYS  15           HA       CYS  15   5.238   1.950   2.785
   96   1HB   CYS  15          2HB       CYS  15   2.387   1.017   2.963
   97   2HB   CYS  15          1HB       CYS  15   2.760   2.492   2.073
   98    H    CYS  16           H        CYS  16   4.189   4.271   2.651
   99    HA   CYS  16           HA       CYS  16   4.464   5.536   5.236
  100   1HB   CYS  16          2HB       CYS  16   4.416   6.227   2.494
  101   2HB   CYS  16          1HB       CYS  16   3.114   7.150   3.245
  102    H    ALA  17           H        ALA  17   2.493   7.355   5.570
  103    HA   ALA  17           HA       ALA  17   0.345   5.920   6.738
  104   1HB   ALA  17          1HB       ALA  17   1.314   8.568   6.572
  105   2HB   ALA  17          2HB       ALA  17   0.043   7.966   7.634
  106   3HB   ALA  17          3HB       ALA  17  -0.370   8.634   6.055
  107    H    HIS  18           H        HIS  18  -1.890   5.839   6.115
  108    HA   HIS  18           HA       HIS  18  -3.699   5.570   4.645
  109   1HB   HIS  18          2HB       HIS  18  -2.113   7.413   2.833
  110   2HB   HIS  18          1HB       HIS  18  -3.856   7.173   2.844
  111    HD1  HIS  18           1HD      HIS  18  -2.205   9.914   3.444
  112    HD2  HIS  18           2HD      HIS  18  -4.114   7.480   6.235
  113    HE1  HIS  18           1HE      HIS  18  -2.722  11.382   5.441
  114    H    LEU  19           H        LEU  19  -1.214   3.816   4.421
  115    HA   LEU  19           HA       LEU  19  -1.785   2.773   1.667
  116   1HB   LEU  19          2HB       LEU  19   0.803   3.377   3.075
  117   2HB   LEU  19          1HB       LEU  19   0.755   2.075   1.886
  118    HG   LEU  19           HG       LEU  19  -0.590   4.522   0.997
  119   1HD1  LEU  19          1HD1      LEU  19   1.402   5.847   0.657
  120   2HD1  LEU  19          2HD1      LEU  19   2.423   4.560   1.298
  121   3HD1  LEU  19          3HD1      LEU  19   1.326   5.431   2.370
  122   1HD2  LEU  19          1HD2      LEU  19  -0.109   2.583  -0.451
  123   2HD2  LEU  19          2HD2      LEU  19   1.618   2.805  -0.168
  124   3HD2  LEU  19          3HD2      LEU  19   0.701   4.033  -1.042
  125    H    GLY  20           H        GLY  20  -2.561   0.707   1.815
  126   1HA   GLY  20          2HA       GLY  20  -1.674  -0.964   4.139
  127   2HA   GLY  20          1HA       GLY  20  -3.331  -0.996   3.539
  128    H    CYS  21           H        CYS  21  -0.611  -2.776   3.513
  129    HA   CYS  21           HA       CYS  21  -0.233  -3.509   0.756
  130   1HB   CYS  21          2HB       CYS  21   0.239  -4.931   3.396
  131   2HB   CYS  21          1HB       CYS  21   0.825  -5.538   1.848
  132    H    LYS  22           H        LYS  22  -1.583  -4.676  -0.541
  133    HA   LYS  22           HA       LYS  22  -4.029  -5.890   0.545
  134   1HB   LYS  22          2HB       LYS  22  -2.791  -5.393  -2.158
  135   2HB   LYS  22          1HB       LYS  22  -4.209  -6.432  -2.013
  136   1HG   LYS  22          2HG       LYS  22  -4.365  -3.858  -0.551
  137   2HG   LYS  22          1HG       LYS  22  -4.355  -3.732  -2.311
  138   1HD   LYS  22          2HD       LYS  22  -6.093  -5.871  -1.723
  139   2HD   LYS  22          1HD       LYS  22  -6.492  -4.606  -0.560
  140   1HE   LYS  22          2HE       LYS  22  -6.521  -2.980  -2.547
  141   2HE   LYS  22          1HE       LYS  22  -6.509  -4.421  -3.583
  142   1HZ   LYS  22          1HZ       LYS  22  -8.451  -5.249  -2.489
  143   2HZ   LYS  22          2HZ       LYS  22  -8.778  -3.658  -2.985
  144   3HZ   LYS  22          3HZ       LYS  22  -8.429  -3.986  -1.356
  145    HA   PRO  23           HA       PRO  23  -2.246  -9.940   0.807
  146   1HB   PRO  23          2HB       PRO  23  -4.565 -11.358   1.111
  147   2HB   PRO  23          1HB       PRO  23  -3.847 -10.385   2.409
  148   1HG   PRO  23          2HG       PRO  23  -6.152  -9.777   0.646
  149   2HG   PRO  23          1HG       PRO  23  -5.881  -9.353   2.343
  150   1HD   PRO  23          2HD       PRO  23  -5.556  -7.627   0.213
  151   2HD   PRO  23          1HD       PRO  23  -4.803  -7.425   1.810
  152    H    THR  24           H        THR  24  -4.498  -8.949  -1.658
  153    HA   THR  24           HA       THR  24  -4.539 -11.455  -3.145
  154    HB   THR  24           HB       THR  24  -5.534  -9.897  -4.896
  155    HG1  THR  24           1HG      THR  24  -5.724  -7.922  -2.959
  156   1HG2  THR  24          1HG2      THR  24  -7.602  -9.618  -3.689
  157   2HG2  THR  24          2HG2      THR  24  -6.759  -9.647  -2.140
  158   3HG2  THR  24          3HG2      THR  24  -6.849 -11.108  -3.122
  159    H    LEU  25           H        LEU  25  -3.132  -8.254  -4.009
  160    HA   LEU  25           HA       LEU  25  -1.182  -9.672  -5.770
  161   1HB   LEU  25          2HB       LEU  25  -2.566  -7.048  -5.674
  162   2HB   LEU  25          1HB       LEU  25  -0.929  -7.031  -6.331
  163    HG   LEU  25           HG       LEU  25  -2.520  -9.280  -7.328
  164   1HD1  LEU  25          1HD1      LEU  25  -3.468  -6.439  -7.754
  165   2HD1  LEU  25          2HD1      LEU  25  -4.413  -7.828  -7.219
  166   3HD1  LEU  25          3HD1      LEU  25  -3.842  -7.741  -8.885
  167   1HD2  LEU  25          1HD2      LEU  25  -1.707  -8.231  -9.513
  168   2HD2  LEU  25          2HD2      LEU  25  -0.445  -8.720  -8.382
  169   3HD2  LEU  25          3HD2      LEU  25  -0.894  -7.020  -8.519
  170    H    LYS  26           H        LYS  26  -1.251  -8.407  -2.645
  171    HA   LYS  26           HA       LYS  26   0.452  -7.890  -1.113
  172   1HB   LYS  26          2HB       LYS  26   1.578  -9.588  -3.198
  173   2HB   LYS  26          1HB       LYS  26   2.803  -8.515  -2.524
  174   1HG   LYS  26          2HG       LYS  26   2.822 -10.465  -1.144
  175   2HG   LYS  26          1HG       LYS  26   1.970  -9.231  -0.217
  176   1HD   LYS  26          2HD       LYS  26   0.552 -11.076   0.014
  177   2HD   LYS  26          1HD       LYS  26  -0.171 -10.227  -1.351
  178   1HE   LYS  26          2HE       LYS  26   1.700 -11.825  -2.608
  179   2HE   LYS  26          1HE       LYS  26   1.137 -12.864  -1.284
  180   1HZ   LYS  26          1HZ       LYS  26  -1.145 -12.356  -1.893
  181   2HZ   LYS  26          2HZ       LYS  26  -0.323 -13.039  -3.214
  182   3HZ   LYS  26          3HZ       LYS  26  -0.615 -11.366  -3.164
  183    H    TYR  27           H        TYR  27  -0.513  -5.723  -2.417
  184    HA   TYR  27           HA       TYR  27   1.932  -4.040  -2.797
  185   1HB   TYR  27          2HB       TYR  27   1.087  -3.143  -4.828
  186   2HB   TYR  27          1HB       TYR  27   0.771  -4.870  -4.959
  187    HD1  TYR  27           1HD      TYR  27  -1.543  -5.750  -4.413
  188    HD2  TYR  27           2HD      TYR  27  -0.686  -1.560  -4.808
  189    HE1  TYR  27           1HE      TYR  27  -3.961  -5.283  -4.697
  190    HE2  TYR  27           2HE      TYR  27  -3.104  -1.092  -5.091
  191    HH   TYR  27           HH       TYR  27  -5.351  -2.469  -4.271
  192    H    CYS  28           H        CYS  28   1.647  -1.847  -2.069
  193    HA   CYS  28           HA       CYS  28  -0.362  -1.484  -0.001
  194   1HB   CYS  28          2HB       CYS  28   1.692   0.317  -1.309
  195   2HB   CYS  28          1HB       CYS  28   0.658   0.855   0.016
  196    H    ALA  29           H        ALA  29  -2.436  -0.889  -0.354
  197    HA   ALA  29           HA       ALA  29  -3.176   0.489  -2.891
  198   1HB   ALA  29          1HB       ALA  29  -5.512  -0.102  -1.918
  199   2HB   ALA  29          2HB       ALA  29  -4.622  -1.051  -0.728
  200   3HB   ALA  29          3HB       ALA  29  -4.490  -1.441  -2.443
  201    H    TRP  30           H        TRP  30  -2.643   2.680  -2.471
  202    HA   TRP  30           HA       TRP  30  -2.932   4.103  -0.051
  203   1HB   TRP  30          2HB       TRP  30  -1.736   4.945  -2.003
  204   2HB   TRP  30          1HB       TRP  30  -3.229   4.984  -2.941
  205    HD1  TRP  30           HD       TRP  30  -4.998   6.887  -2.387
  206    HE1  TRP  30           1HE      TRP  30  -4.788   9.133  -1.138
  207    HE3  TRP  30           3HE      TRP  30  -0.516   6.176  -0.048
  208    HZ2  TRP  30           2HZ      TRP  30  -2.955  10.453   0.621
  209    HZ3  TRP  30           3HZ      TRP  30   0.439   7.940   1.405
  210    HH2  TRP  30           HH       TRP  30  -0.774  10.076   1.742
  211    H    ASP  31           H        ASP  31  -4.740   4.587   1.115
  212    HA   ASP  31           HA       ASP  31  -7.348   4.895  -0.343
  213   1HB   ASP  31          2HB       ASP  31  -6.634   3.474   2.236
  214   2HB   ASP  31          1HB       ASP  31  -8.295   3.917   1.844
  215    H    GLY  32           H        GLY  32  -6.392   7.221  -0.224
  216   1HA   GLY  32          2HA       GLY  32  -6.991   8.467   2.429
  217   2HA   GLY  32          1HA       GLY  32  -5.897   9.159   1.232
  218    H    THR  33           H        THR  33  -7.456   8.831  -1.082
  219    HA   THR  33           HA       THR  33  -9.048  11.147  -1.132
  220    HB   THR  33           HB       THR  33  -9.317   8.616  -2.788
  221    HG1  THR  33           1HG      THR  33  -7.555  10.825  -2.908
  222   1HG2  THR  33          1HG2      THR  33  -9.983  10.259  -4.572
  223   2HG2  THR  33          2HG2      THR  33 -10.033  11.508  -3.328
  224   3HG2  THR  33          3HG2      THR  33 -11.137  10.136  -3.243
  225    H    PHE  34           H        PHE  34  -9.976   7.816  -0.370
  226    HA   PHE  34           HA       PHE  34 -12.601   8.820   0.651
  227   1HB   PHE  34          2HB       PHE  34 -13.567   6.696  -0.443
  228   2HB   PHE  34          1HB       PHE  34 -13.112   8.003  -1.534
  229    HD1  PHE  34           1HD      PHE  34 -11.993   4.741  -0.125
  230    HD2  PHE  34           2HD      PHE  34 -11.366   7.732  -3.146
  231    HE1  PHE  34           1HE      PHE  34 -10.415   3.229  -1.297
  232    HE2  PHE  34           2HE      PHE  34  -9.790   6.217  -4.317
  233    HZ   PHE  34           HZ       PHE  34  -9.314   3.967  -3.391
  Start of MODEL   16
    1   1H    GLU   1          1HT       GLU   1  13.973   5.092   2.997
    2   2H    GLU   1          2HT       GLU   1  13.029   4.098   1.991
    3   3H    GLU   1          3HT       GLU   1  13.267   3.680   3.620
    4    HA   GLU   1           HA       GLU   1  12.022   5.644   4.332
    5   1HB   GLU   1          2HB       GLU   1  12.494   6.179   1.486
    6   2HB   GLU   1          1HB       GLU   1  10.826   6.489   1.965
    7   1HG   GLU   1          2HG       GLU   1  12.254   7.580   4.061
    8   2HG   GLU   1          1HG       GLU   1  13.271   7.954   2.670
    9    H    CYS   2           H        CYS   2   9.502   5.799   3.960
   10    HA   CYS   2           HA       CYS   2   8.407   3.131   4.085
   11   1HB   CYS   2          2HB       CYS   2   6.274   4.364   4.288
   12   2HB   CYS   2          1HB       CYS   2   7.522   5.103   5.289
   13    H    ARG   3           H        ARG   3   6.767   2.238   2.622
   14    HA   ARG   3           HA       ARG   3   7.487   2.459  -0.186
   15   1HB   ARG   3          2HB       ARG   3   5.918   0.788   1.597
   16   2HB   ARG   3          1HB       ARG   3   5.042   1.089   0.098
   17   1HG   ARG   3          2HG       ARG   3   6.317  -0.772  -0.486
   18   2HG   ARG   3          1HG       ARG   3   7.359   0.544  -1.027
   19   1HD   ARG   3          2HD       ARG   3   8.853   0.274   0.758
   20   2HD   ARG   3          1HD       ARG   3   7.636  -0.512   1.783
   21    HE   ARG   3           HE       ARG   3   7.802  -2.504   0.314
   22   1HH1  ARG   3          1HH2      ARG   3   9.101  -0.945  -1.991
   23   2HH1  ARG   3          2HH2      ARG   3  10.723  -1.545  -1.917
   24   1HH2  ARG   3          1HH1      ARG   3  10.361  -2.894   1.265
   25   2HH2  ARG   3          2HH1      ARG   3  11.438  -2.652  -0.070
   26    H    LYS   4           H        LYS   4   6.061   3.160  -1.907
   27    HA   LYS   4           HA       LYS   4   4.137   5.295  -1.060
   28   1HB   LYS   4          2HB       LYS   4   6.323   5.144  -2.876
   29   2HB   LYS   4          1HB       LYS   4   4.864   5.333  -3.849
   30   1HG   LYS   4          2HG       LYS   4   4.561   7.468  -3.167
   31   2HG   LYS   4          1HG       LYS   4   4.873   7.057  -1.480
   32   1HD   LYS   4          2HD       LYS   4   7.356   6.885  -2.182
   33   2HD   LYS   4          1HD       LYS   4   6.865   7.750  -3.639
   34   1HE   LYS   4          2HE       LYS   4   5.977   8.863  -1.000
   35   2HE   LYS   4          1HE       LYS   4   7.670   9.093  -1.479
   36   1HZ   LYS   4          1HZ       LYS   4   5.298   9.723  -3.161
   37   2HZ   LYS   4          2HZ       LYS   4   6.920   9.931  -3.619
   38   3HZ   LYS   4          3HZ       LYS   4   6.263  10.864  -2.361
   39    H    MET   5           H        MET   5   2.622   5.610  -3.278
   40    HA   MET   5           HA       MET   5   0.722   3.460  -3.184
   41   1HB   MET   5          2HB       MET   5   1.195   5.954  -4.773
   42   2HB   MET   5          1HB       MET   5  -0.003   4.809  -5.374
   43   1HG   MET   5          2HG       MET   5  -1.442   5.189  -3.635
   44   2HG   MET   5          1HG       MET   5  -0.138   5.431  -2.473
   45   1HE   MET   5          1HE       MET   5  -2.768   7.469  -4.794
   46   2HE   MET   5          2HE       MET   5  -1.550   6.545  -5.670
   47   3HE   MET   5          3HE       MET   5  -1.511   8.306  -5.714
   48    H    PHE   6           H        PHE   6   0.458   1.680  -4.512
   49    HA   PHE   6           HA       PHE   6   1.013   0.001  -6.073
   50   1HB   PHE   6          2HB       PHE   6   2.084   2.267  -7.767
   51   2HB   PHE   6          1HB       PHE   6   1.250   0.809  -8.295
   52    HD1  PHE   6           1HD      PHE   6   0.824   4.189  -8.080
   53    HD2  PHE   6           2HD      PHE   6  -1.158   0.578  -6.861
   54    HE1  PHE   6           1HE      PHE   6  -1.336   5.402  -8.003
   55    HE2  PHE   6           2HE      PHE   6  -3.319   1.792  -6.783
   56    HZ   PHE   6           HZ       PHE   6  -3.408   4.203  -7.355
   57    H    GLY   7           H        GLY   7   3.006   0.480  -4.072
   58   1HA   GLY   7          2HA       GLY   7   5.591   0.416  -5.538
   59   2HA   GLY   7          1HA       GLY   7   5.406   0.585  -3.792
   60    H    GLY   8           H        GLY   8   4.162  -1.445  -2.817
   61   1HA   GLY   8          2HA       GLY   8   3.896  -3.961  -3.510
   62   2HA   GLY   8          1HA       GLY   8   5.630  -3.844  -3.810
   63    H    CYS   9           H        CYS   9   3.507  -4.910  -1.566
   64    HA   CYS   9           HA       CYS   9   5.519  -4.672   0.615
   65   1HB   CYS   9          2HB       CYS   9   3.648  -3.950   2.149
   66   2HB   CYS   9          1HB       CYS   9   4.056  -2.759   0.916
   67    H    SER  10           H        SER  10   4.326  -5.887   2.646
   68    HA   SER  10           HA       SER  10   3.038  -8.390   1.618
   69   1HB   SER  10          2HB       SER  10   5.486  -8.002   3.349
   70   2HB   SER  10          1HB       SER  10   4.580  -9.512   3.373
   71    HG   SER  10           HG       SER  10   6.162  -8.382   1.383
   72    H    VAL  11           H        VAL  11   3.975  -6.605   4.584
   73    HA   VAL  11           HA       VAL  11   1.477  -7.577   5.911
   74    HB   VAL  11           HB       VAL  11   2.648  -6.982   7.979
   75   1HG1  VAL  11          1HG1      VAL  11   4.741  -8.302   6.256
   76   2HG1  VAL  11          2HG1      VAL  11   3.223  -9.121   6.620
   77   3HG1  VAL  11          3HG1      VAL  11   4.308  -8.654   7.930
   78   1HG2  VAL  11          1HG2      VAL  11   5.227  -6.305   7.345
   79   2HG2  VAL  11          2HG2      VAL  11   3.980  -5.139   7.782
   80   3HG2  VAL  11          3HG2      VAL  11   4.334  -5.455   6.085
   81    H    ASP  12           H        ASP  12   0.211  -5.959   7.126
   82    HA   ASP  12           HA       ASP  12  -0.466  -3.642   5.689
   83   1HB   ASP  12          2HB       ASP  12  -0.825  -4.572   8.528
   84   2HB   ASP  12          1HB       ASP  12  -1.458  -3.006   8.018
   85    H    SER  13           H        SER  13   1.923  -4.051   8.273
   86    HA   SER  13           HA       SER  13   2.482  -1.147   8.386
   87   1HB   SER  13          2HB       SER  13   3.487  -3.620   9.811
   88   2HB   SER  13          1HB       SER  13   4.189  -2.030  10.092
   89    HG   SER  13           HG       SER  13   2.512  -2.477  11.569
   90    H    ASP  14           H        ASP  14   3.033  -1.746   5.840
   91    HA   ASP  14           HA       ASP  14   6.023  -1.999   5.745
   92   1HB   ASP  14          2HB       ASP  14   4.258  -3.904   4.915
   93   2HB   ASP  14          1HB       ASP  14   4.443  -2.964   3.434
   94    H    CYS  15           H        CYS  15   3.646   0.196   5.368
   95    HA   CYS  15           HA       CYS  15   5.052   1.557   3.107
   96   1HB   CYS  15          2HB       CYS  15   2.083   1.071   3.459
   97   2HB   CYS  15          1HB       CYS  15   2.756   2.187   2.272
   98    H    CYS  16           H        CYS  16   3.832   3.899   2.960
   99    HA   CYS  16           HA       CYS  16   4.405   5.210   5.508
  100   1HB   CYS  16          2HB       CYS  16   4.232   5.834   2.734
  101   2HB   CYS  16          1HB       CYS  16   3.091   6.887   3.569
  102    H    ALA  17           H        ALA  17   2.561   7.163   5.814
  103    HA   ALA  17           HA       ALA  17   0.358   5.914   7.108
  104   1HB   ALA  17          1HB       ALA  17   1.277   8.651   6.398
  105   2HB   ALA  17          2HB       ALA  17   0.840   7.989   7.973
  106   3HB   ALA  17          3HB       ALA  17  -0.421   8.481   6.842
  107    H    HIS  18           H        HIS  18  -1.880   5.907   6.529
  108    HA   HIS  18           HA       HIS  18  -3.748   5.772   5.111
  109   1HB   HIS  18          2HB       HIS  18  -2.023   7.907   4.039
  110   2HB   HIS  18          1HB       HIS  18  -3.115   7.208   2.847
  111    HD1  HIS  18           1HD      HIS  18  -5.718   7.190   3.538
  112    HD2  HIS  18           2HD      HIS  18  -3.252   9.612   5.867
  113    HE1  HIS  18           1HE      HIS  18  -7.248   8.760   4.806
  114    H    LEU  19           H        LEU  19  -0.981   4.173   4.594
  115    HA   LEU  19           HA       LEU  19  -1.852   3.061   1.943
  116   1HB   LEU  19          2HB       LEU  19   0.810   3.458   3.298
  117   2HB   LEU  19          1HB       LEU  19   0.636   2.220   2.056
  118    HG   LEU  19           HG       LEU  19  -0.638   4.571   1.090
  119   1HD1  LEU  19          1HD1      LEU  19   0.652   6.319   1.693
  120   2HD1  LEU  19          2HD1      LEU  19   2.128   5.430   1.319
  121   3HD1  LEU  19          3HD1      LEU  19   1.381   5.271   2.908
  122   1HD2  LEU  19          1HD2      LEU  19   1.202   2.577   0.254
  123   2HD2  LEU  19          2HD2      LEU  19   1.952   4.135  -0.088
  124   3HD2  LEU  19          3HD2      LEU  19   0.364   3.756  -0.754
  125    H    GLY  20           H        GLY  20  -2.968   1.185   2.278
  126   1HA   GLY  20          2HA       GLY  20  -2.094  -0.613   4.507
  127   2HA   GLY  20          1HA       GLY  20  -3.727  -0.579   3.841
  128    H    CYS  21           H        CYS  21  -1.147  -2.512   3.916
  129    HA   CYS  21           HA       CYS  21  -0.681  -3.166   1.138
  130   1HB   CYS  21          2HB       CYS  21   0.665  -3.672   3.322
  131   2HB   CYS  21          1HB       CYS  21  -0.398  -5.072   3.460
  132    H    LYS  22           H        LYS  22  -1.589  -4.857  -0.102
  133    HA   LYS  22           HA       LYS  22  -4.364  -5.530   0.473
  134   1HB   LYS  22          2HB       LYS  22  -3.130  -5.082  -1.764
  135   2HB   LYS  22          1HB       LYS  22  -2.588  -6.756  -1.640
  136   1HG   LYS  22          2HG       LYS  22  -4.593  -6.819  -2.934
  137   2HG   LYS  22          1HG       LYS  22  -5.045  -7.383  -1.326
  138   1HD   LYS  22          2HD       LYS  22  -5.637  -4.919  -0.832
  139   2HD   LYS  22          1HD       LYS  22  -5.564  -4.686  -2.579
  140   1HE   LYS  22          2HE       LYS  22  -7.178  -6.989  -1.530
  141   2HE   LYS  22          1HE       LYS  22  -7.862  -5.354  -1.429
  142   1HZ   LYS  22          1HZ       LYS  22  -8.366  -6.389  -3.569
  143   2HZ   LYS  22          2HZ       LYS  22  -6.708  -6.591  -3.876
  144   3HZ   LYS  22          3HZ       LYS  22  -7.373  -5.030  -3.769
  145    HA   PRO  23           HA       PRO  23  -3.488  -9.262   2.708
  146   1HB   PRO  23          2HB       PRO  23  -6.012 -10.328   2.639
  147   2HB   PRO  23          1HB       PRO  23  -5.552  -8.991   3.710
  148   1HG   PRO  23          2HG       PRO  23  -7.028  -8.923   1.130
  149   2HG   PRO  23          1HG       PRO  23  -7.271  -7.963   2.597
  150   1HD   PRO  23          2HD       PRO  23  -5.996  -7.027   0.370
  151   2HD   PRO  23          1HD       PRO  23  -5.682  -6.428   2.013
  152    H    THR  24           H        THR  24  -5.648  -9.651  -0.152
  153    HA   THR  24           HA       THR  24  -4.715 -12.363  -0.683
  154    HB   THR  24           HB       THR  24  -6.060 -10.645  -2.743
  155    HG1  THR  24           1HG      THR  24  -7.300 -11.576  -0.365
  156   1HG2  THR  24          1HG2      THR  24  -5.785 -12.944  -3.307
  157   2HG2  THR  24          2HG2      THR  24  -7.477 -12.760  -2.849
  158   3HG2  THR  24          3HG2      THR  24  -6.329 -13.472  -1.715
  159    H    LEU  25           H        LEU  25  -4.146  -9.157  -2.165
  160    HA   LEU  25           HA       LEU  25  -2.098 -10.272  -3.988
  161   1HB   LEU  25          2HB       LEU  25  -3.926  -8.132  -3.972
  162   2HB   LEU  25          1HB       LEU  25  -2.341  -7.371  -3.860
  163    HG   LEU  25           HG       LEU  25  -1.927  -9.332  -5.762
  164   1HD1  LEU  25          1HD1      LEU  25  -3.931  -8.660  -7.354
  165   2HD1  LEU  25          2HD1      LEU  25  -4.773  -8.388  -5.829
  166   3HD1  LEU  25          3HD1      LEU  25  -4.117  -9.982  -6.200
  167   1HD2  LEU  25          1HD2      LEU  25  -1.847  -7.473  -7.340
  168   2HD2  LEU  25          2HD2      LEU  25  -1.209  -6.930  -5.788
  169   3HD2  LEU  25          3HD2      LEU  25  -2.845  -6.484  -6.274
  170    H    LYS  26           H        LYS  26  -0.431  -7.824  -3.855
  171    HA   LYS  26           HA       LYS  26   0.674  -7.850  -1.104
  172   1HB   LYS  26          2HB       LYS  26   2.938  -8.447  -2.093
  173   2HB   LYS  26          1HB       LYS  26   1.753  -9.750  -2.110
  174   1HG   LYS  26          2HG       LYS  26   1.613  -8.064  -4.500
  175   2HG   LYS  26          1HG       LYS  26   3.182  -8.845  -4.305
  176   1HD   LYS  26          2HD       LYS  26   1.223 -10.794  -3.661
  177   2HD   LYS  26          1HD       LYS  26   0.688 -10.013  -5.150
  178   1HE   LYS  26          2HE       LYS  26   3.585 -10.714  -4.995
  179   2HE   LYS  26          1HE       LYS  26   2.443 -12.060  -5.175
  180   1HZ   LYS  26          1HZ       LYS  26   3.050 -11.123  -7.335
  181   2HZ   LYS  26          2HZ       LYS  26   2.483  -9.598  -6.847
  182   3HZ   LYS  26          3HZ       LYS  26   1.399 -10.897  -7.015
  183    H    TYR  27           H        TYR  27  -0.534  -5.670  -2.198
  184    HA   TYR  27           HA       TYR  27   1.761  -3.820  -2.641
  185   1HB   TYR  27          2HB       TYR  27   0.872  -2.978  -4.662
  186   2HB   TYR  27          1HB       TYR  27   0.606  -4.712  -4.803
  187    HD1  TYR  27           1HD      TYR  27  -1.687  -5.648  -4.129
  188    HD2  TYR  27           2HD      TYR  27  -0.937  -1.460  -4.722
  189    HE1  TYR  27           1HE      TYR  27  -4.120  -5.249  -4.385
  190    HE2  TYR  27           2HE      TYR  27  -3.370  -1.061  -4.976
  191    HH   TYR  27           HH       TYR  27  -5.632  -2.791  -3.964
  192    H    CYS  28           H        CYS  28   1.320  -1.667  -1.885
  193    HA   CYS  28           HA       CYS  28  -0.856  -1.494   0.090
  194   1HB   CYS  28          2HB       CYS  28   1.547   0.117  -0.713
  195   2HB   CYS  28          1HB       CYS  28   0.299   0.874   0.277
  196    H    ALA  29           H        ALA  29  -2.561   0.008   0.022
  197    HA   ALA  29           HA       ALA  29  -2.991   1.429  -2.584
  198   1HB   ALA  29          1HB       ALA  29  -5.123   0.071  -0.920
  199   2HB   ALA  29          2HB       ALA  29  -4.229  -0.791  -2.173
  200   3HB   ALA  29          3HB       ALA  29  -5.231   0.596  -2.601
  201    H    TRP  30           H        TRP  30  -2.950   3.590  -2.058
  202    HA   TRP  30           HA       TRP  30  -3.222   4.750   0.486
  203   1HB   TRP  30          2HB       TRP  30  -2.430   5.694  -1.788
  204   2HB   TRP  30          1HB       TRP  30  -4.132   6.054  -2.082
  205    HD1  TRP  30           HD       TRP  30  -5.352   7.592  -0.149
  206    HE1  TRP  30           1HE      TRP  30  -4.387   9.562   1.206
  207    HE3  TRP  30           3HE      TRP  30  -0.366   6.721  -0.779
  208    HZ2  TRP  30           2HZ      TRP  30  -1.829  10.626   1.924
  209    HZ3  TRP  30           3HZ      TRP  30   1.314   8.225   0.250
  210    HH2  TRP  30           HH       TRP  30   0.590  10.174   1.600
  211    H    ASP  31           H        ASP  31  -4.975   4.683   1.830
  212    HA   ASP  31           HA       ASP  31  -7.706   4.450   0.646
  213   1HB   ASP  31          2HB       ASP  31  -6.485   2.964   2.510
  214   2HB   ASP  31          1HB       ASP  31  -7.133   4.215   3.571
  215    H    GLY  32           H        GLY  32  -7.109   6.947   0.191
  216   1HA   GLY  32          2HA       GLY  32  -7.860   8.607   2.553
  217   2HA   GLY  32          1HA       GLY  32  -7.114   9.220   1.076
  218    H    THR  33           H        THR  33  -8.443   9.257  -0.885
  219    HA   THR  33           HA       THR  33 -11.226  10.018  -0.323
  220    HB   THR  33           HB       THR  33  -9.598   9.825  -2.884
  221    HG1  THR  33           1HG      THR  33  -8.682  11.453  -1.893
  222   1HG2  THR  33          1HG2      THR  33 -11.314  11.279  -3.851
  223   2HG2  THR  33          2HG2      THR  33 -12.197  11.286  -2.324
  224   3HG2  THR  33          3HG2      THR  33 -12.058   9.794  -3.255
  225    H    PHE  34           H        PHE  34  -9.499   7.325  -1.829
  226    HA   PHE  34           HA       PHE  34 -12.094   5.845  -2.033
  227   1HB   PHE  34          2HB       PHE  34 -11.486   5.104  -4.236
  228   2HB   PHE  34          1HB       PHE  34 -11.208   6.844  -4.207
  229    HD1  PHE  34           1HD      PHE  34  -8.863   7.725  -3.895
  230    HD2  PHE  34           2HD      PHE  34  -9.692   3.561  -4.555
  231    HE1  PHE  34           1HE      PHE  34  -6.490   7.348  -4.508
  232    HE2  PHE  34           2HE      PHE  34  -7.320   3.185  -5.165
  233    HZ   PHE  34           HZ       PHE  34  -5.718   5.078  -5.143
  Start of MODEL   17
    1   1H    GLU   1          1HT       GLU   1  13.359   4.697   4.080
    2   2H    GLU   1          2HT       GLU   1  12.721   3.152   3.768
    3   3H    GLU   1          3HT       GLU   1  12.072   4.107   5.013
    4    HA   GLU   1           HA       GLU   1  11.316   5.748   3.356
    5   1HB   GLU   1          2HB       GLU   1  13.126   5.234   1.768
    6   2HB   GLU   1          1HB       GLU   1  12.458   3.623   1.508
    7   1HG   GLU   1          2HG       GLU   1  10.986   4.404  -0.009
    8   2HG   GLU   1          1HG       GLU   1  10.422   5.652   1.102
    9    H    CYS   2           H        CYS   2   9.108   5.527   3.389
   10    HA   CYS   2           HA       CYS   2   7.857   2.938   3.874
   11   1HB   CYS   2          2HB       CYS   2   5.822   4.293   3.964
   12   2HB   CYS   2          1HB       CYS   2   7.117   5.141   4.807
   13    H    ARG   3           H        ARG   3   6.343   1.868   2.436
   14    HA   ARG   3           HA       ARG   3   7.088   1.985  -0.384
   15   1HB   ARG   3          2HB       ARG   3   5.167   0.426   1.334
   16   2HB   ARG   3          1HB       ARG   3   5.076   0.298  -0.420
   17   1HG   ARG   3          2HG       ARG   3   7.523  -0.264   1.281
   18   2HG   ARG   3          1HG       ARG   3   6.519  -1.469   0.475
   19   1HD   ARG   3          2HD       ARG   3   7.076  -0.012  -1.683
   20   2HD   ARG   3          1HD       ARG   3   8.493   0.447  -0.716
   21    HE   ARG   3           HE       ARG   3   7.837  -2.307  -1.611
   22   1HH1  ARG   3          1HH2      ARG   3   8.881  -2.383   1.188
   23   2HH1  ARG   3          2HH2      ARG   3  10.592  -2.493   0.941
   24   1HH2  ARG   3          1HH1      ARG   3  10.446  -1.473  -2.377
   25   2HH2  ARG   3          2HH1      ARG   3  11.481  -1.977  -1.083
   26    H    LYS   4           H        LYS   4   6.264   3.481  -1.760
   27    HA   LYS   4           HA       LYS   4   3.956   5.122  -1.125
   28   1HB   LYS   4          2HB       LYS   4   6.165   5.239  -2.773
   29   2HB   LYS   4          1HB       LYS   4   4.865   4.951  -3.930
   30   1HG   LYS   4          2HG       LYS   4   4.025   7.031  -3.659
   31   2HG   LYS   4          1HG       LYS   4   4.140   6.933  -1.902
   32   1HD   LYS   4          2HD       LYS   4   6.163   7.975  -1.849
   33   2HD   LYS   4          1HD       LYS   4   6.739   7.141  -3.292
   34   1HE   LYS   4          2HE       LYS   4   4.573   9.184  -3.644
   35   2HE   LYS   4          1HE       LYS   4   6.229   9.756  -3.363
   36   1HZ   LYS   4          1HZ       LYS   4   5.428   7.741  -5.399
   37   2HZ   LYS   4          2HZ       LYS   4   7.007   8.305  -5.125
   38   3HZ   LYS   4          3HZ       LYS   4   5.818   9.358  -5.727
   39    H    MET   5           H        MET   5   2.386   5.301  -3.307
   40    HA   MET   5           HA       MET   5   0.567   3.130  -3.166
   41   1HB   MET   5          2HB       MET   5   1.032   5.556  -4.768
   42   2HB   MET   5          1HB       MET   5   0.155   4.299  -5.640
   43   1HG   MET   5          2HG       MET   5  -1.708   4.584  -4.389
   44   2HG   MET   5          1HG       MET   5  -0.788   4.629  -2.886
   45   1HE   MET   5          1HE       MET   5  -1.847   8.094  -5.694
   46   2HE   MET   5          2HE       MET   5  -2.456   6.442  -5.732
   47   3HE   MET   5          3HE       MET   5  -0.792   6.770  -6.208
   48    H    PHE   6           H        PHE   6   0.532   1.148  -4.156
   49    HA   PHE   6           HA       PHE   6   1.223  -0.683  -5.472
   50   1HB   PHE   6          2HB       PHE   6   1.620   1.712  -7.287
   51   2HB   PHE   6          1HB       PHE   6   1.807   0.055  -7.857
   52    HD1  PHE   6           1HD      PHE   6  -0.115  -1.481  -7.939
   53    HD2  PHE   6           2HD      PHE   6  -0.563   2.605  -6.689
   54    HE1  PHE   6           1HE      PHE   6  -2.574  -1.667  -8.208
   55    HE2  PHE   6           2HE      PHE   6  -3.020   2.419  -6.958
   56    HZ   PHE   6           HZ       PHE   6  -4.026   0.282  -7.717
   57    H    GLY   7           H        GLY   7   3.213   0.358  -3.632
   58   1HA   GLY   7          2HA       GLY   7   5.765   0.374  -5.116
   59   2HA   GLY   7          1HA       GLY   7   5.575   0.600  -3.378
   60    H    GLY   8           H        GLY   8   3.809  -1.836  -3.209
   61   1HA   GLY   8          2HA       GLY   8   4.081  -4.245  -3.454
   62   2HA   GLY   8          1HA       GLY   8   5.798  -3.982  -3.772
   63    H    CYS   9           H        CYS   9   3.466  -4.624  -1.352
   64    HA   CYS   9           HA       CYS   9   5.566  -4.307   0.774
   65   1HB   CYS   9          2HB       CYS   9   3.574  -3.782   2.253
   66   2HB   CYS   9          1HB       CYS   9   3.902  -2.580   1.009
   67    H    SER  10           H        SER  10   4.439  -5.551   2.857
   68    HA   SER  10           HA       SER  10   3.617  -8.276   1.910
   69   1HB   SER  10          2HB       SER  10   6.089  -7.833   2.632
   70   2HB   SER  10          1HB       SER  10   5.434  -7.777   4.267
   71    HG   SER  10           HG       SER  10   6.055  -9.903   2.864
   72    H    VAL  11           H        VAL  11   3.898  -6.179   4.815
   73    HA   VAL  11           HA       VAL  11   1.361  -7.404   5.852
   74    HB   VAL  11           HB       VAL  11   2.240  -6.685   8.071
   75   1HG1  VAL  11          1HG1      VAL  11   4.512  -8.132   6.757
   76   2HG1  VAL  11          2HG1      VAL  11   2.915  -8.881   6.758
   77   3HG1  VAL  11          3HG1      VAL  11   3.700  -8.476   8.284
   78   1HG2  VAL  11          1HG2      VAL  11   4.426  -5.709   8.303
   79   2HG2  VAL  11          2HG2      VAL  11   3.572  -4.741   7.101
   80   3HG2  VAL  11          3HG2      VAL  11   4.773  -5.925   6.588
   81    H    ASP  12           H        ASP  12  -0.024  -5.816   7.124
   82    HA   ASP  12           HA       ASP  12  -0.789  -3.577   5.600
   83   1HB   ASP  12          2HB       ASP  12  -1.548  -4.921   7.979
   84   2HB   ASP  12          1HB       ASP  12  -1.415  -3.209   8.385
   85    H    SER  13           H        SER  13   1.463  -3.782   8.332
   86    HA   SER  13           HA       SER  13   1.915  -0.854   8.326
   87   1HB   SER  13          2HB       SER  13   1.757  -2.505  10.339
   88   2HB   SER  13          1HB       SER  13   3.404  -2.955   9.906
   89    HG   SER  13           HG       SER  13   4.088  -1.104  10.646
   90    H    ASP  14           H        ASP  14   2.624  -1.855   5.856
   91    HA   ASP  14           HA       ASP  14   5.623  -1.894   5.950
   92   1HB   ASP  14          2HB       ASP  14   4.221  -4.026   5.371
   93   2HB   ASP  14          1HB       ASP  14   3.946  -3.222   3.827
   94    H    CYS  15           H        CYS  15   3.037   0.016   5.105
   95    HA   CYS  15           HA       CYS  15   4.497   1.193   2.756
   96   1HB   CYS  15          2HB       CYS  15   1.510   1.181   3.290
   97   2HB   CYS  15          1HB       CYS  15   2.316   1.703   1.814
   98    H    CYS  16           H        CYS  16   3.266   3.575   2.480
   99    HA   CYS  16           HA       CYS  16   4.121   5.092   4.838
  100   1HB   CYS  16          2HB       CYS  16   3.802   5.484   2.064
  101   2HB   CYS  16          1HB       CYS  16   2.644   6.576   2.823
  102    H    ALA  17           H        ALA  17   2.305   7.144   5.017
  103    HA   ALA  17           HA       ALA  17   0.261   6.103   6.701
  104   1HB   ALA  17          1HB       ALA  17  -0.570   8.594   6.258
  105   2HB   ALA  17          2HB       ALA  17   1.011   8.729   5.489
  106   3HB   ALA  17          3HB       ALA  17   0.893   8.277   7.190
  107    H    HIS  18           H        HIS  18  -1.991   5.900   6.358
  108    HA   HIS  18           HA       HIS  18  -3.971   5.462   5.172
  109   1HB   HIS  18          2HB       HIS  18  -2.636   7.553   3.428
  110   2HB   HIS  18          1HB       HIS  18  -4.285   6.988   3.166
  111    HD1  HIS  18           1HD      HIS  18  -5.765   7.079   5.585
  112    HD2  HIS  18           2HD      HIS  18  -2.603   9.750   5.086
  113    HE1  HIS  18           1HE      HIS  18  -6.144   8.957   7.241
  114    H    LEU  19           H        LEU  19  -1.429   3.885   4.554
  115    HA   LEU  19           HA       LEU  19  -2.284   2.877   1.854
  116   1HB   LEU  19          2HB       LEU  19   0.397   3.415   3.100
  117   2HB   LEU  19          1HB       LEU  19   0.260   2.138   1.893
  118    HG   LEU  19           HG       LEU  19  -1.112   4.611   1.124
  119   1HD1  LEU  19          1HD1      LEU  19   1.912   4.644   1.229
  120   2HD1  LEU  19          2HD1      LEU  19   0.902   5.451   2.429
  121   3HD1  LEU  19          3HD1      LEU  19   0.838   5.956   0.742
  122   1HD2  LEU  19          1HD2      LEU  19  -0.052   4.129  -0.998
  123   2HD2  LEU  19          2HD2      LEU  19  -0.636   2.608  -0.324
  124   3HD2  LEU  19          3HD2      LEU  19   1.078   3.014  -0.230
  125    H    GLY  20           H        GLY  20  -3.375   0.991   2.277
  126   1HA   GLY  20          2HA       GLY  20  -2.378  -0.787   4.452
  127   2HA   GLY  20          1HA       GLY  20  -3.986  -0.869   3.730
  128    H    CYS  21           H        CYS  21  -1.301  -2.629   3.909
  129    HA   CYS  21           HA       CYS  21  -0.674  -3.260   1.156
  130   1HB   CYS  21          2HB       CYS  21   0.626  -3.663   3.362
  131   2HB   CYS  21          1HB       CYS  21  -0.382  -5.100   3.534
  132    H    LYS  22           H        LYS  22  -2.013  -4.316  -0.240
  133    HA   LYS  22           HA       LYS  22  -4.438  -5.671   0.660
  134   1HB   LYS  22          2HB       LYS  22  -3.033  -5.295  -1.999
  135   2HB   LYS  22          1HB       LYS  22  -4.577  -6.132  -1.849
  136   1HG   LYS  22          2HG       LYS  22  -4.081  -3.315  -0.848
  137   2HG   LYS  22          1HG       LYS  22  -4.803  -3.690  -2.412
  138   1HD   LYS  22          2HD       LYS  22  -6.172  -5.229  -0.434
  139   2HD   LYS  22          1HD       LYS  22  -6.088  -3.565   0.142
  140   1HE   LYS  22          2HE       LYS  22  -6.840  -4.024  -2.728
  141   2HE   LYS  22          1HE       LYS  22  -8.061  -4.313  -1.475
  142   1HZ   LYS  22          1HZ       LYS  22  -7.469  -2.117  -0.529
  143   2HZ   LYS  22          2HZ       LYS  22  -8.138  -2.009  -2.087
  144   3HZ   LYS  22          3HZ       LYS  22  -6.464  -1.837  -1.864
  145    HA   PRO  23           HA       PRO  23  -2.936  -9.797   0.939
  146   1HB   PRO  23          2HB       PRO  23  -5.098 -11.222   0.028
  147   2HB   PRO  23          1HB       PRO  23  -5.046 -10.439   1.620
  148   1HG   PRO  23          2HG       PRO  23  -6.373  -9.545  -0.884
  149   2HG   PRO  23          1HG       PRO  23  -6.907  -9.391   0.795
  150   1HD   PRO  23          2HD       PRO  23  -5.801  -7.346  -0.647
  151   2HD   PRO  23          1HD       PRO  23  -5.737  -7.458   1.125
  152    H    THR  24           H        THR  24  -4.951  -9.879  -2.051
  153    HA   THR  24           HA       THR  24  -3.020 -11.491  -3.486
  154    HB   THR  24           HB       THR  24  -4.542 -10.776  -5.436
  155    HG1  THR  24           1HG      THR  24  -6.109  -9.405  -5.036
  156   1HG2  THR  24          1HG2      THR  24  -4.840 -12.765  -3.762
  157   2HG2  THR  24          2HG2      THR  24  -6.185 -12.314  -4.810
  158   3HG2  THR  24          3HG2      THR  24  -6.167 -11.796  -3.124
  159    H    LEU  25           H        LEU  25  -1.521 -10.796  -5.082
  160    HA   LEU  25           HA       LEU  25  -0.162  -9.305  -6.318
  161   1HB   LEU  25          2HB       LEU  25  -2.607  -8.002  -6.067
  162   2HB   LEU  25          1HB       LEU  25  -1.456  -6.827  -5.435
  163    HG   LEU  25           HG       LEU  25  -0.589  -8.199  -7.903
  164   1HD1  LEU  25          1HD1      LEU  25  -3.166  -7.731  -8.064
  165   2HD1  LEU  25          2HD1      LEU  25  -2.116  -7.228  -9.389
  166   3HD1  LEU  25          3HD1      LEU  25  -2.668  -6.044  -8.204
  167   1HD2  LEU  25          1HD2      LEU  25   0.800  -6.436  -7.294
  168   2HD2  LEU  25          2HD2      LEU  25  -0.533  -5.467  -6.665
  169   3HD2  LEU  25          3HD2      LEU  25  -0.291  -5.611  -8.407
  170    H    LYS  26           H        LYS  26  -1.118  -8.148  -3.053
  171    HA   LYS  26           HA       LYS  26   0.204  -7.500  -1.231
  172   1HB   LYS  26          2HB       LYS  26   1.785  -9.280  -2.843
  173   2HB   LYS  26          1HB       LYS  26   2.834  -8.010  -2.215
  174   1HG   LYS  26          2HG       LYS  26   2.311  -8.524   0.032
  175   2HG   LYS  26          1HG       LYS  26   0.871  -9.436  -0.423
  176   1HD   LYS  26          2HD       LYS  26   2.070 -11.333  -0.566
  177   2HD   LYS  26          1HD       LYS  26   3.164 -10.584  -1.729
  178   1HE   LYS  26          2HE       LYS  26   4.325  -9.483   0.277
  179   2HE   LYS  26          1HE       LYS  26   3.399 -10.606   1.292
  180   1HZ   LYS  26          1HZ       LYS  26   5.127 -11.384  -1.002
  181   2HZ   LYS  26          2HZ       LYS  26   4.239 -12.448  -0.019
  182   3HZ   LYS  26          3HZ       LYS  26   5.533 -11.565   0.634
  183    H    TYR  27           H        TYR  27  -0.625  -5.437  -2.662
  184    HA   TYR  27           HA       TYR  27   1.792  -3.682  -2.975
  185   1HB   TYR  27          2HB       TYR  27   0.837  -2.752  -4.935
  186   2HB   TYR  27          1HB       TYR  27   0.511  -4.475  -5.087
  187    HD1  TYR  27           1HD      TYR  27  -1.771  -5.368  -4.503
  188    HD2  TYR  27           2HD      TYR  27  -0.935  -1.161  -4.714
  189    HE1  TYR  27           1HE      TYR  27  -4.200  -4.893  -4.649
  190    HE2  TYR  27           2HE      TYR  27  -3.364  -0.685  -4.857
  191    HH   TYR  27           HH       TYR  27  -5.620  -2.345  -3.952
  192    H    CYS  28           H        CYS  28   1.512  -1.505  -2.215
  193    HA   CYS  28           HA       CYS  28  -0.324  -1.200   0.009
  194   1HB   CYS  28          2HB       CYS  28   1.300   0.904  -1.465
  195   2HB   CYS  28          1HB       CYS  28   0.705   1.005   0.191
  196    H    ALA  29           H        ALA  29  -2.327  -0.237   0.056
  197    HA   ALA  29           HA       ALA  29  -3.353   0.967  -2.497
  198   1HB   ALA  29          1HB       ALA  29  -5.575   0.185  -1.554
  199   2HB   ALA  29          2HB       ALA  29  -4.672  -0.601  -0.260
  200   3HB   ALA  29          3HB       ALA  29  -4.448  -1.118  -1.931
  201    H    TRP  30           H        TRP  30  -3.378   3.180  -2.242
  202    HA   TRP  30           HA       TRP  30  -3.441   4.508   0.322
  203   1HB   TRP  30          2HB       TRP  30  -2.446   5.408  -1.776
  204   2HB   TRP  30          1HB       TRP  30  -4.063   5.530  -2.471
  205    HD1  TRP  30           HD       TRP  30  -5.761   7.291  -1.318
  206    HE1  TRP  30           1HE      TRP  30  -5.297   9.465  -0.015
  207    HE3  TRP  30           3HE      TRP  30  -0.824   6.612  -0.198
  208    HZ2  TRP  30           2HZ      TRP  30  -3.118  10.749   1.322
  209    HZ3  TRP  30           3HZ      TRP  30   0.419   8.326   1.090
  210    HH2  TRP  30           HH       TRP  30  -0.721  10.392   1.851
  211    H    ASP  31           H        ASP  31  -5.217   4.816   1.597
  212    HA   ASP  31           HA       ASP  31  -7.903   5.011   0.284
  213   1HB   ASP  31          2HB       ASP  31  -6.857   3.175   2.403
  214   2HB   ASP  31          1HB       ASP  31  -8.534   3.708   2.531
  215    H    GLY  32           H        GLY  32  -6.575   7.305   0.966
  216   1HA   GLY  32          2HA       GLY  32  -7.357   8.119   3.695
  217   2HA   GLY  32          1HA       GLY  32  -6.485   9.114   2.527
  218    H    THR  33           H        THR  33  -7.944   9.386   0.396
  219    HA   THR  33           HA       THR  33 -10.510  10.582   1.336
  220    HB   THR  33           HB       THR  33  -9.090  10.852  -1.329
  221    HG1  THR  33           1HG      THR  33  -8.804  12.391   1.039
  222   1HG2  THR  33          1HG2      THR  33 -11.384  11.665  -1.324
  223   2HG2  THR  33          2HG2      THR  33 -10.286  13.044  -1.345
  224   3HG2  THR  33          3HG2      THR  33 -11.090  12.578   0.155
  225    H    PHE  34           H        PHE  34  -9.538   7.660   0.075
  226    HA   PHE  34           HA       PHE  34 -11.338   7.194  -2.108
  227   1HB   PHE  34          2HB       PHE  34  -9.804   5.547  -0.109
  228   2HB   PHE  34          1HB       PHE  34 -10.946   4.748  -1.188
  229    HD1  PHE  34           1HD      PHE  34 -10.063   3.903  -3.156
  230    HD2  PHE  34           2HD      PHE  34  -8.301   7.422  -1.434
  231    HE1  PHE  34           1HE      PHE  34  -8.392   3.963  -4.985
  232    HE2  PHE  34           2HE      PHE  34  -6.632   7.484  -3.265
  233    HZ   PHE  34           HZ       PHE  34  -6.677   5.754  -5.041
  Start of MODEL   18
    1   1H    GLU   1          1HT       GLU   1  13.199   5.376   5.263
    2   2H    GLU   1          2HT       GLU   1  12.659   3.767   5.365
    3   3H    GLU   1          3HT       GLU   1  11.677   5.035   5.925
    4    HA   GLU   1           HA       GLU   1  11.519   5.906   3.633
    5   1HB   GLU   1          2HB       GLU   1  13.776   4.342   3.368
    6   2HB   GLU   1          1HB       GLU   1  12.556   3.370   2.545
    7   1HG   GLU   1          2HG       GLU   1  12.363   4.843   0.829
    8   2HG   GLU   1          1HG       GLU   1  12.424   6.240   1.903
    9    H    CYS   2           H        CYS   2   9.315   5.621   3.674
   10    HA   CYS   2           HA       CYS   2   8.141   2.952   4.170
   11   1HB   CYS   2          2HB       CYS   2   6.080   4.221   4.358
   12   2HB   CYS   2          1HB       CYS   2   7.347   5.110   5.201
   13    H    ARG   3           H        ARG   3   6.197   2.380   2.674
   14    HA   ARG   3           HA       ARG   3   7.159   2.450  -0.137
   15   1HB   ARG   3          2HB       ARG   3   6.290   0.447   1.414
   16   2HB   ARG   3          1HB       ARG   3   4.731   0.962   0.773
   17   1HG   ARG   3          2HG       ARG   3   5.454  -0.640  -0.794
   18   2HG   ARG   3          1HG       ARG   3   5.909   0.889  -1.545
   19   1HD   ARG   3          2HD       ARG   3   8.210   0.622  -0.535
   20   2HD   ARG   3          1HD       ARG   3   7.724  -1.002  -0.010
   21    HE   ARG   3           HE       ARG   3   7.210  -1.454  -2.464
   22   1HH1  ARG   3          1HH2      ARG   3   7.703   1.362  -3.412
   23   2HH1  ARG   3          2HH2      ARG   3   9.308   1.248  -4.053
   24   1HH2  ARG   3          1HH1      ARG   3  10.013  -1.761  -2.460
   25   2HH2  ARG   3          2HH1      ARG   3  10.619  -0.525  -3.512
   26    H    LYS   4           H        LYS   4   5.820   3.193  -1.862
   27    HA   LYS   4           HA       LYS   4   3.674   5.102  -1.029
   28   1HB   LYS   4          2HB       LYS   4   5.899   5.194  -2.768
   29   2HB   LYS   4          1HB       LYS   4   4.478   5.197  -3.813
   30   1HG   LYS   4          2HG       LYS   4   4.121   6.933  -1.497
   31   2HG   LYS   4          1HG       LYS   4   5.525   7.400  -2.455
   32   1HD   LYS   4          2HD       LYS   4   3.428   6.756  -4.276
   33   2HD   LYS   4          1HD       LYS   4   2.754   7.826  -3.047
   34   1HE   LYS   4          2HE       LYS   4   5.439   8.578  -4.101
   35   2HE   LYS   4          1HE       LYS   4   4.067   8.778  -5.207
   36   1HZ   LYS   4          1HZ       LYS   4   4.195  10.744  -3.902
   37   2HZ   LYS   4          2HZ       LYS   4   4.337   9.863  -2.456
   38   3HZ   LYS   4          3HZ       LYS   4   2.871   9.860  -3.316
   39    H    MET   5           H        MET   5   2.136   5.343  -3.206
   40    HA   MET   5           HA       MET   5   0.439   3.024  -3.222
   41   1HB   MET   5          2HB       MET   5   0.535   5.724  -4.262
   42   2HB   MET   5          1HB       MET   5  -0.051   4.627  -5.512
   43   1HG   MET   5          2HG       MET   5  -1.163   4.305  -2.759
   44   2HG   MET   5          1HG       MET   5  -1.706   5.690  -3.705
   45   1HE   MET   5          1HE       MET   5  -4.281   4.617  -5.786
   46   2HE   MET   5          2HE       MET   5  -3.402   5.791  -4.809
   47   3HE   MET   5          3HE       MET   5  -4.463   4.622  -4.027
   48    H    PHE   6           H        PHE   6   0.169   1.415  -4.824
   49    HA   PHE   6           HA       PHE   6   0.871  -0.105  -6.490
   50   1HB   PHE   6          2HB       PHE   6   1.915   2.441  -7.774
   51   2HB   PHE   6          1HB       PHE   6   1.412   0.970  -8.600
   52    HD1  PHE   6           1HD      PHE   6  -1.097   0.187  -7.598
   53    HD2  PHE   6           2HD      PHE   6   0.411   4.185  -8.043
   54    HE1  PHE   6           1HE      PHE   6  -3.419   1.051  -7.719
   55    HE2  PHE   6           2HE      PHE   6  -1.910   5.048  -8.164
   56    HZ   PHE   6           HZ       PHE   6  -3.825   3.480  -8.003
   57    H    GLY   7           H        GLY   7   2.707   0.147  -4.323
   58   1HA   GLY   7          2HA       GLY   7   5.371   0.143  -5.678
   59   2HA   GLY   7          1HA       GLY   7   5.127   0.386  -3.948
   60    H    GLY   8           H        GLY   8   4.871  -1.416  -2.610
   61   1HA   GLY   8          2HA       GLY   8   4.193  -4.033  -3.261
   62   2HA   GLY   8          1HA       GLY   8   5.916  -3.927  -3.624
   63    H    CYS   9           H        CYS   9   4.047  -5.087  -1.331
   64    HA   CYS   9           HA       CYS   9   6.028  -4.542   0.822
   65   1HB   CYS   9          2HB       CYS   9   4.061  -4.055   2.360
   66   2HB   CYS   9          1HB       CYS   9   4.370  -2.821   1.140
   67    H    SER  10           H        SER  10   4.897  -5.847   2.903
   68    HA   SER  10           HA       SER  10   4.130  -8.561   1.869
   69   1HB   SER  10          2HB       SER  10   6.274  -7.632   3.758
   70   2HB   SER  10          1HB       SER  10   5.562  -9.223   4.000
   71    HG   SER  10           HG       SER  10   7.158  -8.254   1.940
   72    H    VAL  11           H        VAL  11   4.425  -6.719   4.941
   73    HA   VAL  11           HA       VAL  11   1.824  -7.908   5.833
   74    HB   VAL  11           HB       VAL  11   3.913  -6.411   7.445
   75   1HG1  VAL  11          1HG1      VAL  11   2.860  -7.933   9.254
   76   2HG1  VAL  11          2HG1      VAL  11   1.551  -8.167   8.095
   77   3HG1  VAL  11          3HG1      VAL  11   1.918  -6.550   8.695
   78   1HG2  VAL  11          1HG2      VAL  11   5.146  -8.250   6.620
   79   2HG2  VAL  11          2HG2      VAL  11   3.742  -9.319   6.653
   80   3HG2  VAL  11          3HG2      VAL  11   4.521  -8.838   8.161
   81    H    ASP  12           H        ASP  12   0.372  -6.359   7.021
   82    HA   ASP  12           HA       ASP  12  -0.315  -4.085   5.525
   83   1HB   ASP  12          2HB       ASP  12  -1.226  -5.493   7.777
   84   2HB   ASP  12          1HB       ASP  12  -1.029  -3.827   8.324
   85    H    SER  13           H        SER  13   1.920  -4.364   8.248
   86    HA   SER  13           HA       SER  13   2.286  -1.432   8.429
   87   1HB   SER  13          2HB       SER  13   2.225  -3.268  10.304
   88   2HB   SER  13          1HB       SER  13   3.901  -3.550   9.839
   89    HG   SER  13           HG       SER  13   4.446  -1.658  10.635
   90    H    ASP  14           H        ASP  14   3.018  -2.192   5.875
   91    HA   ASP  14           HA       ASP  14   6.016  -2.047   5.972
   92   1HB   ASP  14          2HB       ASP  14   4.145  -3.864   4.507
   93   2HB   ASP  14          1HB       ASP  14   5.628  -3.381   3.688
   94    H    CYS  15           H        CYS  15   3.545  -0.129   5.427
   95    HA   CYS  15           HA       CYS  15   4.738   1.095   2.963
   96   1HB   CYS  15          2HB       CYS  15   1.792   0.904   3.668
   97   2HB   CYS  15          1HB       CYS  15   2.477   1.539   2.173
   98    H    CYS  16           H        CYS  16   3.410   3.422   2.817
   99    HA   CYS  16           HA       CYS  16   4.267   4.880   5.225
  100   1HB   CYS  16          2HB       CYS  16   4.011   5.351   2.469
  101   2HB   CYS  16          1HB       CYS  16   2.784   6.379   3.207
  102    H    ALA  17           H        ALA  17   2.457   6.862   5.584
  103    HA   ALA  17           HA       ALA  17   0.361   5.685   7.100
  104   1HB   ALA  17          1HB       ALA  17  -0.258   8.378   6.327
  105   2HB   ALA  17          2HB       ALA  17   1.484   8.246   6.563
  106   3HB   ALA  17          3HB       ALA  17   0.381   7.805   7.867
  107    H    HIS  18           H        HIS  18  -1.877   5.514   6.669
  108    HA   HIS  18           HA       HIS  18  -3.819   5.185   5.386
  109   1HB   HIS  18          2HB       HIS  18  -2.432   7.263   3.658
  110   2HB   HIS  18          1HB       HIS  18  -4.135   6.830   3.555
  111    HD1  HIS  18           1HD      HIS  18  -3.654   9.695   4.216
  112    HD2  HIS  18           2HD      HIS  18  -3.767   6.777   7.192
  113    HE1  HIS  18           1HE      HIS  18  -4.174  10.899   6.383
  114    H    LEU  19           H        LEU  19  -1.245   3.625   4.789
  115    HA   LEU  19           HA       LEU  19  -2.079   2.655   2.076
  116   1HB   LEU  19          2HB       LEU  19   0.591   3.416   3.206
  117   2HB   LEU  19          1HB       LEU  19   0.528   2.109   2.025
  118    HG   LEU  19           HG       LEU  19  -0.985   4.599   1.405
  119   1HD1  LEU  19          1HD1      LEU  19   0.952   5.757   1.956
  120   2HD1  LEU  19          2HD1      LEU  19   1.303   5.320   0.284
  121   3HD1  LEU  19          3HD1      LEU  19   1.996   4.380   1.605
  122   1HD2  LEU  19          1HD2      LEU  19  -0.647   3.925  -0.807
  123   2HD2  LEU  19          2HD2      LEU  19  -0.740   2.377   0.033
  124   3HD2  LEU  19          3HD2      LEU  19   0.831   3.044  -0.416
  125    H    GLY  20           H        GLY  20  -3.058   0.717   2.594
  126   1HA   GLY  20          2HA       GLY  20  -1.792  -1.022   4.653
  127   2HA   GLY  20          1HA       GLY  20  -3.428  -1.212   4.023
  128    H    CYS  21           H        CYS  21  -0.867  -2.978   4.094
  129    HA   CYS  21           HA       CYS  21  -0.135  -3.445   1.329
  130   1HB   CYS  21          2HB       CYS  21   1.083  -4.012   3.548
  131   2HB   CYS  21          1HB       CYS  21   0.039  -5.433   3.599
  132    H    LYS  22           H        LYS  22  -1.451  -4.368  -0.170
  133    HA   LYS  22           HA       LYS  22  -3.954  -5.674   0.507
  134   1HB   LYS  22          2HB       LYS  22  -2.394  -4.860  -1.876
  135   2HB   LYS  22          1HB       LYS  22  -3.490  -6.217  -2.131
  136   1HG   LYS  22          2HG       LYS  22  -4.747  -4.111  -0.559
  137   2HG   LYS  22          1HG       LYS  22  -4.187  -3.510  -2.120
  138   1HD   LYS  22          2HD       LYS  22  -5.520  -5.019  -3.327
  139   2HD   LYS  22          1HD       LYS  22  -5.694  -6.110  -1.953
  140   1HE   LYS  22          2HE       LYS  22  -7.778  -5.072  -1.900
  141   2HE   LYS  22          1HE       LYS  22  -6.867  -3.949  -0.872
  142   1HZ   LYS  22          1HZ       LYS  22  -6.320  -2.648  -2.843
  143   2HZ   LYS  22          2HZ       LYS  22  -8.003  -2.756  -2.644
  144   3HZ   LYS  22          3HZ       LYS  22  -7.221  -3.707  -3.816
  145    HA   PRO  23           HA       PRO  23  -2.268  -9.759   0.945
  146   1HB   PRO  23          2HB       PRO  23  -4.637 -11.119   1.038
  147   2HB   PRO  23          1HB       PRO  23  -4.019 -10.160   2.396
  148   1HG   PRO  23          2HG       PRO  23  -6.140  -9.507   0.432
  149   2HG   PRO  23          1HG       PRO  23  -6.012  -9.080   2.145
  150   1HD   PRO  23          2HD       PRO  23  -5.457  -7.378   0.039
  151   2HD   PRO  23          1HD       PRO  23  -4.859  -7.176   1.700
  152    H    THR  24           H        THR  24  -4.174  -8.684  -1.751
  153    HA   THR  24           HA       THR  24  -4.101 -11.248  -3.194
  154    HB   THR  24           HB       THR  24  -5.041  -9.679  -5.017
  155    HG1  THR  24           1HG      THR  24  -5.101  -7.643  -4.566
  156   1HG2  THR  24          1HG2      THR  24  -6.736  -9.429  -2.585
  157   2HG2  THR  24          2HG2      THR  24  -6.247 -11.056  -3.052
  158   3HG2  THR  24          3HG2      THR  24  -7.147 -10.048  -4.185
  159    H    LEU  25           H        LEU  25  -2.785  -7.975  -3.950
  160    HA   LEU  25           HA       LEU  25  -0.703  -9.303  -5.635
  161   1HB   LEU  25          2HB       LEU  25  -2.064  -6.632  -5.528
  162   2HB   LEU  25          1HB       LEU  25  -0.485  -6.752  -6.304
  163    HG   LEU  25           HG       LEU  25  -1.888  -8.958  -7.284
  164   1HD1  LEU  25          1HD1      LEU  25  -4.010  -8.107  -8.069
  165   2HD1  LEU  25          2HD1      LEU  25  -3.670  -6.509  -7.406
  166   3HD1  LEU  25          3HD1      LEU  25  -3.952  -7.871  -6.322
  167   1HD2  LEU  25          1HD2      LEU  25  -1.469  -6.199  -8.480
  168   2HD2  LEU  25          2HD2      LEU  25  -1.894  -7.640  -9.403
  169   3HD2  LEU  25          3HD2      LEU  25  -0.344  -7.555  -8.565
  170    H    LYS  26           H        LYS  26  -0.957  -8.134  -2.503
  171    HA   LYS  26           HA       LYS  26   0.633  -7.540  -0.882
  172   1HB   LYS  26          2HB       LYS  26   2.391  -8.658  -3.088
  173   2HB   LYS  26          1HB       LYS  26   3.004  -8.225  -1.495
  174   1HG   LYS  26          2HG       LYS  26   0.596  -9.896  -1.378
  175   2HG   LYS  26          1HG       LYS  26   1.950 -10.689  -2.183
  176   1HD   LYS  26          2HD       LYS  26   2.973 -11.029  -0.212
  177   2HD   LYS  26          1HD       LYS  26   2.920  -9.302   0.146
  178   1HE   LYS  26          2HE       LYS  26   0.453 -11.012   0.507
  179   2HE   LYS  26          1HE       LYS  26   1.680 -10.904   1.783
  180   1HZ   LYS  26          1HZ       LYS  26   1.539  -8.387   1.336
  181   2HZ   LYS  26          2HZ       LYS  26   0.299  -9.113   2.242
  182   3HZ   LYS  26          3HZ       LYS  26   0.049  -8.741   0.604
  183    H    TYR  27           H        TYR  27  -0.343  -5.403  -2.293
  184    HA   TYR  27           HA       TYR  27   2.092  -3.668  -2.589
  185   1HB   TYR  27          2HB       TYR  27   1.192  -2.714  -4.559
  186   2HB   TYR  27          1HB       TYR  27   0.836  -4.429  -4.730
  187    HD1  TYR  27           1HD      TYR  27  -0.560  -1.085  -4.186
  188    HD2  TYR  27           2HD      TYR  27  -1.465  -5.281  -4.378
  189    HE1  TYR  27           1HE      TYR  27  -2.974  -0.557  -4.389
  190    HE2  TYR  27           2HE      TYR  27  -3.877  -4.751  -4.579
  191    HH   TYR  27           HH       TYR  27  -5.190  -2.494  -5.517
  192    H    CYS  28           H        CYS  28   1.735  -1.408  -1.970
  193    HA   CYS  28           HA       CYS  28  -0.118  -1.133   0.281
  194   1HB   CYS  28          2HB       CYS  28   1.579   0.994  -1.058
  195   2HB   CYS  28          1HB       CYS  28   1.015   0.964   0.613
  196    H    ALA  29           H        ALA  29  -2.111  -0.198   0.244
  197    HA   ALA  29           HA       ALA  29  -3.008   1.123  -2.296
  198   1HB   ALA  29          1HB       ALA  29  -4.435  -0.427  -0.113
  199   2HB   ALA  29          2HB       ALA  29  -4.199  -0.920  -1.790
  200   3HB   ALA  29          3HB       ALA  29  -5.282   0.418  -1.409
  201    H    TRP  30           H        TRP  30  -3.193   3.322  -2.083
  202    HA   TRP  30           HA       TRP  30  -3.114   4.700   0.452
  203   1HB   TRP  30          2HB       TRP  30  -2.313   5.551  -1.764
  204   2HB   TRP  30          1HB       TRP  30  -3.993   5.663  -2.292
  205    HD1  TRP  30           HD       TRP  30  -5.548   7.480  -1.082
  206    HE1  TRP  30           1HE      TRP  30  -4.962   9.655   0.169
  207    HE3  TRP  30           3HE      TRP  30  -0.566   6.708  -0.259
  208    HZ2  TRP  30           2HZ      TRP  30  -2.678  10.905   1.359
  209    HZ3  TRP  30           3HZ      TRP  30   0.790   8.405   0.933
  210    HH2  TRP  30           HH       TRP  30  -0.260  10.500   1.743
  211    H    ASP  31           H        ASP  31  -4.812   4.839   1.860
  212    HA   ASP  31           HA       ASP  31  -7.604   4.764   0.756
  213   1HB   ASP  31          2HB       ASP  31  -6.242   3.634   3.188
  214   2HB   ASP  31          1HB       ASP  31  -7.967   3.996   3.267
  215    H    GLY  32           H        GLY  32  -6.829   7.232   0.574
  216   1HA   GLY  32          2HA       GLY  32  -8.046   8.619   2.891
  217   2HA   GLY  32          1HA       GLY  32  -6.408   9.100   2.448
  218    H    THR  33           H        THR  33  -8.721   8.093   0.008
  219    HA   THR  33           HA       THR  33  -9.264  10.918  -0.763
  220    HB   THR  33           HB       THR  33  -7.968   8.757  -2.452
  221    HG1  THR  33           1HG      THR  33  -6.242   9.734  -1.836
  222   1HG2  THR  33          1HG2      THR  33  -8.163  10.144  -4.335
  223   2HG2  THR  33          2HG2      THR  33  -8.542  11.566  -3.363
  224   3HG2  THR  33          3HG2      THR  33  -9.743  10.291  -3.565
  225    H    PHE  34           H        PHE  34  -9.746   7.521  -1.764
  226    HA   PHE  34           HA       PHE  34 -12.640   8.155  -2.245
  227   1HB   PHE  34          2HB       PHE  34 -12.530   6.659  -4.146
  228   2HB   PHE  34          1HB       PHE  34 -11.178   7.781  -4.271
  229    HD1  PHE  34           1HD      PHE  34  -8.869   7.038  -3.800
  230    HD2  PHE  34           2HD      PHE  34 -12.178   4.300  -3.657
  231    HE1  PHE  34           1HE      PHE  34  -7.290   5.125  -3.837
  232    HE2  PHE  34           2HE      PHE  34 -10.598   2.390  -3.693
  233    HZ   PHE  34           HZ       PHE  34  -8.154   2.802  -3.782
  Start of MODEL   19
    1   1H    GLU   1          1HT       GLU   1  13.233   4.372   4.743
    2   2H    GLU   1          2HT       GLU   1  12.587   2.834   4.418
    3   3H    GLU   1          3HT       GLU   1  11.868   3.830   5.591
    4    HA   GLU   1           HA       GLU   1  11.258   5.444   3.858
    5   1HB   GLU   1          2HB       GLU   1  13.311   4.162   2.547
    6   2HB   GLU   1          1HB       GLU   1  11.899   3.487   1.737
    7   1HG   GLU   1          2HG       GLU   1  11.615   5.395   0.582
    8   2HG   GLU   1          1HG       GLU   1  11.497   6.310   2.085
    9    H    CYS   2           H        CYS   2   9.077   5.151   4.142
   10    HA   CYS   2           HA       CYS   2   7.842   2.502   4.178
   11   1HB   CYS   2          2HB       CYS   2   5.815   3.809   4.644
   12   2HB   CYS   2          1HB       CYS   2   7.159   4.434   5.597
   13    H    ARG   3           H        ARG   3   6.269   1.729   2.651
   14    HA   ARG   3           HA       ARG   3   6.802   2.515  -0.130
   15   1HB   ARG   3          2HB       ARG   3   6.102   0.204   1.253
   16   2HB   ARG   3          1HB       ARG   3   4.629   0.623   0.382
   17   1HG   ARG   3          2HG       ARG   3   5.761  -0.652  -1.212
   18   2HG   ARG   3          1HG       ARG   3   6.260   0.984  -1.646
   19   1HD   ARG   3          2HD       ARG   3   8.143   0.315   0.255
   20   2HD   ARG   3          1HD       ARG   3   7.880  -1.231  -0.576
   21    HE   ARG   3           HE       ARG   3   8.677   1.309  -1.935
   22   1HH1  ARG   3          1HH1      ARG   3  10.671  -0.847  -1.856
   23   2HH1  ARG   3          2HH1      ARG   3  10.408  -1.690  -3.347
   24   1HH2  ARG   3          1HH2      ARG   3   7.258  -0.316  -3.870
   25   2HH2  ARG   3          2HH2      ARG   3   8.468  -1.388  -4.490
   26    H    LYS   4           H        LYS   4   5.393   3.603  -1.485
   27    HA   LYS   4           HA       LYS   4   2.986   4.851  -0.224
   28   1HB   LYS   4          2HB       LYS   4   5.131   5.872  -1.605
   29   2HB   LYS   4          1HB       LYS   4   3.931   5.717  -2.888
   30   1HG   LYS   4          2HG       LYS   4   2.443   6.767  -0.812
   31   2HG   LYS   4          1HG       LYS   4   4.000   7.572  -0.610
   32   1HD   LYS   4          2HD       LYS   4   3.185   7.448  -3.414
   33   2HD   LYS   4          1HD       LYS   4   2.005   8.298  -2.416
   34   1HE   LYS   4          2HE       LYS   4   3.690   9.839  -1.605
   35   2HE   LYS   4          1HE       LYS   4   4.983   8.904  -2.382
   36   1HZ   LYS   4          1HZ       LYS   4   2.696  10.173  -3.799
   37   2HZ   LYS   4          2HZ       LYS   4   3.959   9.298  -4.526
   38   3HZ   LYS   4          3HZ       LYS   4   4.277  10.783  -3.764
   39    H    MET   5           H        MET   5   1.551   5.497  -2.486
   40    HA   MET   5           HA       MET   5  -0.103   3.313  -3.047
   41   1HB   MET   5          2HB       MET   5   0.246   5.994  -3.867
   42   2HB   MET   5          1HB       MET   5   0.186   5.052  -5.355
   43   1HG   MET   5          2HG       MET   5  -1.825   4.056  -3.569
   44   2HG   MET   5          1HG       MET   5  -1.987   5.808  -3.679
   45   1HE   MET   5          1HE       MET   5  -4.530   3.782  -5.835
   46   2HE   MET   5          2HE       MET   5  -3.725   3.511  -4.291
   47   3HE   MET   5          3HE       MET   5  -3.269   2.550  -5.695
   48    H    PHE   6           H        PHE   6  -0.167   1.728  -4.703
   49    HA   PHE   6           HA       PHE   6   0.756   0.143  -6.192
   50   1HB   PHE   6          2HB       PHE   6   2.072   2.703  -7.168
   51   2HB   PHE   6          1HB       PHE   6   1.970   1.208  -8.093
   52    HD1  PHE   6           1HD      PHE   6  -0.788   0.298  -7.415
   53    HD2  PHE   6           2HD      PHE   6   0.713   4.212  -8.361
   54    HE1  PHE   6           1HE      PHE   6  -3.031   0.962  -8.230
   55    HE2  PHE   6           2HE      PHE   6  -1.531   4.875  -9.175
   56    HZ   PHE   6           HZ       PHE   6  -3.404   3.251  -9.109
   57    H    GLY   7           H        GLY   7   2.176   0.587  -3.643
   58   1HA   GLY   7          2HA       GLY   7   5.016   0.145  -4.457
   59   2HA   GLY   7          1HA       GLY   7   4.493   0.646  -2.846
   60    H    GLY   8           H        GLY   8   5.475  -1.992  -4.665
   61   1HA   GLY   8          2HA       GLY   8   3.900  -4.135  -3.698
   62   2HA   GLY   8          1HA       GLY   8   5.591  -4.281  -4.173
   63    H    CYS   9           H        CYS   9   3.792  -5.170  -1.754
   64    HA   CYS   9           HA       CYS   9   5.942  -4.855   0.262
   65   1HB   CYS   9          2HB       CYS   9   4.246  -3.985   1.908
   66   2HB   CYS   9          1HB       CYS   9   4.563  -2.872   0.578
   67    H    SER  10           H        SER  10   4.791  -5.946   2.446
   68    HA   SER  10           HA       SER  10   3.420  -8.454   1.540
   69   1HB   SER  10          2HB       SER  10   6.018  -8.441   2.004
   70   2HB   SER  10          1HB       SER  10   5.520  -8.451   3.695
   71    HG   SER  10           HG       SER  10   5.224 -10.507   3.416
   72    H    VAL  11           H        VAL  11   4.461  -6.692   4.497
   73    HA   VAL  11           HA       VAL  11   1.957  -7.558   5.863
   74    HB   VAL  11           HB       VAL  11   3.125  -6.793   7.886
   75   1HG1  VAL  11          1HG1      VAL  11   4.583  -8.567   7.984
   76   2HG1  VAL  11          2HG1      VAL  11   5.326  -8.183   6.430
   77   3HG1  VAL  11          3HG1      VAL  11   3.759  -8.989   6.483
   78   1HG2  VAL  11          1HG2      VAL  11   4.463  -4.977   7.555
   79   2HG2  VAL  11          2HG2      VAL  11   4.801  -5.412   5.880
   80   3HG2  VAL  11          3HG2      VAL  11   5.704  -6.174   7.185
   81    H    ASP  12           H        ASP  12   0.535  -5.961   6.805
   82    HA   ASP  12           HA       ASP  12  -0.014  -3.672   5.251
   83   1HB   ASP  12          2HB       ASP  12  -0.801  -4.727   7.938
   84   2HB   ASP  12          1HB       ASP  12  -1.304  -3.095   7.498
   85    H    SER  13           H        SER  13   2.232  -4.064   7.911
   86    HA   SER  13           HA       SER  13   2.464  -1.170   8.435
   87   1HB   SER  13          2HB       SER  13   3.471  -3.747   9.519
   88   2HB   SER  13          1HB       SER  13   4.523  -2.353   9.751
   89    HG   SER  13           HG       SER  13   2.068  -2.946  10.855
   90    H    ASP  14           H        ASP  14   3.396  -2.819   5.807
   91    HA   ASP  14           HA       ASP  14   6.227  -1.985   5.666
   92   1HB   ASP  14          2HB       ASP  14   5.076  -4.141   4.770
   93   2HB   ASP  14          1HB       ASP  14   4.514  -3.115   3.453
   94    H    CYS  15           H        CYS  15   3.172  -0.562   5.018
   95    HA   CYS  15           HA       CYS  15   4.347   1.284   2.967
   96   1HB   CYS  15          2HB       CYS  15   1.429   0.939   3.681
   97   2HB   CYS  15          1HB       CYS  15   2.118   1.563   2.184
   98    H    CYS  16           H        CYS  16   3.284   3.564   3.149
   99    HA   CYS  16           HA       CYS  16   3.816   4.612   5.843
  100   1HB   CYS  16          2HB       CYS  16   3.787   5.503   3.121
  101   2HB   CYS  16          1HB       CYS  16   2.694   6.539   4.037
  102    H    ALA  17           H        ALA  17   2.003   6.603   6.239
  103    HA   ALA  17           HA       ALA  17  -0.310   5.304   7.263
  104   1HB   ALA  17          1HB       ALA  17   0.470   7.359   8.210
  105   2HB   ALA  17          2HB       ALA  17  -1.088   7.733   7.473
  106   3HB   ALA  17          3HB       ALA  17   0.405   8.177   6.650
  107    H    HIS  18           H        HIS  18  -2.545   5.532   6.542
  108    HA   HIS  18           HA       HIS  18  -4.284   5.533   4.954
  109   1HB   HIS  18          2HB       HIS  18  -2.392   7.247   3.313
  110   2HB   HIS  18          1HB       HIS  18  -4.151   7.213   3.222
  111    HD1  HIS  18           1HD      HIS  18  -5.286   7.774   5.767
  112    HD2  HIS  18           2HD      HIS  18  -1.528   9.340   4.873
  113    HE1  HIS  18           1HE      HIS  18  -4.908   9.694   7.375
  114    H    LEU  19           H        LEU  19  -1.622   3.779   4.667
  115    HA   LEU  19           HA       LEU  19  -2.369   2.698   1.971
  116   1HB   LEU  19          2HB       LEU  19   0.271   3.425   3.200
  117   2HB   LEU  19          1HB       LEU  19   0.211   2.093   2.048
  118    HG   LEU  19           HG       LEU  19  -1.256   4.511   1.220
  119   1HD1  LEU  19          1HD1      LEU  19   1.728   4.494   1.677
  120   2HD1  LEU  19          2HD1      LEU  19   0.557   5.729   2.140
  121   3HD1  LEU  19          3HD1      LEU  19   0.993   5.517   0.445
  122   1HD2  LEU  19          1HD2      LEU  19  -0.404   3.899  -0.925
  123   2HD2  LEU  19          2HD2      LEU  19  -0.788   2.381  -0.114
  124   3HD2  LEU  19          3HD2      LEU  19   0.886   2.931  -0.212
  125    H    GLY  20           H        GLY  20  -3.209   0.684   2.301
  126   1HA   GLY  20          2HA       GLY  20  -2.120  -0.958   4.552
  127   2HA   GLY  20          1HA       GLY  20  -3.749  -1.132   3.898
  128    H    CYS  21           H        CYS  21  -0.759  -2.542   3.876
  129    HA   CYS  21           HA       CYS  21  -0.310  -3.250   1.145
  130   1HB   CYS  21          2HB       CYS  21   1.172  -3.528   3.221
  131   2HB   CYS  21          1HB       CYS  21   0.229  -4.975   3.575
  132    H    LYS  22           H        LYS  22  -1.723  -4.340  -0.153
  133    HA   LYS  22           HA       LYS  22  -3.964  -5.879   0.884
  134   1HB   LYS  22          2HB       LYS  22  -2.746  -5.268  -1.807
  135   2HB   LYS  22          1HB       LYS  22  -4.075  -6.418  -1.672
  136   1HG   LYS  22          2HG       LYS  22  -4.429  -3.840  -0.238
  137   2HG   LYS  22          1HG       LYS  22  -4.463  -3.762  -1.999
  138   1HD   LYS  22          2HD       LYS  22  -6.607  -4.449  -1.899
  139   2HD   LYS  22          1HD       LYS  22  -6.005  -6.016  -1.357
  140   1HE   LYS  22          2HE       LYS  22  -6.188  -5.358   0.973
  141   2HE   LYS  22          1HE       LYS  22  -6.594  -3.692   0.513
  142   1HZ   LYS  22          1HZ       LYS  22  -8.526  -4.544  -0.689
  143   2HZ   LYS  22          2HZ       LYS  22  -8.603  -4.956   0.959
  144   3HZ   LYS  22          3HZ       LYS  22  -8.155  -6.124  -0.192
  145    HA   PRO  23           HA       PRO  23  -1.690  -9.685   1.198
  146   1HB   PRO  23          2HB       PRO  23  -3.819 -11.326   1.713
  147   2HB   PRO  23          1HB       PRO  23  -3.113 -10.243   2.928
  148   1HG   PRO  23          2HG       PRO  23  -5.590  -9.927   1.326
  149   2HG   PRO  23          1HG       PRO  23  -5.246  -9.432   2.990
  150   1HD   PRO  23          2HD       PRO  23  -5.258  -7.734   0.821
  151   2HD   PRO  23          1HD       PRO  23  -4.397  -7.424   2.344
  152    H    THR  24           H        THR  24  -4.320  -9.107  -1.053
  153    HA   THR  24           HA       THR  24  -4.036 -11.623  -2.512
  154    HB   THR  24           HB       THR  24  -5.522 -10.298  -4.140
  155    HG1  THR  24           1HG      THR  24  -6.067  -8.298  -3.601
  156   1HG2  THR  24          1HG2      THR  24  -7.449 -10.590  -2.764
  157   2HG2  THR  24          2HG2      THR  24  -6.520 -10.326  -1.287
  158   3HG2  THR  24          3HG2      THR  24  -6.288 -11.802  -2.222
  159    H    LEU  25           H        LEU  25  -3.442  -8.222  -3.561
  160    HA   LEU  25           HA       LEU  25  -1.631  -9.169  -5.690
  161   1HB   LEU  25          2HB       LEU  25  -3.415  -7.175  -5.531
  162   2HB   LEU  25          1HB       LEU  25  -1.993  -6.288  -4.988
  163    HG   LEU  25           HG       LEU  25  -1.474  -7.976  -7.335
  164   1HD1  LEU  25          1HD1      LEU  25  -3.619  -5.858  -7.384
  165   2HD1  LEU  25          2HD1      LEU  25  -3.634  -7.461  -8.120
  166   3HD1  LEU  25          3HD1      LEU  25  -2.641  -6.180  -8.815
  167   1HD2  LEU  25          1HD2      LEU  25  -1.049  -5.172  -7.751
  168   2HD2  LEU  25          2HD2      LEU  25   0.158  -6.428  -7.472
  169   3HD2  LEU  25          3HD2      LEU  25  -0.548  -5.564  -6.106
  170    H    LYS  26           H        LYS  26  -1.309  -8.070  -2.416
  171    HA   LYS  26           HA       LYS  26   0.598  -7.774  -1.071
  172   1HB   LYS  26          2HB       LYS  26   1.276  -9.569  -3.106
  173   2HB   LYS  26          1HB       LYS  26   2.577  -8.380  -3.136
  174   1HG   LYS  26          2HG       LYS  26   3.477  -9.377  -1.332
  175   2HG   LYS  26          1HG       LYS  26   2.052  -8.912  -0.403
  176   1HD   LYS  26          2HD       LYS  26   1.015 -10.975  -0.697
  177   2HD   LYS  26          1HD       LYS  26   1.911 -11.330  -2.175
  178   1HE   LYS  26          2HE       LYS  26   3.681 -12.227  -1.033
  179   2HE   LYS  26          1HE       LYS  26   3.582 -11.014   0.260
  180   1HZ   LYS  26          1HZ       LYS  26   2.879 -13.218   1.031
  181   2HZ   LYS  26          2HZ       LYS  26   1.656 -13.247  -0.149
  182   3HZ   LYS  26          3HZ       LYS  26   1.607 -12.099   1.105
  183    H    TYR  27           H        TYR  27  -0.427  -5.475  -2.066
  184    HA   TYR  27           HA       TYR  27   2.003  -3.821  -2.520
  185   1HB   TYR  27          2HB       TYR  27   1.303  -2.989  -4.585
  186   2HB   TYR  27          1HB       TYR  27   0.725  -4.649  -4.686
  187    HD1  TYR  27           1HD      TYR  27  -0.189  -1.239  -4.980
  188    HD2  TYR  27           2HD      TYR  27  -1.719  -5.059  -3.751
  189    HE1  TYR  27           1HE      TYR  27  -2.504  -0.408  -5.285
  190    HE2  TYR  27           2HE      TYR  27  -4.036  -4.229  -4.054
  191    HH   TYR  27           HH       TYR  27  -4.902  -1.184  -4.148
  192    H    CYS  28           H        CYS  28   1.649  -1.555  -1.959
  193    HA   CYS  28           HA       CYS  28  -0.289  -1.183   0.195
  194   1HB   CYS  28          2HB       CYS  28   1.448   0.871  -1.209
  195   2HB   CYS  28          1HB       CYS  28   0.789   0.976   0.422
  196    H    ALA  29           H        ALA  29  -2.259  -0.170   0.083
  197    HA   ALA  29           HA       ALA  29  -3.047   1.055  -2.544
  198   1HB   ALA  29          1HB       ALA  29  -5.375   0.239  -1.716
  199   2HB   ALA  29          2HB       ALA  29  -4.462  -0.741  -0.570
  200   3HB   ALA  29          3HB       ALA  29  -4.242  -0.977  -2.304
  201    H    TRP  30           H        TRP  30  -3.274   3.243  -2.272
  202    HA   TRP  30           HA       TRP  30  -3.566   4.510   0.316
  203   1HB   TRP  30          2HB       TRP  30  -2.483   5.425  -1.796
  204   2HB   TRP  30          1HB       TRP  30  -4.107   5.659  -2.439
  205    HD1  TRP  30           HD       TRP  30  -5.701   7.408  -1.132
  206    HE1  TRP  30           1HE      TRP  30  -5.113   9.473   0.296
  207    HE3  TRP  30           3HE      TRP  30  -0.780   6.446  -0.181
  208    HZ2  TRP  30           2HZ      TRP  30  -2.851  10.571   1.660
  209    HZ3  TRP  30           3HZ      TRP  30   0.568   8.014   1.185
  210    HH2  TRP  30           HH       TRP  30  -0.460  10.074   2.105
  211    H    ASP  31           H        ASP  31  -5.472   4.127   1.416
  212    HA   ASP  31           HA       ASP  31  -8.053   4.307  -0.092
  213   1HB   ASP  31          2HB       ASP  31  -7.006   2.386   1.598
  214   2HB   ASP  31          1HB       ASP  31  -8.049   3.306   2.682
  215    H    GLY  32           H        GLY  32  -7.189   6.787   0.263
  216   1HA   GLY  32          2HA       GLY  32  -8.727   7.794   2.618
  217   2HA   GLY  32          1HA       GLY  32  -7.132   8.457   2.256
  218    H    THR  33           H        THR  33  -7.078   8.863  -0.387
  219    HA   THR  33           HA       THR  33  -8.840  11.124  -0.798
  220    HB   THR  33           HB       THR  33  -7.110   9.626  -2.791
  221    HG1  THR  33           1HG      THR  33  -6.341  11.825  -1.184
  222   1HG2  THR  33          1HG2      THR  33  -8.807  11.526  -3.438
  223   2HG2  THR  33          2HG2      THR  33  -7.170  11.561  -4.095
  224   3HG2  THR  33          3HG2      THR  33  -7.593  12.591  -2.727
  225    H    PHE  34           H        PHE  34  -8.867   7.747  -1.873
  226    HA   PHE  34           HA       PHE  34 -11.039   8.148  -3.802
  227   1HB   PHE  34          2HB       PHE  34  -9.975   5.600  -2.537
  228   2HB   PHE  34          1HB       PHE  34 -10.870   5.729  -4.047
  229    HD1  PHE  34           1HD      PHE  34  -7.846   4.822  -3.132
  230    HD2  PHE  34           2HD      PHE  34  -9.585   8.071  -5.342
  231    HE1  PHE  34           1HE      PHE  34  -5.710   5.135  -4.349
  232    HE2  PHE  34           2HE      PHE  34  -7.447   8.383  -6.560
  233    HZ   PHE  34           HZ       PHE  34  -5.511   6.914  -6.067
  Start of MODEL   20
    1   1H    GLU   1          1HT       GLU   1  13.706   5.877   2.861
    2   2H    GLU   1          2HT       GLU   1  12.998   4.334   2.945
    3   3H    GLU   1          3HT       GLU   1  12.899   5.392   4.271
    4    HA   GLU   1           HA       GLU   1  11.332   6.761   3.257
    5   1HB   GLU   1          2HB       GLU   1  12.634   7.086   1.229
    6   2HB   GLU   1          1HB       GLU   1  12.337   5.422   0.725
    7   1HG   GLU   1          2HG       GLU   1  10.092   5.839   0.206
    8   2HG   GLU   1          1HG       GLU   1  10.014   7.260   1.247
    9    H    CYS   2           H        CYS   2   9.152   6.182   3.262
   10    HA   CYS   2           HA       CYS   2   8.492   3.342   3.604
   11   1HB   CYS   2          2HB       CYS   2   6.253   4.288   4.104
   12   2HB   CYS   2          1HB       CYS   2   7.517   5.148   4.982
   13    H    ARG   3           H        ARG   3   6.612   2.388   2.358
   14    HA   ARG   3           HA       ARG   3   7.031   2.677  -0.517
   15   1HB   ARG   3          2HB       ARG   3   5.511   0.969   1.385
   16   2HB   ARG   3          1HB       ARG   3   4.862   1.070  -0.252
   17   1HG   ARG   3          2HG       ARG   3   6.410  -0.426  -0.904
   18   2HG   ARG   3          1HG       ARG   3   7.655   0.772  -0.548
   19   1HD   ARG   3          2HD       ARG   3   7.396  -0.044   1.929
   20   2HD   ARG   3          1HD       ARG   3   6.658  -1.480   1.191
   21    HE   ARG   3           HE       ARG   3   9.453  -0.557   0.738
   22   1HH1  ARG   3          1HH2      ARG   3   8.513  -3.293   1.809
   23   2HH1  ARG   3          2HH2      ARG   3   8.798  -4.292   0.422
   24   1HH2  ARG   3          1HH1      ARG   3   9.116  -1.616  -1.772
   25   2HH2  ARG   3          2HH1      ARG   3   9.140  -3.340  -1.610
   26    H    LYS   4           H        LYS   4   5.385   3.318  -2.057
   27    HA   LYS   4           HA       LYS   4   3.386   5.254  -0.934
   28   1HB   LYS   4          2HB       LYS   4   5.404   5.325  -3.016
   29   2HB   LYS   4          1HB       LYS   4   3.818   5.703  -3.688
   30   1HG   LYS   4          2HG       LYS   4   4.079   7.790  -2.873
   31   2HG   LYS   4          1HG       LYS   4   3.894   7.099  -1.262
   32   1HD   LYS   4          2HD       LYS   4   5.980   7.916  -0.891
   33   2HD   LYS   4          1HD       LYS   4   6.521   6.516  -1.816
   34   1HE   LYS   4          2HE       LYS   4   5.880   8.295  -3.825
   35   2HE   LYS   4          1HE       LYS   4   6.538   9.365  -2.571
   36   1HZ   LYS   4          1HZ       LYS   4   8.336   8.477  -3.890
   37   2HZ   LYS   4          2HZ       LYS   4   7.808   6.886  -3.617
   38   3HZ   LYS   4          3HZ       LYS   4   8.413   7.816  -2.330
   39    H    MET   5           H        MET   5   1.754   5.605  -3.084
   40    HA   MET   5           HA       MET   5  -0.103   3.477  -2.997
   41   1HB   MET   5          2HB       MET   5  -0.564   5.804  -3.684
   42   2HB   MET   5          1HB       MET   5   0.388   5.562  -5.149
   43   1HG   MET   5          2HG       MET   5  -1.206   3.596  -5.647
   44   2HG   MET   5          1HG       MET   5  -2.246   4.287  -4.402
   45   1HE   MET   5          1HE       MET   5  -1.654   4.078  -8.022
   46   2HE   MET   5          2HE       MET   5  -3.072   5.047  -8.418
   47   3HE   MET   5          3HE       MET   5  -3.196   3.768  -7.213
   48    H    PHE   6           H        PHE   6  -0.129   1.507  -3.960
   49    HA   PHE   6           HA       PHE   6   0.487  -0.314  -5.327
   50   1HB   PHE   6          2HB       PHE   6   0.561   2.073  -7.195
   51   2HB   PHE   6          1HB       PHE   6   0.705   0.416  -7.768
   52    HD1  PHE   6           1HD      PHE   6  -1.418   1.469  -9.047
   53    HD2  PHE   6           2HD      PHE   6  -1.348   0.323  -4.905
   54    HE1  PHE   6           1HE      PHE   6  -3.888   1.262  -9.059
   55    HE2  PHE   6           2HE      PHE   6  -3.816   0.119  -4.921
   56    HZ   PHE   6           HZ       PHE   6  -5.087   0.588  -6.996
   57    H    GLY   7           H        GLY   7   2.588  -0.062  -3.839
   58   1HA   GLY   7          2HA       GLY   7   4.947   0.335  -5.642
   59   2HA   GLY   7          1HA       GLY   7   4.993   0.632  -3.903
   60    H    GLY   8           H        GLY   8   4.260  -1.401  -2.580
   61   1HA   GLY   8          2HA       GLY   8   4.275  -4.026  -3.292
   62   2HA   GLY   8          1HA       GLY   8   5.988  -3.623  -3.437
   63    H    CYS   9           H        CYS   9   3.927  -5.021  -1.350
   64    HA   CYS   9           HA       CYS   9   5.648  -4.397   0.978
   65   1HB   CYS   9          2HB       CYS   9   3.612  -3.783   2.324
   66   2HB   CYS   9          1HB       CYS   9   3.968  -2.639   1.031
   67    H    SER  10           H        SER  10   4.364  -5.599   2.980
   68    HA   SER  10           HA       SER  10   3.369  -8.259   2.055
   69   1HB   SER  10          2HB       SER  10   5.862  -8.266   2.407
   70   2HB   SER  10          1HB       SER  10   5.584  -7.800   4.082
   71    HG   SER  10           HG       SER  10   4.965 -10.200   2.748
   72    H    VAL  11           H        VAL  11   4.099  -6.219   4.918
   73    HA   VAL  11           HA       VAL  11   1.765  -7.406   6.351
   74    HB   VAL  11           HB       VAL  11   3.883  -5.473   7.346
   75   1HG1  VAL  11          1HG1      VAL  11   2.127  -5.575   8.918
   76   2HG1  VAL  11          2HG1      VAL  11   3.286  -6.761   9.516
   77   3HG1  VAL  11          3HG1      VAL  11   1.855  -7.293   8.635
   78   1HG2  VAL  11          1HG2      VAL  11   4.865  -7.680   8.316
   79   2HG2  VAL  11          2HG2      VAL  11   5.179  -7.312   6.620
   80   3HG2  VAL  11          3HG2      VAL  11   3.929  -8.477   7.051
   81    H    ASP  12           H        ASP  12   0.363  -5.806   7.552
   82    HA   ASP  12           HA       ASP  12  -0.744  -3.831   5.838
   83   1HB   ASP  12          2HB       ASP  12  -1.044  -4.790   8.626
   84   2HB   ASP  12          1HB       ASP  12  -1.661  -3.168   8.309
   85    H    SER  13           H        SER  13   1.434  -3.528   8.640
   86    HA   SER  13           HA       SER  13   1.625  -0.595   8.280
   87   1HB   SER  13          2HB       SER  13   2.992  -0.804  10.357
   88   2HB   SER  13          1HB       SER  13   1.423  -1.586  10.513
   89    HG   SER  13           HG       SER  13   2.430  -3.400  10.801
   90    H    ASP  14           H        ASP  14   2.635  -1.925   6.012
   91    HA   ASP  14           HA       ASP  14   5.614  -1.777   6.328
   92   1HB   ASP  14          2HB       ASP  14   4.350  -3.874   5.510
   93   2HB   ASP  14          1HB       ASP  14   4.036  -2.961   4.035
   94    H    CYS  15           H        CYS  15   3.192   0.270   5.514
   95    HA   CYS  15           HA       CYS  15   4.843   1.670   3.447
   96   1HB   CYS  15          2HB       CYS  15   1.859   1.127   3.438
   97   2HB   CYS  15          1HB       CYS  15   2.692   2.155   2.272
   98    H    CYS  16           H        CYS  16   3.792   3.995   3.155
   99    HA   CYS  16           HA       CYS  16   3.864   5.323   5.736
  100   1HB   CYS  16          2HB       CYS  16   3.813   5.955   2.884
  101   2HB   CYS  16          1HB       CYS  16   2.829   7.083   3.817
  102    H    ALA  17           H        ALA  17   1.912   7.163   5.854
  103    HA   ALA  17           HA       ALA  17  -0.385   5.799   6.800
  104   1HB   ALA  17          1HB       ALA  17   0.180   8.654   5.984
  105   2HB   ALA  17          2HB       ALA  17   0.198   7.976   7.612
  106   3HB   ALA  17          3HB       ALA  17  -1.331   8.171   6.754
  107    H    HIS  18           H        HIS  18  -2.548   5.752   5.920
  108    HA   HIS  18           HA       HIS  18  -4.169   5.466   4.246
  109   1HB   HIS  18          2HB       HIS  18  -2.331   7.494   2.935
  110   2HB   HIS  18          1HB       HIS  18  -3.889   7.022   2.267
  111    HD1  HIS  18           1HD      HIS  18  -3.915   9.857   2.892
  112    HD2  HIS  18           2HD      HIS  18  -4.579   7.065   5.917
  113    HE1  HIS  18           1HE      HIS  18  -5.117  11.086   4.751
  114    H    LEU  19           H        LEU  19  -1.898   3.594   4.348
  115    HA   LEU  19           HA       LEU  19  -2.025   2.624   1.518
  116   1HB   LEU  19          2HB       LEU  19   0.379   3.180   3.249
  117   2HB   LEU  19          1HB       LEU  19   0.463   1.917   2.021
  118    HG   LEU  19           HG       LEU  19  -0.691   4.519   1.167
  119   1HD1  LEU  19          1HD1      LEU  19   1.911   4.318   2.433
  120   2HD1  LEU  19          2HD1      LEU  19   1.075   5.750   1.834
  121   3HD1  LEU  19          3HD1      LEU  19   2.072   4.790   0.741
  122   1HD2  LEU  19          1HD2      LEU  19  -0.406   2.537  -0.327
  123   2HD2  LEU  19          2HD2      LEU  19   1.337   2.637  -0.076
  124   3HD2  LEU  19          3HD2      LEU  19   0.487   3.948  -0.894
  125    H    GLY  20           H        GLY  20  -2.974   0.627   1.633
  126   1HA   GLY  20          2HA       GLY  20  -2.349  -1.092   4.008
  127   2HA   GLY  20          1HA       GLY  20  -3.919  -1.096   3.205
  128    H    CYS  21           H        CYS  21  -1.272  -2.937   3.514
  129    HA   CYS  21           HA       CYS  21  -0.500  -3.648   0.848
  130   1HB   CYS  21          2HB       CYS  21   0.367  -4.213   3.322
  131   2HB   CYS  21          1HB       CYS  21  -0.578  -5.675   3.048
  132    H    LYS  22           H        LYS  22  -1.356  -5.154  -0.600
  133    HA   LYS  22           HA       LYS  22  -4.162  -5.945  -0.211
  134   1HB   LYS  22          2HB       LYS  22  -2.113  -6.184  -2.427
  135   2HB   LYS  22          1HB       LYS  22  -3.737  -6.855  -2.576
  136   1HG   LYS  22          2HG       LYS  22  -3.088  -3.948  -1.994
  137   2HG   LYS  22          1HG       LYS  22  -3.613  -4.585  -3.553
  138   1HD   LYS  22          2HD       LYS  22  -5.560  -5.568  -1.901
  139   2HD   LYS  22          1HD       LYS  22  -5.190  -4.032  -1.116
  140   1HE   LYS  22          2HE       LYS  22  -5.460  -2.899  -3.356
  141   2HE   LYS  22          1HE       LYS  22  -6.034  -4.447  -4.005
  142   1HZ   LYS  22          1HZ       LYS  22  -7.906  -3.163  -3.218
  143   2HZ   LYS  22          2HZ       LYS  22  -7.185  -2.971  -1.692
  144   3HZ   LYS  22          3HZ       LYS  22  -7.689  -4.509  -2.208
  145    HA   PRO  23           HA       PRO  23  -3.222 -10.023   1.219
  146   1HB   PRO  23          2HB       PRO  23  -5.646 -11.196   0.722
  147   2HB   PRO  23          1HB       PRO  23  -5.367 -10.075   2.068
  148   1HG   PRO  23          2HG       PRO  23  -6.681  -9.597  -0.549
  149   2HG   PRO  23          1HG       PRO  23  -7.054  -8.924   1.043
  150   1HD   PRO  23          2HD       PRO  23  -5.692  -7.582  -0.934
  151   2HD   PRO  23          1HD       PRO  23  -5.581  -7.207   0.799
  152    H    THR  24           H        THR  24  -5.223 -10.101  -1.786
  153    HA   THR  24           HA       THR  24  -4.062 -12.554  -2.766
  154    HB   THR  24           HB       THR  24  -5.143 -11.643  -4.943
  155    HG1  THR  24           1HG      THR  24  -5.994  -9.725  -4.864
  156   1HG2  THR  24          1HG2      THR  24  -6.935 -12.801  -4.232
  157   2HG2  THR  24          2HG2      THR  24  -7.341 -11.550  -3.056
  158   3HG2  THR  24          3HG2      THR  24  -6.203 -12.828  -2.628
  159    H    LEU  25           H        LEU  25  -3.426  -9.109  -3.466
  160    HA   LEU  25           HA       LEU  25  -1.165  -9.823  -5.251
  161   1HB   LEU  25          2HB       LEU  25  -2.421  -7.196  -4.378
  162   2HB   LEU  25          1HB       LEU  25  -1.166  -7.346  -5.607
  163    HG   LEU  25           HG       LEU  25  -3.372  -9.179  -6.118
  164   1HD1  LEU  25          1HD1      LEU  25  -3.976  -6.309  -5.537
  165   2HD1  LEU  25          2HD1      LEU  25  -4.982  -7.739  -5.303
  166   3HD1  LEU  25          3HD1      LEU  25  -4.780  -7.058  -6.917
  167   1HD2  LEU  25          1HD2      LEU  25  -3.213  -7.319  -8.178
  168   2HD2  LEU  25          2HD2      LEU  25  -2.302  -8.826  -8.084
  169   3HD2  LEU  25          3HD2      LEU  25  -1.581  -7.322  -7.511
  170    H    LYS  26           H        LYS  26   0.503  -7.555  -4.580
  171    HA   LYS  26           HA       LYS  26   1.223  -7.970  -1.724
  172   1HB   LYS  26          2HB       LYS  26   2.439  -9.275  -3.958
  173   2HB   LYS  26          1HB       LYS  26   3.610  -8.127  -3.309
  174   1HG   LYS  26          2HG       LYS  26   2.706  -9.165  -0.992
  175   2HG   LYS  26          1HG       LYS  26   2.436 -10.553  -2.046
  176   1HD   LYS  26          2HD       LYS  26   4.797 -10.412  -2.806
  177   2HD   LYS  26          1HD       LYS  26   5.058  -9.069  -1.692
  178   1HE   LYS  26          2HE       LYS  26   4.315 -10.608   0.190
  179   2HE   LYS  26          1HE       LYS  26   4.371 -11.939  -0.982
  180   1HZ   LYS  26          1HZ       LYS  26   6.609 -10.087  -0.340
  181   2HZ   LYS  26          2HZ       LYS  26   6.658 -11.322  -1.507
  182   3HZ   LYS  26          3HZ       LYS  26   6.499 -11.710   0.140
  183    H    TYR  27           H        TYR  27   0.154  -5.633  -2.677
  184    HA   TYR  27           HA       TYR  27   2.452  -3.762  -2.420
  185   1HB   TYR  27          2HB       TYR  27   1.744  -2.489  -4.384
  186   2HB   TYR  27          1HB       TYR  27   2.015  -4.163  -4.854
  187    HD1  TYR  27           1HD      TYR  27  -0.623  -1.690  -3.957
  188    HD2  TYR  27           2HD      TYR  27   0.252  -5.500  -5.736
  189    HE1  TYR  27           1HE      TYR  27  -2.947  -1.829  -4.803
  190    HE2  TYR  27           2HE      TYR  27  -2.073  -5.634  -6.583
  191    HH   TYR  27           HH       TYR  27  -4.495  -4.227  -5.539
  192    H    CYS  28           H        CYS  28   1.735  -1.599  -1.708
  193    HA   CYS  28           HA       CYS  28  -0.653  -1.752   0.001
  194   1HB   CYS  28          2HB       CYS  28   1.615   0.171  -0.470
  195   2HB   CYS  28          1HB       CYS  28   0.212   0.682   0.468
  196    H    ALA  29           H        ALA  29  -2.634  -0.981  -0.554
  197    HA   ALA  29           HA       ALA  29  -2.940   0.536  -3.093
  198   1HB   ALA  29          1HB       ALA  29  -4.281  -1.481  -2.718
  199   2HB   ALA  29          2HB       ALA  29  -5.342  -0.072  -2.721
  200   3HB   ALA  29          3HB       ALA  29  -4.881  -0.827  -1.195
  201    H    TRP  30           H        TRP  30  -2.539   2.713  -2.639
  202    HA   TRP  30           HA       TRP  30  -2.959   4.109  -0.242
  203   1HB   TRP  30          2HB       TRP  30  -1.774   4.829  -2.368
  204   2HB   TRP  30          1HB       TRP  30  -3.360   5.213  -3.034
  205    HD1  TRP  30           HD       TRP  30  -4.840   7.036  -1.558
  206    HE1  TRP  30           1HE      TRP  30  -4.015   9.116  -0.275
  207    HE3  TRP  30           3HE      TRP  30   0.109   5.880  -1.102
  208    HZ2  TRP  30           2HZ      TRP  30  -1.574  10.151   0.802
  209    HZ3  TRP  30           3HZ      TRP  30   1.662   7.426   0.052
  210    HH2  TRP  30           HH       TRP  30   0.829   9.558   1.004
  211    H    ASP  31           H        ASP  31  -4.817   4.491   0.880
  212    HA   ASP  31           HA       ASP  31  -7.272   5.291  -0.550
  213   1HB   ASP  31          2HB       ASP  31  -6.929   2.664  -0.224
  214   2HB   ASP  31          1HB       ASP  31  -7.540   3.025   1.392
  215    H    GLY  32           H        GLY  32  -6.369   7.203   0.808
  216   1HA   GLY  32          2HA       GLY  32  -6.685   7.069   3.702
  217   2HA   GLY  32          1HA       GLY  32  -6.417   8.536   2.756
  218    H    THR  33           H        THR  33  -8.372   9.166   1.345
  219    HA   THR  33           HA       THR  33 -10.888   8.807   2.945
  220    HB   THR  33           HB       THR  33  -9.870  11.075   1.196
  221    HG1  THR  33           1HG      THR  33  -9.417  12.046   3.058
  222   1HG2  THR  33          1HG2      THR  33 -12.496  10.600   2.588
  223   2HG2  THR  33          2HG2      THR  33 -12.199  11.213   0.961
  224   3HG2  THR  33          3HG2      THR  33 -11.895  12.242   2.360
  225    H    PHE  34           H        PHE  34  -9.402   8.244  -0.131
  226    HA   PHE  34           HA       PHE  34 -12.021   7.346  -1.236
  227   1HB   PHE  34          2HB       PHE  34 -11.414   8.480  -3.388
  228   2HB   PHE  34          1HB       PHE  34 -11.647   9.616  -2.062
  229    HD1  PHE  34           1HD      PHE  34  -9.204   8.080  -4.338
  230    HD2  PHE  34           2HD      PHE  34  -9.725  10.748  -1.010
  231    HE1  PHE  34           1HE      PHE  34  -6.907   8.952  -4.676
  232    HE2  PHE  34           2HE      PHE  34  -7.428  11.618  -1.348
  233    HZ   PHE  34           HZ       PHE  34  -6.019  10.720  -3.181