*HEADER    TOXIN                                   15-AUG-06   2I1T              
*TITLE     SOLUTION STRUCTURE OF JINGZHAOTOXIN-III, A NOVEL TOXIN                
*TITLE    2 INHIBITING BOTH NAV AND KV CHANNELS                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: JINGZHAOTOXIN-3;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: JINGZHAOTOXIN-III, JZTX-III                                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CHILOBRACHYS JINGZHAO;                          
*SOURCE   3 ORGANISM_COMMON: CHINESE SPIDER;                                     
*SOURCE   4 SECRETION: VENOM                                                     
*KEYWDS    JINGZHAOTOXIN-III, KV2.1 CHANNEL, NAV CHANNEL, CARDIAC                
*KEYWDS   2 MYOCYTES, SOLUTION STRUCTURE                                         
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Z.LIAO, K.PENG, S.LIANG                                               
*REVDAT   1   29-AUG-06 2I1T    0                                                


!G2
assign (reside 2 and name HN)(reside 2 and name HA#) 2.7 0.9 0.0
assign (reside 2 and name HN)(reside 1 and name HA) 2.7 0.9 0.0

!E3
assign (reside 3 and name HN)(reside 2 and name HA#) 2.7 0.9 1.0
assign (reside 3 and name HN)(reside 3 and name HA) 3.5 1.7 0.0
assign (reside 3 and name HN)(reside 3 and name HB#) 2.7 0.9 1.0
assign (reside 3 and name HN)(reside 3 and name HG#) 3.5 1.7 1.0
assign (reside 3 and name HN)(reside 4 and name HN) 5.0 3.2 0.0

assign (reside 3 and name HA)(reside 3 and name HB#) 2.7 0.9 1.0
assign (reside 3 and name HA)(reside 3 and name HG#) 3.5 1.7 1.0
assign (reside 3 and name HB#)(reside 3 and name HG#) 2.7 0.9 2.0
assign (reside 3 and name HA)(reside 17 and name HG#) 3.5 1.7 1.0

!C4
assign (reside 4 and name HN)(reside 3 and name HB#) 3.5 1.7 1.0
assign (reside 4 and name HN)(reside 4 and name HA) 3.5 1.7 0.0
assign (reside 4 and name HN)(reside 3 and name HA) 2.7 0.9 0.0
assign (reside 4 and name HN)(reside 3 and name HG#) 3.5 1.7 1.0
assign (reside 4 and name HN)(reside 4 and name HB#) 3.5 1.7 1.0

assign (reside 4 and name HA)(reside 17 and name HG#) 5.0 3.2 1.0
assign (reside 4 and name HA)(reside 17 and name HB#) 3.5 1.7 1.0
assign (reside 4 and name HA)(reside 4 and name HB#) 2.7 0.9 1.0
assign (reside 4 and name HA)(reside 19 and name HA) 3.5 1.7 0.0
assign (reside 4 and name HB#)(reside 19 and name HB#) 2.7 0.9 2.0

!G5
assign (reside 5 and name HN)(reside 6 and name HN) 5.0 3.2 0.0
assign (reside 5 and name HN)(reside 18 and name HA) 3.5 1.7 0.0
assign (reside 5 and name HN)(reside 4 and name HA) 2.7 0.9 0.0
assign (reside 5 and name HN)(reside 19 and name HB#) 5.0 3.2 1.0
assign (reside 5 and name HN)(reside 9 and name HB#) 5.0 3.2 1.0
assign (reside 5 and name HN)(reside 5 and name HA#) 2.7 0.9 1.0
assign (reside 5 and name HN)(reside 4 and name HB#) 2.7 0.9 1.0
assign (reside 5 and name HN)(reside 4 and name HN) 5.0 3.2 0.0

assign (reside 5 and name HA#)(reside 9 and name HB#) 3.5 1.7 2.0
assign (reside 5 and name HA#)(reside 6 and name HA#) 3.5 1.7 2.0

!G6
assign (reside 6 and name HN)(reside 5 and name HA#) 2.7 0.9 1.0
assign (reside 6 and name HN)(reside 6 and name HA#) 2.7 0.9 1.0
assign (reside 6 and name HN)(reside 9 and name HB#) 3.5 1.7 1.0

assign (reside 6 and name HA#)(reside 9 and name HB#) 5.0 3.2 2.0

!F7
assign (reside 7 and name HN)(reside 7 and name HB#) 2.7 0.9 1.0
assign (reside 7 and name HN)(reside 6 and name HN) 5.0 3.2 0.0
assign (reside 7 and name HN)(reside 7 and name HA) 3.5 1.7 0.0
assign (reside 7 and name HN)(reside 22 and name HE#) 3.5 1.7 2.4
assign (reside 7 and name HN)(reside 22 and name HD#) 5.0 3.2 2.4
assign (reside 7 and name HN)(reside 7 and name HD#) 3.5 1.7 2.4
assign (reside 7 and name HN)(reside 6 and name HA#) 2.7 0.9 1.0

assign (reside 7 and name HA)(reside 7 and name HB#) 2.7 0.9 1.0
assign (reside 7 and name HB#)(reside 33 and name HG#) 5.0 3.2 3.4

assign (reside 7 and name HD#)(reside 7 and name HE#) 2.7 0.9 4.8
assign (reside 7 and name HD#)(reside 7 and name HB#) 2.7 0.9 3.4
assign (reside 7 and name HD#)(reside 8 and name HB#) 2.7 0.9 3.4

!W8
assign (reside 8 and name HN)(reside 9 and name HN) 3.5 1.7 0.0
assign (reside 8 and name HN)(reside 7 and name HN) 3.5 1.7 0.0
assign (reside 8 and name HN)(reside 7 and name HA) 3.5 1.7 0.0
assign (reside 8 and name HN)(reside 8 and name HB#) 3.5 1.7 1.0
assign (reside 8 and name HN)(reside 7 and name HB#) 3.5 1.7 1.0
assign (reside 8 and name HN)(reside 32 and name HA) 5.0 3.2 0.0
assign (reside 8 and name HN)(reside 8 and name HA) 3.5 1.7 0.0

assign (reside 8 and name HA)(reside 8 and name HB#) 2.7 0.9 1.0
assign (reside 8 and name HA)(reside 32 and name HA) 3.5 1.7 0.0
assign (reside 8 and name HB#)(reside 32 and name HB#) 3.5 1.7 2.0

assign (reside 8 and name HE1)(reside 8 and name HZ2) 3.5 1.7 0.0
assign (reside 8 and name HE1)(reside 8 and name HD1) 2.7 0.9 0.0

!W9
assign (reside 9 and name HN)(reside 32 and name HA) 5.0 3.5 0.0
assign (reside 9 and name HN)(reside 9 and name HA) 5.0 3.2 0.0
assign (reside 9 and name HN)(reside 8 and name HA) 2.7 0.9 0.0
assign (reside 9 and name HN)(reside 8 and name HB#) 3.5 1.7 1.0
assign (reside 9 and name HN)(reside 9 and name HB#) 2.7 0.9 1.0
assign (reside 9 and name HN)(reside 6 and name HN) 5.0 3.2 0.0

assign (reside 9 and name HA)(reside 9 and name HB#) 2.7 0.9 1.0

assign (reside 9 and name HE1)(reside 6 and name HA#) 3.5 1.7 1.0
assign (reside 9 and name HE1)(reside 9 and name HH2) 5.0 3.2 0.0
assign (reside 9 and name HE1)(reside 9 and name HZ2) 3.5 1.7 0.0
assign (reside 9 and name HE1)(reside 9 and name HD1) 2.7 0.9 0.0
assign (reside 9 and name HE1)(reside 6 and name HN) 5.0 3.2 0.0
assign (reside 9 and name HE1)(reside 9 and name HA) 5.0 3.2 0.0

assign (reside 9 and name HD1)(reside 9 and name HA) 5.0 3.2 0.0
assign (reside 9 and name HD1)(reside 9 and name HB#) 3.5 1.7 1.0

assign (reside 9 and name HE3)(reside 9 and name HA) 5.0 3.2 0.0
assign (reside 9 and name HE3)(reside 9 and name HB#) 2.7 0.9 1.0
assign (reside 9 and name HE3)(reside 6 and name HA#) 5.0 3.2 1.0
assign (reside 9 and name HE3)(reside 9 and name HZ3) 2.7 0.9 0.0
assign (reside 9 and name HE3)(reside 9 and name HH2) 5.0 3.2 0.0
assign (reside 9 and name HE3)(reside 5 and name HA#) 3.5 1.7 1.0

assign (reside 9 and name HZ3)(reside 6 and name HA#) 5.0 3.2 1.0
assign (reside 9 and name HZ3)(reside 5 and name HA#) 3.5 1.7 1.0
assign (reside 9 and name HZ2)(reside 6 and name HN) 5.0 3.2 0.0
assign (reside 9 and name HZ2)(reside 6 and name HA#) 2.7 0.9 1.0

!K10
assign (reside 10 and name HN)(reside 9 and name HA) 2.7 0.9 0.0
assign (reside 10 and name HN)(reside 9 and name HB#) 3.5 1.7 1.0
assign (reside 10 and name HN)(reside 10 and name HA) 5.0 3.2 0.0
assign (reside 10 and name HN)(reside 10 and name HB#) 2.7 0.9 1.0
assign (reside 10 and name HN)(reside 10 and name HG#) 3.5 1.7 1.0

assign (reside 10 and name HA)(reside 29 and name HA#) 5.0 3.2 1.0
assign (reside 10 and name HA)(reside 10 and name HB#) 2.7 0.9 1.0
assign (reside 10 and name HA)(reside 10 and name HG#) 3.5 1.7 1.0
assign (reside 10 and name HA)(reside 10 and name HD#) 5.0 3.2 1.0
assign (reside 10 and name HB#)(reside 10 and name HG#) 2.7 0.9 2.0
assign (reside 10 and name HB#)(reside 10 and name HD#) 3.5 1.7 2.0
assign (reside 10 and name HG#)(reside 10 and name HD#) 2.7 0.9 2.0

!C11
assign (reside 11 and name HN)(reside 30 and name HA) 2.7 0.9 0.0
assign (reside 11 and name HN)(reside 10 and name HA) 2.7 0.9 0.0
assign (reside 11 and name HN)(reside 10 and name HB#) 3.5 1.7 1.0
assign (reside 11 and name HN)(reside 10 and name HG#) 3.5 1.7 1.0
assign (reside 11 and name HN)(reside 29 and name HA#) 3.5 1.7 1.0
assign (reside 11 and name HN)(reside 11 and name HA) 5.0 3.2 0.0

assign (reside 11 and name HA)(reside 11 and name HB#) 2.7 0.9 1.0
assign (reside 11 and name HA)(reside 16 and name HD#) 3.5 1.7 2.0
assign (reside 11 and name HA)(reside 10 and name HB#) 3.5 1.7 1.0
assign (reside 11 and name HA)(reside 10 and name HG#) 5.0 3.2 1.0
assign (reside 11 and name HB#)(reside 24 and name HB#) 2.7 0.9 2.0


!G12
assign (reside 12 and name HN)(reside 11 and name HA) 2.7 0.9 0.0
assign (reside 12 and name HN)(reside 12 and name HA#) 2.7 0.9 1.0
assign (reside 12 and name HN)(reside 11 and name HB#) 2.7 0.9 1.0
assign (reside 12 and name HN)(reside 15 and name HG#) 5.0 3.2 1.0
assign (reside 12 and name HN)(reside 15 and name HB#) 2.7 0.9 1.0
assign (reside 12 and name HN)(reside 15 and name HD#) 5.0 3.2 1.0
assign (reside 12 and name HN)(reside 15 and name HN) 3.5 1.7 0.0
assign (reside 12 and name HN)(reside 13 and name HN) 5.0 3.2 0.0

assign (reside 12 and name HA#)(reside 11 and name HB#) 3.5 1.7 2.0
assign (reside 12 and name HA#)(reside 15 and name HG#) 5.0 3.2 2.0
assign (reside 12 and name HA#)(reside 15 and name HD#) 5.0 3.2 2.0

!R13
assign (reside 13 and name HN)(reside 12 and name HA#) 2.7 0.9 1.0
assign (reside 13 and name HN)(reside 13 and name HA) 3.5 1.7 0.0
assign (reside 13 and name HN)(reside 13 and name HD#) 5.0 3.2 1.0
assign (reside 13 and name HN)(reside 13 and name HG#) 3.5 1.7 1.0
assign (reside 13 and name HN)(reside 13 and name HB#) 2.7 0.9 1.0

assign (reside 13 and name HA)(reside 13 and name HB#) 2.7 0.9 1.0
assign (reside 13 and name HA)(reside 13 and name HG#) 3.5 1.7 1.0
assign (reside 13 and name HB#)(reside 13 and name HG#) 2.7 0.9 2.0


!G14
assign (reside 14 and name HN)(reside 13 and name HN) 3.5 1.7 0.0
assign (reside 14 and name HN)(reside 15 and name HN) 2.7 0.9 0.0
assign (reside 14 and name HN)(reside 13 and name HA) 3.5 1.7 0.0
assign (reside 14 and name HN)(reside 14 and name HA#) 2.7 0.9 1.0
assign (reside 14 and name HN)(reside 13 and name HB#) 3.5 1.7 1.0
assign (reside 14 and name HN)(reside 13 and name HG#) 5.0 3.2 1.0
assign (reside 14 and name HN)(reside 13 and name HD#) 5.0 3.2 1.0


!K15
assign (reside 15 and name HN)(reside 15 and name HA) 3.5 1.7 0.0
assign (reside 15 and name HN)(reside 13 and name HA) 5.0 3.2 0.0
assign (reside 15 and name HN)(reside 12 and name HA#) 3.5 1.7 1.0
assign (reside 15 and name HN)(reside 14 and name HA#) 2.7 0.9 1.0
assign (reside 15 and name HN)(reside 15 and name HB#) 2.7 0.9 1.0
assign (reside 15 and name HN)(reside 15 and name HG#) 3.5 1.7 1.0
assign (reside 15 and name HN)(reside 15 and name HD#) 5.0 3.2 1.0

assign (reside 15 and name HA)(reside 16 and name HD#) 2.7 0.9 1.0
assign (reside 15 and name HA)(reside 15 and name HB#) 2.7 0.9 1.0
assign (reside 15 and name HA)(reside 15 and name HG#) 3.5 1.7 1.0
assign (reside 15 and name HA)(reside 15 and name HD#) 5.0 3.2 1.0
assign (reside 15 and name HB#)(reside 15 and name HG#) 2.7 0.9 2.0
assign (reside 15 and name HB#)(reside 15 and name HD#) 3.5 1.7 2.0
assign (reside 15 and name HG#)(reside 15 and name HD#) 2.7 0.9 2.0

!P16
assign (resid 16 and name HA)(resid 16 and name HB#) 2.7 0.9 1.0
assign (resid 16 and name HA)(resid 16 and name HG#) 3.5 1.7 1.0
assign (resid 16 and name HA)(resid 16 and name HD#) 3.5 1.7 1.0
assign (resid 16 and name HB#)(resid 16 and name HG#) 2.7 0.9 2.0
assign (resid 16 and name HB#)(resid 16 and name HD#) 3.5 1.7 2.0
assign (resid 16 and name HD#)(resid 16 and name HG#) 2.7 0.9 2.0

assign (resid 16 and name HD#)(resid 15 and name HB#) 3.5 1.7 2.0
assign (resid 16 and name HD#)(resid 15 and name HG#) 5.0 3.2 2.0
assign (resid 16 and name HA)(resid 17 and name HD#) 3.5 1.7 1.0

!P17
assign (resid 17 and name HA)(resid 17 and name HB#) 2.7 0.9 1.0
assign (resid 17 and name HA)(resid 17 and name HG#) 3.5 1.7 1.0
assign (resid 17 and name HA)(resid 17 and name HD#) 3.5 1.7 1.0
assign (resid 17 and name HB#)(resid 17 and name HG#) 2.7 0.9 2.0
assign (resid 17 and name HB#)(resid 17 and name HD#) 3.5 1.7 2.0
assign (resid 17 and name HD#)(resid 17 and name HG#) 2.7 0.9 2.0

!C18
assign (reside 18 and name HN)(reside 18 and name HB#) 3.5 1.7 1.0
assign (reside 18 and name HN)(reside 17 and name HA) 2.7 0.9 0.0
assign (reside 18 and name HN)(reside 17 and name HB#) 3.5 1.7 1.0
assign (reside 18 and name HN)(reside 5 and name HA#) 5.0 3.2 1.0
assign (reside 18 and name HN)(reside 4 and name HA) 5.0 3.2 0.0

assign (reside 18 and name HA)(reside 19 and name HB#) 5.0 3.2 1.0
assign (reside 18 and name HA)(reside 18 and name HB#) 2.7 0.9 1.0
assign (reside 18 and name HA)(reside 5 and name HA#) 3.5 1.7 1.0
assign (reside 18 and name HB#)(reside 31 and name HB#) 2.7 0.9 2.0
assign (reside 18 and name HA)(reside 17 and name HB#) 5.0 3.2 1.0


!C19
assign (reside 19 and name HN)(reside 5 and name HN) 2.7 0.9 0.0
assign (reside 19 and name HN)(reside 18 and name HN) 5.0 3.2 0.0
assign (reside 19 and name HN)(reside 20 and name HN) 5.0 3.2 0.0
assign (reside 19 and name HN)(reside 22 and name HD#) 3.5 1.7 2.4
assign (reside 19 and name HN)(reside 22 and name HB#) 5.0 3.2 1.0
assign (reside 19 and name HN)(reside 18 and name HA) 2.7 0.9 0.0
assign (reside 19 and name HN)(reside 19 and name HB#) 2.7 0.9 1.0
assign (reside 19 and name HN)(reside 18 and name HB#) 2.7 0.9 1.0
assign (reside 19 and name HN)(reside 19 and name HA) 3.5 1.7 0.0
assign (reside 19 and name HN)(reside 4 and name HB#) 3.5 1.7 1.0
assign (reside 19 and name HN)(reside 5 and name HA#) 3.5 1.7 1.0

assign (reside 19 and name HA)(reside 4 and name HB#) 3.5 1.7 1.0
assign (reside 19 and name HA)(reside 19 and name HB#) 2.7 0.9 1.0

!K20
assign (reside 20 and name HN)(reside 19 and name HA) 2.7 0.9 0.0
assign (reside 20 and name HN)(reside 22 and name HD#) 5.0 3.2 2.4
assign (reside 20 and name HN)(reside 20 and name HB#) 2.7 0.9 1.0
assign (reside 20 and name HN)(reside 20 and name HA) 2.7 0.9 0.0
assign (reside 20 and name HN)(reside 20 and name HG#) 3.5 1.7 1.0
assign (reside 20 and name HN)(reside 4 and name HB#) 3.5 1.7 1.0
assign (reside 20 and name HN)(reside 19 and name HB#) 2.7 0.9 1.0

assign (reside 20 and name HA)(reside 20 and name HB#) 2.7 0.9 1.0
assign (reside 20 and name HA)(reside 20 and name HG#) 3.5 1.7 1.0
assign (reside 20 and name HA)(reside 20 and name HD#) 5.0 3.2 1.0
assign (reside 20 and name HB#)(reside 20 and name HG#) 2.7 0.9 2.0
assign (reside 20 and name HB#)(reside 20 and name HD#) 3.5 1.7 2.0
assign (reside 20 and name HG#)(reside 20 and name HD#) 2.7 0.9 2.0

!G21
assign (reside 21 and name HN)(reside 22 and name HD#) 5.0 3.2 2.4
assign (reside 21 and name HN)(reside 20 and name HA) 2.7 0.9 0.0
assign (reside 21 and name HN)(reside 22 and name HB#) 5.0 3.2 1.0
assign (reside 21 and name HN)(reside 21 and name HA#) 2.7 0.9 1.0
assign (reside 21 and name HN)(reside 20 and name HG#) 3.5 1.7 1.0
assign (reside 21 and name HN)(reside 20 and name HB#) 3.5 1.7 1.0
assign (reside 21 and name HN)(reside 22 and name HN) 2.7 0.9 0.0

!Y22
assign (reside 22 and name HN)(reside 21 and name HA#) 2.7 0.9 1.0
assign (reside 22 and name HN)(reside 20 and name HN) 5.0 3.2 0.0
assign (reside 22 and name HN)(reside 22 and name HB#) 3.5 1.7 1.0
assign (reside 22 and name HN)(reside 33 and name HG#) 3.5 1.7 2.4
assign (reside 22 and name HN)(reside 22 and name HD#) 2.7 0.9 2.4
assign (reside 22 and name HN)(reside 22 and name HE#) 5.0 3.2 2.4
assign (reside 22 and name HN)(reside 22 and name HA) 3.5 1.7 0.0
assign (reside 22 and name HN)(reside 18 and name HB#) 3.5 1.7 1.0

assign (reside 22 and name HA)(reside 21 and name HA#) 5.0 3.2 1.0
assign (reside 22 and name HA)(reside 33 and name HA) 2.7 0.9 0.0
assign (reside 22 and name HA)(reside 22 and name HB#) 2.7 0.9 1.0
assign (reside 22 and name HA)(reside 34 and name HB#) 5.0 3.2 1.0
assign (reside 22 and name HA)(reside 34 and name HG#) 5.0 3.2 1.0
assign (reside 22 and name HA)(reside 23 and name HB#) 5.0 3.2 1.0
assign (reside 22 and name HA)(reside 33 and name HG#) 3.5 1.7 2.4

assign (reside 22 and name HD#)(reside 6 and name HN) 5.0 3.2 2.4
assign (reside 22 and name HD#)(reside 22 and name HA) 3.5 1.7 2.4
assign (reside 22 and name HD#)(reside 32 and name HA) 3.5 1.7 2.4
assign (reside 22 and name HD#)(reside 33 and name HA) 2.7 0.9 2.4
assign (reside 22 and name HD#)(reside 7 and name HA) 5.0 3.2 2.4
assign (reside 22 and name HD#)(reside 22 and name HB#) 2.7 0.9 3.4
assign (reside 22 and name HD#)(reside 21 and name HA#) 3.5 1.7 3.4
assign (reside 22 and name HD#)(reside 19 and name HA) 5.0 3.2 2.4
assign (reside 22 and name HD#)(reside 23 and name HB#) 5.0 3.2 3.4
assign (reside 22 and name HD#)(reside 22 and name HE#) 2.7 0.9 4.8
assign (reside 22 and name HD#)(reside 18 and name HB#) 3.5 1.7 3.4
assign (reside 22 and name HD#)(reside 33 and name HB) 5.0 3.2 2.4
assign (reside 22 and name HD#)(reside 19 and name HB#) 2.7 0.9 3.4
assign (reside 22 and name HD#)(reside 32 and name HB#) 5.0 3.2 3.4
assign (reside 22 and name HD#)(reside 33 and name HG#) 5.0 3.2 4.8

assign (reside 22 and name HE#)(reside 19 and name HA) 5.0 3.2 2.4
assign (reside 22 and name HE#)(reside 22 and name HB#) 5.0 3.2 3.4
assign (reside 22 and name HE#)(reside 7 and name HA) 3.5 1.7 2.4
assign (reside 22 and name HE#)(reside 7 and name HB#) 3.5 1.7 3.4
assign (reside 22 and name HE#)(reside 19 and name HB#) 3.5 1.7 3.4
assign (reside 22 and name HE#)(reside 32 and name HA) 5.0 3.2 2.4
assign (reside 22 and name HE#)(reside 33 and name HG#) 2.7 0.9 4.8 
assign (reside 22 and name HE#)(reside 33 and name HB) 5.0 3.2 2.4
assign (reside 22 and name HE#)(reside 33 and name HA) 5.0 3.2 2.4
assign (reside 22 and name HE#)(reside 22 and name HA) 5.0 3.2 2.4

!A23
assign (reside 23 and name HN)(reside 22 and name HN) 5.0 3.2 0.0
assign (reside 23 and name HN)(reside 32 and name HN) 3.5 1.7 0.0
assign (reside 23 and name HN)(reside 22 and name HA) 2.7 0.9 0.0
assign (reside 23 and name HN)(reside 31 and name HA) 5.0 3.2 0.0
assign (reside 23 and name HN)(reside 34 and name HA) 5.0 3.2 0.0
assign (reside 23 and name HN)(reside 33 and name HA) 3.5 1.7 0.0
assign (reside 23 and name HN)(reside 22 and name HB#) 2.7 0.9 1.0
assign (reside 23 and name HN)(reside 31 and name HB#) 5.0 3.2 1.0
assign (reside 23 and name HN)(reside 23 and name HB#) 2.7 0.9 1.0
assign (reside 23 and name HN)(reside 32 and name HB#) 5.0 3.2 1.0
assign (reside 23 and name HN)(reside 33 and name HG#) 5.0 3.2 2.4
assign (reside 23 and name HN)(reside 23 and name HA) 5.0 3.2 0.0

assign (reside 23 and name HA)(reside 23 and name HB#) 2.7 0.9 1.0
assign (reside 23 and name HA)(reside 18 and name HB#) 3.5 1.7 1.0

!C24
assign (reside 24 and name HN)(reside 24 and name HA) 3.5 1.7 0.0
assign (reside 24 and name HN)(reside 24 and name HB#) 2.7 0.9 1.0
assign (reside 24 and name HN)(reside 23 and name HB#) 2.7 0.9 1.0
assign (reside 24 and name HN)(reside 23 and name HA) 2.7 0.9 0.0

assign (reside 24 and name HA)(reside 24 and name HB#) 3.5 1.7 1.0
assign (reside 24 and name HA)(reside 31 and name HB#) 5.0 3.2 1.0
assign (reside 24 and name HA)(reside 25 and name HB#) 5.0 3.2 1.0


!S25
assign (reside 25 and name HN)(reside 29 and name HA#) 5.0 3.2 1.0
assign (reside 25 and name HN)(reside 30 and name HN) 3.5 1.7 0.0
assign (reside 25 and name HN)(reside 25 and name HA) 3.5 1.7 0.0
assign (reside 25 and name HN)(reside 25 and name HB#) 2.7 0.9 1.0
assign (reside 25 and name HN)(reside 24 and name HA) 2.7 0.9 0.0
assign (reside 25 and name HN)(reside 24 and name HB#) 2.7 0.9 1.0
assign (reside 25 and name HN)(reside 31 and name HA) 3.5 1.7 0.0

assign (reside 25 and name HA)(reside 25 and name HB#) 2.7 0.9 1.0
assign (reside 25 and name HB#)(reside 28 and name HB#) 3.5 1.7 2.0

!K26
assign (reside 26 and name HN)(reside 27 and name HN) 2.7 0.9 0.0
assign (reside 26 and name HN)(reside 28 and name HN) 5.0 3.2 0.0
assign (reside 26 and name HN)(reside 26 and name HB#) 2.7 0.9 1.0
assign (reside 26 and name HN)(reside 26 and name HD#) 5.0 3.2 1.0
assign (reside 26 and name HN)(reside 26 and name HG#) 3.5 1.7 1.0
assign (reside 26 and name HN)(reside 25 and name HA) 2.7 0.9 0.0
assign (reside 26 and name HN)(reside 26 and name HA) 3.5 1.7 0.0
assign (reside 26 and name HN)(reside 13 and name HA) 3.5 1.7 0.0
assign (reside 26 and name HN)(reside 13 and name HG#) 5.0 3.2 1.0
assign (reside 26 and name HN)(reside 13 and name HD#) 5.0 3.2 1.0

assign (reside 26 and name HA)(reside 26 and name HB#) 2.7 0.9 1.0
assign (reside 26 and name HA)(reside 26 and name HG#) 3.5 1.7 1.0
assign (reside 26 and name HA)(reside 26 and name HD#) 5.0 3.2 1.0

!T27
assign (reside 27 and name HN)(reside 26 and name HB#) 2.7 0.9 1.0
assign (reside 27 and name HN)(reside 28 and name HN) 2.7 0.9 0.0
assign (reside 27 and name HN)(reside 26 and name HG#) 3.5 1.7 1.0
assign (reside 27 and name HN)(reside 27 and name HG2#) 3.5 1.7 1.0
assign (reside 27 and name HN)(reside 26 and name HA) 3.5 1.7 0.0
assign (reside 27 and name HN)(reside 27 and name HA) 3.5 1.7 0.0
assign (reside 27 and name HN)(reside 27 and name HB) 2.7 0.9 0.0
assign (reside 27 and name HN)(reside 25 and name HB#) 5.0 3.2 1.0
assign (reside 27 and name HN)(reside 25 and name HA) 5.0 3.2 0.0

assign (reside 27 and name HA)(reside 27 and name HB) 3.5 1.7 0.0
assign (reside 27 and name HA)(reside 27 and name HG2#) 3.5 1.7 1.0
assign (reside 27 and name HB)(reside 27 and name HG2#) 2.7 0.9 1.0

!W28
assign (reside 28 and name HN)(reside 27 and name HB) 2.7 0.9 0.0
assign (reside 28 and name HN)(reside 28 and name HA) 3.5 1.7 0.0
assign (reside 28 and name HN)(reside 27 and name HG2#) 3.5 1.7 1.0
assign (reside 28 and name HN)(reside 27 and name HA) 3.5 1.7 0.0
assign (reside 28 and name HN)(reside 25 and name HB#) 5.0 3.2 1.0
assign (reside 28 and name HN)(reside 28 and name HB#) 2.7 0.9 1.0

assign (reside 28 and name HA)(reside 28 and name HB#) 2.7 0.9 1.0

assign (reside 28 and name HE1)(reside 27 and name HB) 3.5 1.7 0.0
assign (reside 28 and name HE1)(reside 27 and name HG2#) 3.5 1.7 1.0
assign (reside 28 and name HE1)(reside 28 and name HZ2) 3.5 1.7 0.0
assign (reside 28 and name HE1)(reside 28 and name HD1) 2.7 0.9 0.0
assign (reside 28 and name HE1)(reside 28 and name HB#) 5.0 3.2 1.0
assign (reside 28 and name HE1)(reside 28 and name HA) 5.0 3.2 0.0
assign (reside 28 and name HE1)(reside 28 and name HH2) 5.0 3.2 0.0

!G29
assign (reside 29 and name HN)(reside 28 and name HN) 2.7 0.9 0.0
assign (reside 29 and name HN)(reside 30 and name HN) 2.7 0.9 0.0
assign (reside 29 and name HN)(reside 29 and name HA#) 2.7 0.9 1.0
assign (reside 29 and name HN)(reside 28 and name HA) 5.0 3.2 0.0
assign (reside 29 and name HN)(reside 25 and name HB#) 2.7 0.9 1.0
assign (reside 29 and name HN)(reside 25 and name HA) 5.0 3.2 0.0
assign (reside 29 and name HN)(reside 28 and name HB#) 3.5 1.7 1.0
assign (reside 29 and name HN)(reside 27 and name HN) 5.0 3.2 0.0
assign (reside 29 and name HN)(reside 27 and name HB) 5.0 3.2 0.0
assign (reside 29 and name HN)(reside 26 and name HB#) 5.0 3.2 1.0

!W30
assign (reside 30 and name HN)(reside 30 and name HA) 3.5 1.7 0.0
assign (reside 30 and name HN)(reside 30 and name HB#) 2.7 0.9 1.0
assign (reside 30 and name HN)(reside 29 and name HA#) 2.7 0.9 1.0
assign (reside 30 and name HN)(reside 25 and name HB#) 3.5 1.7 1.0
assign (reside 30 and name HN)(reside 25 and name HA) 5.0 3.2 0.0
assign (reside 30 and name HN)(reside 10 and name HA) 5.0 3.2 0.0

assign (reside 30 and name HA)(reside 10 and name HA) 2.7 0.9 0.0
assign (reside 30 and name HA)(reside 29 and name HA#) 5.0 3.2 1.0
assign (reside 30 and name HA)(reside 25 and name HB#) 5.0 3.2 1.0
assign (reside 30 and name HA)(reside 30 and name HB#) 2.7 0.9 1.0
assign (reside 30 and name HA)(reside 11 and name HB#) 3.5 1.7 1.0

assign (reside 30 and name HE1)(reside 30 and name HZ2) 3.5 1.7 0.0
assign (reside 30 and name HE1)(reside 30 and name HH2) 5.0 3.2 0.0
assign (reside 30 and name HE1)(reside 30 and name HD1) 2.7 0.9 0.0
assign (reside 30 and name HE1)(reside 25 and name HB#) 5.0 3.2 1.0
assign (reside 30 and name HE1)(reside 30 and name HB#) 5.0 3.2 1.0
assign (reside 30 and name HE1)(reside 32 and name HB#) 3.5 1.7 1.0
assign (reside 30 and name HE1)(reside 31 and name HA) 5.0 3.2 0.0

assign (reside 30 and name HD1)(reside 30 and name HA) 5.0 3.2 0.0
assign (reside 30 and name HD1)(reside 30 and name HB#) 3.5 1.7 1.0

assign (reside 30 and name HE3)(reside 29 and name HA#) 3.5 1.7 1.0
assign (reside 30 and name HE3)(reside 29 and name HN) 5.0 3.2 0.0

assign (reside 30 and name HH2)(reside 28 and name HB#) 3.5 1.7 1.0
assign (reside 30 and name HZ2)(reside 28 and name HB#) 3.5 1.7 1.0

!C31
assign (reside 31 and name HN)(reside 30 and name HD1) 3.5 1.7 0.0
assign (reside 31 and name HN)(reside 30 and name HE1) 5.0 3.2 0.0
assign (reside 31 and name HN)(reside 9 and name HN) 3.5 1.7 0.0
assign (reside 31 and name HN)(reside 9 and name HA) 5.0 3.2 0.0
assign (reside 31 and name HN)(reside 10 and name HA) 3.5 1.7 0.0
assign (reside 31 and name HN)(reside 11 and name HN) 5.0 3.2 0.0
assign (reside 31 and name HN)(reside 11 and name HB#) 5.0 3.2 1.0
assign (reside 31 and name HN)(reside 30 and name HA) 2.7 0.9 0.0
assign (reside 31 and name HN)(reside 31 and name HB#) 2.7 0.9 1.0
assign (reside 31 and name HN)(reside 30 and name HB#) 2.7 0.9 1.0
assign (reside 31 and name HN)(reside 31 and name HA) 5.0 3.2 0.0

assign (reside 31 and name HA)(reside 31 and name HB#) 3.5 1.7 1.0
assign (reside 31 and name HA)(reside 24 and name HB#) 3.5 1.7 1.0
assign (reside 31 and name HA)(reside 24 and name HA) 2.7 0.9 0.0
assign (reside 31 and name HA)(reside 11 and name HB#) 5.0 3.2 1.0
assign (reside 31 and name HA)(reside 23 and name HB#) 6.0 4.2 1.0

!A32
assign (reside 32 and name HN)(reside 30 and name HE1) 5.0 3.2 0.0
assign (reside 32 and name HN)(reside 33 and name HN) 5.0 3.2 0.0
assign (reside 32 and name HN)(reside 22 and name HD#) 5.0 3.2 2.4
assign (reside 32 and name HN)(reside 24 and name HA) 3.5 1.7 0.0
assign (reside 32 and name HN)(reside 25 and name HN) 5.0 3.2 0.0
assign (reside 32 and name HN)(reside 30 and name HD1) 5.0 3.2 0.0
assign (reside 32 and name HN)(reside 31 and name HA) 2.7 0.9 0.0
assign (reside 32 and name HN)(reside 22 and name HA) 5.0 3.2 0.0
assign (reside 32 and name HN)(reside 22 and name HB#) 5.0 3.2 1.0
assign (reside 32 and name HN)(reside 31 and name HB#) 3.5 1.7 1.0
assign (reside 32 and name HN)(reside 32 and name HB#) 2.7 0.9 1.0

assign (reside 32 and name HA)(reside 32 and name HB#) 2.7 0.9 1.0
assign (reside 32 and name HA)(reside 7 and name HA) 3.5 1.7 0.0
assign (reside 32 and name HB#)(reside 33 and name HG#) 5.0 3.2 3.4

!V33
assign (reside 33 and name HN)(reside 22 and name HB#) 5.0 3.2 1.0
assign (reside 33 and name HN)(reside 22 and name HD#) 3.5 1.7 2.4
assign (reside 33 and name HN)(reside 22 and name HE#) 5.0 3.2 2.4
assign (reside 33 and name HN)(reside 32 and name HA) 2.7 0.9 0.0
assign (reside 33 and name HN)(reside 33 and name HB) 2.7 0.9 0.0
assign (reside 33 and name HN)(reside 32 and name HB#) 3.5 1.7 1.0
assign (reside 33 and name HN)(reside 33 and name HG#) 2.7 0.9 2.4
assign (reside 33 and name HN)(reside 33 and name HA) 3.5 1.7 0.0
assign (reside 33 and name HN)(reside 22 and name HA) 5.0 3.2 0.0

assign (reside 33 and name HA)(reside 33 and name HB) 3.5 1.7 0.0
assign (reside 33 and name HA)(reside 22 and name HB#) 3.5 1.7 1.0
assign (reside 33 and name HA)(reside 33 and name HG#) 3.5 1.7 2.4
assign (reside 33 and name HB)(reside 33 and name HG#) 2.7 0.9 2.4


!E34
assign (reside 34 and name HN)(reside 22 and name HA) 5.0 3.2 0.0
assign (reside 34 and name HN)(reside 34 and name HA) 3.5 1.7 0.0
assign (reside 34 and name HN)(reside 34 and name HB#) 2.7 0.9 1.0
assign (reside 34 and name HN)(reside 34 and name HG#) 3.5 1.7 1.0
assign (reside 34 and name HN)(reside 33 and name HA) 2.7 0.9 0.0
assign (reside 34 and name HN)(reside 33 and name HB) 5.0 3.2 0.0
assign (reside 34 and name HN)(reside 33 and name HG#) 2.7 0.9 2.4

assign (reside 34 and name HA)(reside 34 and name HB#) 3.5 1.7 1.0
assign (reside 34 and name HA)(reside 34 and name HG#) 3.5 1.7 1.0
assign (reside 34 and name HB#)(reside 34 and name HG#) 2.7 0.9 2.0

!A35
assign (reside 35 and name HN)(reside 35 and name HA) 3.5 1.7 0.0
assign (reside 35 and name HN)(reside 34 and name HA) 3.5 1.7 0.0
assign (reside 35 and name HN)(reside 35 and name HB#) 2.7 0.9 1.0
assign (reside 35 and name HN)(reside 34 and name HB#) 3.5 1.7 1.0

assign (reside 35 and name HA)(reside 36 and name HD#) 3.5 1.7 1.0
assign (reside 35 and name HA)(reside 35 and name HB#) 3.5 1.7 1.0

!P36
assign (resid 36 and name HA)(resid 36 and name HB#) 2.7 0.9 1.0
assign (resid 36 and name HA)(resid 36 and name HG#) 3.5 1.7 1.0
assign (resid 36 and name HA)(resid 36 and name HD#) 3.5 1.7 1.0
assign (resid 36 and name HB#)(resid 36 and name HG#) 2.7 0.9 2.0
assign (resid 36 and name HB#)(resid 36 and name HD#) 3.5 1.7 2.0
assign (resid 36 and name HD#)(resid 36 and name HG#) 2.7 0.9 2.0

assign (resid 4 and name SG)(resid 19 and name SG)  2.02 0.02 0.02
assign (resid 4 and name SG)(resid 19 and name CB)  2.99 0.5 0.5
assign (resid 4 and name CB)(resid 19 and name SG)  2.99 0.5 0.5
assign (resid 11 and name SG)(resid 24 and name SG)  2.02 0.02 0.02
assign (resid 11 and name SG)(resid 24 and name CB)  2.99 0.5 0.5
assign (resid 11 and name CB)(resid 24 and name SG)  2.99 0.5 0.5
assign (resid 18 and name SG)(resid 31 and name SG)  2.02 0.02 0.02
assign (resid 18 and name SG)(resid 31 and name CB)  2.99 0.5 0.5
assign (resid 18 and name CB)(resid 31 and name SG)  2.99 0.5 0.5

!HBOND
assign (resid 32 and name hn)(resid 23 and name o) 1.8 0.3 0.5
assign (resid 32 and name n)(resid 23 and name o) 2.8 0.4 0.5
assign (resid 23 and name hn)(resid 32 and name o) 1.8 0.3 0.5
assign (resid 23 and name n)(resid 32 and name o) 2.8 0.4 0.5
assign (resid 31 and name hn)(resid 9 and name o) 1.8 0.3 0.5
assign (resid 31 and name n)(resid 9 and name o) 2.8 0.4 0.5
assign (resid 9 and name hn)(resid 31 and name o) 1.8 0.3 0.5
assign (resid 9 and name n)(resid 31 and name o) 2.8 0.4 0.5

Set message=on echo=on end
restaints dihedral reset
!!C4
assign (resid 3 and name c) (resid 4 and name n)
       (resid 4 and name ca) (resid 4 and name c) 1.0 -120.0 30.0 2
!!F7
assign (resid 6 and name c) (resid 7 and name n)
       (resid 7 and name ca) (resid 7 and name c) 1.0 -65.0 25.0 2
!!K10
assign (resid 9 and name c) (resid 10 and name n)
       (resid 10 and name ca) (resid 10 and name c) 1.0 -120.0 30.0 2
!!C11
assign (resid 10 and name c) (resid 11 and name n)
       (resid 11 and name ca) (resid 11 and name c) 1.0 -120.0 30.0 2
!!R13
assign (resid 12 and name c) (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c) 1.0 -65.0 25.0 2
!!C18
assign (resid 17 and name c) (resid 18 and name n)
       (resid 18 and name ca) (resid 18 and name c) 1.0 -65.0 25.0 2
!!C19
assign (resid 18 and name c) (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c) 1.0 -65.0 25.0 2
!!K20
assign (resid 19 and name c) (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c) 1.0 -65.0 25.0 2
!!Y22
assign (resid 21 and name c) (resid 22 and name n)
       (resid 22 and name ca) (resid 22 and name c) 1.0 -120.0 30.0 2
!!A23
assign (resid 22 and name c) (resid 23 and name n)
       (resid 23 and name ca) (resid 23 and name c) 1.0 -120.0 30.0 2
!!C24
assign (resid 23 and name c) (resid 24 and name n)
       (resid 24 and name ca) (resid 24 and name c) 1.0 -120.0 30.0 2
!!W30
assign (resid 29 and name c) (resid 30 and name n)
       (resid 30 and name ca) (resid 30 and name c) 1.0 -120.0 30.0 2
!!A32
assign (resid 31 and name c) (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c) 1.0 -120.0 30.0 2
end
Set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1          1H        ASP   1  14.792  11.755   0.105
    2   2H    ASP   1          2H        ASP   1  14.675  10.160   0.689
    3   3H    ASP   1          3H        ASP   1  13.422  11.269   0.980
    4    HA   ASP   1           HA       ASP   1  12.671  11.234  -1.214
    5   1HB   ASP   1          2HB       ASP   1  14.190  10.120  -2.963
    6   2HB   ASP   1          1HB       ASP   1  14.749  11.656  -2.307
    7    H    GLY   2           H        GLY   2  11.645   9.691   0.582
    8   1HA   GLY   2          2HA       GLY   2  12.131   6.860   0.405
    9   2HA   GLY   2          1HA       GLY   2  10.680   7.608   1.075
   10    H    GLU   3           H        GLU   3  11.194   5.314  -0.923
   11    HA   GLU   3           HA       GLU   3  10.088   6.165  -3.467
   12   1HB   GLU   3          2HB       GLU   3  10.707   3.597  -2.046
   13   2HB   GLU   3          1HB       GLU   3   9.731   3.539  -3.514
   14   1HG   GLU   3          2HG       GLU   3  11.802   3.422  -4.503
   15   2HG   GLU   3          1HG       GLU   3  11.691   5.176  -4.375
   16    H    CYS   4           H        CYS   4   7.943   5.706  -4.269
   17    HA   CYS   4           HA       CYS   4   5.891   5.101  -2.178
   18   1HB   CYS   4          2HB       CYS   4   5.265   7.265  -2.301
   19   2HB   CYS   4          1HB       CYS   4   6.462   7.571  -3.550
   20    H    GLY   5           H        GLY   5   3.955   4.142  -3.034
   21   1HA   GLY   5          2HA       GLY   5   4.400   2.674  -5.559
   22   2HA   GLY   5          1HA       GLY   5   3.151   2.323  -4.364
   23    H    GLY   6           H        GLY   6   1.139   2.816  -5.037
   24   1HA   GLY   6          2HA       GLY   6   0.670   5.320  -6.545
   25   2HA   GLY   6          1HA       GLY   6   0.174   3.817  -7.322
   26    H    PHE   7           H        PHE   7  -2.076   4.121  -7.199
   27    HA   PHE   7           HA       PHE   7  -3.307   4.792  -4.592
   28   1HB   PHE   7          2HB       PHE   7  -4.102   5.833  -6.672
   29   2HB   PHE   7          1HB       PHE   7  -4.445   4.241  -7.350
   30    HD1  PHE   7           HD1      PHE   7  -5.082   5.771  -3.970
   31    HD2  PHE   7           HD2      PHE   7  -6.752   3.911  -7.465
   32    HE1  PHE   7           HE1      PHE   7  -7.323   5.788  -2.909
   33    HE2  PHE   7           HE2      PHE   7  -8.992   3.930  -6.403
   34    HZ   PHE   7           HZ       PHE   7  -9.278   4.868  -4.126
   35    H    TRP   8           H        TRP   8  -3.110   2.052  -6.843
   36    HA   TRP   8           HA       TRP   8  -4.061   0.263  -4.648
   37   1HB   TRP   8          2HB       TRP   8  -5.476   1.070  -7.023
   38   2HB   TRP   8          1HB       TRP   8  -5.123  -0.654  -7.131
   39    HD1  TRP   8           HD1      TRP   8  -6.584   1.843  -4.562
   40    HE1  TRP   8           HE1      TRP   8  -8.400   0.619  -3.202
   41    HE3  TRP   8           HE3      TRP   8  -6.176  -2.836  -6.563
   42    HZ2  TRP   8           HZ2      TRP   8  -9.532  -1.998  -2.995
   43    HZ3  TRP   8           HZ3      TRP   8  -7.634  -4.674  -5.768
   44    HH2  TRP   8           HH2      TRP   8  -9.310  -4.262  -3.988
   45    H    TRP   9           H        TRP   9  -1.554   0.059  -4.798
   46    HA   TRP   9           HA       TRP   9  -0.650  -1.644  -7.073
   47   1HB   TRP   9          2HB       TRP   9   0.656  -0.105  -4.821
   48   2HB   TRP   9          1HB       TRP   9   1.577  -1.260  -5.783
   49    HD1  TRP   9           HD1      TRP   9  -1.180   0.816  -7.401
   50    HE1  TRP   9           HE1      TRP   9  -0.121   2.467  -9.064
   51    HE3  TRP   9           HE3      TRP   9   3.765   0.101  -6.334
   52    HZ2  TRP   9           HZ2      TRP   9   2.466   3.374  -9.837
   53    HZ3  TRP   9           HZ3      TRP   9   5.504   1.377  -7.556
   54    HH2  TRP   9           HH2      TRP   9   4.861   3.007  -9.306
   55    H    LYS  10           H        LYS  10   0.701  -3.617  -6.445
   56    HA   LYS  10           HA       LYS  10  -0.737  -5.129  -4.336
   57   1HB   LYS  10          2HB       LYS  10   0.904  -5.670  -6.749
   58   2HB   LYS  10          1HB       LYS  10   1.030  -6.863  -5.454
   59   1HG   LYS  10          2HG       LYS  10  -0.994  -7.704  -5.961
   60   2HG   LYS  10          1HG       LYS  10  -1.734  -6.110  -5.813
   61   1HD   LYS  10          2HD       LYS  10  -1.031  -5.574  -8.124
   62   2HD   LYS  10          1HD       LYS  10  -0.321  -7.182  -8.275
   63   1HE   LYS  10          2HE       LYS  10  -3.210  -6.926  -7.458
   64   2HE   LYS  10          1HE       LYS  10  -2.765  -6.787  -9.169
   65   1HZ   LYS  10          1HZ       LYS  10  -1.482  -8.861  -8.925
   66   2HZ   LYS  10          2HZ       LYS  10  -3.141  -9.092  -8.642
   67   3HZ   LYS  10          3HZ       LYS  10  -2.057  -9.020  -7.338
   68    H    CYS  11           H        CYS  11   0.182  -5.695  -2.397
   69    HA   CYS  11           HA       CYS  11   3.119  -5.616  -2.079
   70   1HB   CYS  11          2HB       CYS  11   2.972  -3.998  -0.238
   71   2HB   CYS  11          1HB       CYS  11   2.248  -3.306  -1.688
   72    H    GLY  12           H        GLY  12   3.798  -6.639  -0.021
   73   1HA   GLY  12          2HA       GLY  12   1.915  -8.751   0.821
   74   2HA   GLY  12          1HA       GLY  12   3.618  -8.637   1.271
   75    H    ARG  13           H        ARG  13   3.971  -8.093   3.365
   76    HA   ARG  13           HA       ARG  13   1.758  -6.960   4.990
   77   1HB   ARG  13          2HB       ARG  13   4.463  -8.215   5.475
   78   2HB   ARG  13          1HB       ARG  13   3.636  -7.365   6.777
   79   1HG   ARG  13          2HG       ARG  13   2.718  -9.428   7.143
   80   2HG   ARG  13          1HG       ARG  13   1.598  -8.897   5.892
   81   1HD   ARG  13          2HD       ARG  13   2.367 -11.106   5.263
   82   2HD   ARG  13          1HD       ARG  13   3.185  -9.956   4.189
   83    HE   ARG  13           HE       ARG  13   4.584 -10.648   6.711
   84   1HH1  ARG  13          1HH2      ARG  13   4.598 -13.064   4.982
   85   2HH1  ARG  13          2HH2      ARG  13   6.003 -12.820   3.998
   86   1HH2  ARG  13          1HH1      ARG  13   6.245  -9.432   4.720
   87   2HH2  ARG  13          2HH1      ARG  13   6.938 -10.759   3.850
   88    H    GLY  14           H        GLY  14   3.242  -5.286   2.946
   89   1HA   GLY  14          2HA       GLY  14   3.544  -2.881   3.128
   90   2HA   GLY  14          1HA       GLY  14   4.076  -3.108   4.795
   91    H    LYS  15           H        LYS  15   5.140  -4.963   1.954
   92    HA   LYS  15           HA       LYS  15   7.936  -4.622   2.668
   93   1HB   LYS  15          2HB       LYS  15   6.362  -6.359   1.137
   94   2HB   LYS  15          1HB       LYS  15   7.408  -5.562  -0.038
   95   1HG   LYS  15          2HG       LYS  15   8.894  -6.277   2.351
   96   2HG   LYS  15          1HG       LYS  15   8.112  -7.690   1.644
   97   1HD   LYS  15          2HD       LYS  15   9.603  -7.734  -0.038
   98   2HD   LYS  15          1HD       LYS  15   9.236  -6.061  -0.454
   99   1HE   LYS  15          2HE       LYS  15  11.010  -6.688   1.911
  100   2HE   LYS  15          1HE       LYS  15  11.678  -6.612   0.269
  101   1HZ   LYS  15          1HZ       LYS  15  10.156  -4.491   1.691
  102   2HZ   LYS  15          2HZ       LYS  15  10.514  -4.433   0.030
  103   3HZ   LYS  15          3HZ       LYS  15  11.769  -4.424   1.174
  104    HA   PRO  16           HA       PRO  16   8.143  -1.858  -1.213
  105   1HB   PRO  16          2HB       PRO  16   5.825  -1.253  -2.537
  106   2HB   PRO  16          1HB       PRO  16   6.805  -2.682  -2.914
  107   1HG   PRO  16          2HG       PRO  16   4.291  -2.472  -1.350
  108   2HG   PRO  16          1HG       PRO  16   4.843  -3.754  -2.436
  109   1HD   PRO  16          2HD       PRO  16   4.946  -3.895   0.307
  110   2HD   PRO  16          1HD       PRO  16   5.989  -4.827  -0.786
  111    HA   PRO  17           HA       PRO  17   6.941   1.556   1.374
  112   1HB   PRO  17          2HB       PRO  17   8.338   3.517   0.074
  113   2HB   PRO  17          1HB       PRO  17   9.109   2.330   1.142
  114   1HG   PRO  17          2HG       PRO  17   8.963   2.389  -1.831
  115   2HG   PRO  17          1HG       PRO  17  10.308   1.922  -0.778
  116   1HD   PRO  17          2HD       PRO  17   8.698   0.119  -2.036
  117   2HD   PRO  17          1HD       PRO  17   9.518  -0.214  -0.495
  118    H    CYS  18           H        CYS  18   4.756   2.023   0.997
  119    HA   CYS  18           HA       CYS  18   3.740   2.893  -1.589
  120   1HB   CYS  18          2HB       CYS  18   2.587   2.889   1.224
  121   2HB   CYS  18          1HB       CYS  18   1.652   3.240  -0.229
  122    H    CYS  19           H        CYS  19   2.358   5.068  -1.524
  123    HA   CYS  19           HA       CYS  19   4.262   7.233  -0.976
  124   1HB   CYS  19          2HB       CYS  19   1.401   7.596  -1.843
  125   2HB   CYS  19          1HB       CYS  19   2.823   8.512  -2.327
  126    H    LYS  20           H        LYS  20   3.609   9.180   0.288
  127    HA   LYS  20           HA       LYS  20   2.850   8.630   2.940
  128   1HB   LYS  20          2HB       LYS  20   4.013  10.667   1.775
  129   2HB   LYS  20          1HB       LYS  20   2.372  11.296   1.622
  130   1HG   LYS  20          2HG       LYS  20   2.270  10.596   4.201
  131   2HG   LYS  20          1HG       LYS  20   4.012  10.849   4.078
  132   1HD   LYS  20          2HD       LYS  20   3.731  13.114   3.373
  133   2HD   LYS  20          1HD       LYS  20   2.003  12.885   3.092
  134   1HE   LYS  20          2HE       LYS  20   1.766  12.392   5.579
  135   2HE   LYS  20          1HE       LYS  20   3.440  12.952   5.763
  136   1HZ   LYS  20          1HZ       LYS  20   2.013  14.829   6.045
  137   2HZ   LYS  20          2HZ       LYS  20   1.156  14.473   4.623
  138   3HZ   LYS  20          3HZ       LYS  20   2.772  14.992   4.538
  139    H    GLY  21           H        GLY  21   0.864   8.181   3.823
  140   1HA   GLY  21          2HA       GLY  21  -1.478   8.729   4.196
  141   2HA   GLY  21          1HA       GLY  21  -1.568   9.332   2.543
  142    H    TYR  22           H        TYR  22   0.044   6.773   1.775
  143    HA   TYR  22           HA       TYR  22  -2.359   5.081   1.358
  144   1HB   TYR  22          2HB       TYR  22   0.471   5.082   0.259
  145   2HB   TYR  22          1HB       TYR  22  -0.774   3.940  -0.240
  146    HD1  TYR  22           HD1      TYR  22  -2.345   4.518  -1.904
  147    HD2  TYR  22           HD2      TYR  22  -0.027   7.602  -0.014
  148    HE1  TYR  22           HE1      TYR  22  -3.223   6.179  -3.522
  149    HE2  TYR  22           HE2      TYR  22  -0.909   9.257  -1.631
  150    HH   TYR  22           HH       TYR  22  -3.486   9.014  -3.287
  151    H    ALA  23           H        ALA  23  -2.521   2.978   2.187
  152    HA   ALA  23           HA       ALA  23  -0.305   2.049   3.993
  153   1HB   ALA  23          1HB       ALA  23  -3.203   1.390   4.437
  154   2HB   ALA  23          2HB       ALA  23  -2.610   2.988   4.888
  155   3HB   ALA  23          3HB       ALA  23  -1.906   1.547   5.620
  156    H    CYS  24           H        CYS  24   0.258  -0.126   3.788
  157    HA   CYS  24           HA       CYS  24  -0.861  -1.599   1.477
  158   1HB   CYS  24          2HB       CYS  24   1.531  -1.505   1.701
  159   2HB   CYS  24          1HB       CYS  24   1.452  -2.004   3.390
  160    H    SER  25           H        SER  25  -1.542  -3.861   1.727
  161    HA   SER  25           HA       SER  25  -2.476  -4.595   4.467
  162   1HB   SER  25          2HB       SER  25  -4.010  -4.012   1.992
  163   2HB   SER  25          1HB       SER  25  -4.560  -5.388   2.947
  164    HG   SER  25           HG       SER  25  -4.553  -2.676   3.533
  165    H    LYS  26           H        LYS  26  -1.787  -6.633   4.927
  166    HA   LYS  26           HA       LYS  26  -0.753  -8.409   2.857
  167   1HB   LYS  26          2HB       LYS  26  -0.168  -9.797   4.742
  168   2HB   LYS  26          1HB       LYS  26   0.093  -8.125   5.229
  169   1HG   LYS  26          2HG       LYS  26  -2.228  -8.161   6.245
  170   2HG   LYS  26          1HG       LYS  26  -2.258  -9.897   5.940
  171   1HD   LYS  26          2HD       LYS  26  -1.278 -10.108   7.968
  172   2HD   LYS  26          1HD       LYS  26   0.191  -9.539   7.177
  173   1HE   LYS  26          2HE       LYS  26  -1.596  -7.332   7.920
  174   2HE   LYS  26          1HE       LYS  26  -1.051  -8.280   9.317
  175   1HZ   LYS  26          1HZ       LYS  26   0.574  -6.578   8.742
  176   2HZ   LYS  26          2HZ       LYS  26   0.699  -7.203   7.167
  177   3HZ   LYS  26          3HZ       LYS  26   1.219  -8.127   8.496
  178    H    THR  27           H        THR  27  -3.712  -8.207   4.795
  179    HA   THR  27           HA       THR  27  -4.817 -10.770   4.013
  180    HB   THR  27           HB       THR  27  -6.264  -8.239   4.869
  181    HG1  THR  27           HG1      THR  27  -5.438  -8.508   6.771
  182   1HG2  THR  27          1HG2      THR  27  -7.776  -9.991   4.180
  183   2HG2  THR  27          2HG2      THR  27  -7.789  -9.933   5.943
  184   3HG2  THR  27          3HG2      THR  27  -6.882 -11.194   5.109
  185    H    TRP  28           H        TRP  28  -5.077  -7.461   2.769
  186    HA   TRP  28           HA       TRP  28  -6.987  -8.156   0.655
  187   1HB   TRP  28          2HB       TRP  28  -5.231  -5.722   1.141
  188   2HB   TRP  28          1HB       TRP  28  -6.578  -5.792   0.015
  189    HD1  TRP  28           HD1      TRP  28  -7.811  -7.744   2.742
  190    HE1  TRP  28           HE1      TRP  28  -9.182  -6.347   4.415
  191    HE3  TRP  28           HE3      TRP  28  -6.404  -3.041   1.334
  192    HZ2  TRP  28           HZ2      TRP  28  -9.633  -3.604   5.068
  193    HZ3  TRP  28           HZ3      TRP  28  -7.323  -1.056   2.497
  194    HH2  TRP  28           HH2      TRP  28  -8.934  -1.332   4.361
  195    H    GLY  29           H        GLY  29  -3.496  -7.484   0.902
  196   1HA   GLY  29          2HA       GLY  29  -1.817  -8.529  -0.457
  197   2HA   GLY  29          1HA       GLY  29  -3.060  -8.944  -1.636
  198    H    TRP  30           H        TRP  30  -3.186  -5.669  -0.484
  199    HA   TRP  30           HA       TRP  30  -1.440  -4.678  -2.660
  200   1HB   TRP  30          2HB       TRP  30  -3.209  -3.623  -3.877
  201   2HB   TRP  30          1HB       TRP  30  -3.753  -5.267  -3.568
  202    HD1  TRP  30           HD1      TRP  30  -4.103  -1.760  -1.963
  203    HE1  TRP  30           HE1      TRP  30  -6.450  -1.591  -0.931
  204    HE3  TRP  30           HE3      TRP  30  -5.831  -6.465  -2.932
  205    HZ2  TRP  30           HZ2      TRP  30  -8.770  -3.230  -0.566
  206    HZ3  TRP  30           HZ3      TRP  30  -8.114  -7.133  -2.237
  207    HH2  TRP  30           HH2      TRP  30  -9.583  -5.521  -1.055
  208    H    CYS  31           H        CYS  31  -1.710  -2.131  -2.712
  209    HA   CYS  31           HA       CYS  31  -1.919  -1.123   0.108
  210   1HB   CYS  31          2HB       CYS  31   0.418  -1.509  -0.816
  211   2HB   CYS  31          1HB       CYS  31   0.068  -0.275  -2.025
  212    H    ALA  32           H        ALA  32  -3.307   0.588   0.280
  213    HA   ALA  32           HA       ALA  32  -3.654   2.472  -1.992
  214   1HB   ALA  32          1HB       ALA  32  -6.105   1.314  -0.694
  215   2HB   ALA  32          2HB       ALA  32  -5.278   0.368  -1.930
  216   3HB   ALA  32          3HB       ALA  32  -5.911   1.966  -2.321
  217    H    VAL  33           H        VAL  33  -5.218   4.309  -1.223
  218    HA   VAL  33           HA       VAL  33  -4.210   5.531   1.146
  219    HB   VAL  33           HB       VAL  33  -6.808   5.937  -0.381
  220   1HG1  VAL  33          1HG1      VAL  33  -6.560   8.299   0.594
  221   2HG1  VAL  33          2HG1      VAL  33  -5.411   7.592   1.730
  222   3HG1  VAL  33          3HG1      VAL  33  -7.086   7.042   1.714
  223   1HG2  VAL  33          1HG2      VAL  33  -5.566   7.726  -1.519
  224   2HG2  VAL  33          2HG2      VAL  33  -4.725   6.190  -1.720
  225   3HG2  VAL  33          3HG2      VAL  33  -4.136   7.371  -0.550
  226    H    GLU  34           H        GLU  34  -4.893   5.461   3.287
  227    HA   GLU  34           HA       GLU  34  -6.766   3.323   4.057
  228   1HB   GLU  34          2HB       GLU  34  -4.535   4.762   5.157
  229   2HB   GLU  34          1HB       GLU  34  -5.897   4.923   6.264
  230   1HG   GLU  34          2HG       GLU  34  -5.032   2.266   5.100
  231   2HG   GLU  34          1HG       GLU  34  -4.435   2.877   6.641
  232    H    ALA  35           H        ALA  35  -8.595   4.581   2.910
  233    HA   ALA  35           HA       ALA  35  -9.607   7.034   4.072
  234   1HB   ALA  35          1HB       ALA  35 -10.214   5.185   1.935
  235   2HB   ALA  35          2HB       ALA  35 -10.719   6.865   2.112
  236   3HB   ALA  35          3HB       ALA  35 -11.693   5.574   2.816
  237    HA   PRO  36           HA       PRO  36 -12.682   4.190   6.382
  238   1HB   PRO  36          2HB       PRO  36 -12.272   1.485   6.342
  239   2HB   PRO  36          1HB       PRO  36 -13.255   2.333   5.132
  240   1HG   PRO  36          2HG       PRO  36 -10.465   1.331   4.936
  241   2HG   PRO  36          1HG       PRO  36 -11.742   1.367   3.711
  242   1HD   PRO  36          2HD       PRO  36  -9.669   3.152   3.819
  243   2HD   PRO  36          1HD       PRO  36 -11.243   3.496   3.071
  Start of MODEL    2
    1   1H    ASP   1          1H        ASP   1   7.894   6.474  -9.155
    2   2H    ASP   1          2H        ASP   1   9.398   5.709  -8.961
    3   3H    ASP   1          3H        ASP   1   8.844   6.115 -10.514
    4    HA   ASP   1           HA       ASP   1  10.529   7.699  -9.817
    5   1HB   ASP   1          2HB       ASP   1   8.487   8.264 -11.210
    6   2HB   ASP   1          1HB       ASP   1   7.724   8.857  -9.735
    7    H    GLY   2           H        GLY   2  11.427   7.479  -7.712
    8   1HA   GLY   2          2HA       GLY   2  11.700   8.929  -5.705
    9   2HA   GLY   2          1HA       GLY   2   9.942   8.917  -5.546
   10    H    GLU   3           H        GLU   3   9.668   7.870  -3.596
   11    HA   GLU   3           HA       GLU   3  10.493   5.010  -3.480
   12   1HB   GLU   3          2HB       GLU   3  11.389   5.400  -1.181
   13   2HB   GLU   3          1HB       GLU   3  12.279   6.308  -2.400
   14   1HG   GLU   3          2HG       GLU   3  10.637   8.248  -1.858
   15   2HG   GLU   3          1HG       GLU   3  10.268   7.331  -0.397
   16    H    CYS   4           H        CYS   4   7.928   5.801  -3.998
   17    HA   CYS   4           HA       CYS   4   6.496   4.970  -1.530
   18   1HB   CYS   4          2HB       CYS   4   5.624   7.024  -1.158
   19   2HB   CYS   4          1HB       CYS   4   6.753   7.648  -2.354
   20    H    GLY   5           H        GLY   5   4.365   4.100  -2.024
   21   1HA   GLY   5          2HA       GLY   5   4.204   2.868  -4.658
   22   2HA   GLY   5          1HA       GLY   5   3.066   2.633  -3.334
   23    H    GLY   6           H        GLY   6   1.157   3.005  -4.483
   24   1HA   GLY   6          2HA       GLY   6   0.697   5.826  -5.295
   25   2HA   GLY   6          1HA       GLY   6   0.331   4.556  -6.460
   26    H    PHE   7           H        PHE   7  -1.928   5.076  -6.425
   27    HA   PHE   7           HA       PHE   7  -3.464   5.069  -3.946
   28   1HB   PHE   7          2HB       PHE   7  -3.990   6.334  -6.058
   29   2HB   PHE   7          1HB       PHE   7  -4.363   4.794  -6.833
   30    HD1  PHE   7           HD1      PHE   7  -6.370   3.547  -6.270
   31    HD2  PHE   7           HD2      PHE   7  -5.401   7.201  -4.228
   32    HE1  PHE   7           HE1      PHE   7  -8.654   3.616  -5.307
   33    HE2  PHE   7           HE2      PHE   7  -7.686   7.268  -3.267
   34    HZ   PHE   7           HZ       PHE   7  -9.312   5.475  -3.805
   35    H    TRP   8           H        TRP   8  -2.626   2.643  -6.378
   36    HA   TRP   8           HA       TRP   8  -3.741   0.536  -4.623
   37   1HB   TRP   8          2HB       TRP   8  -5.416   1.618  -6.405
   38   2HB   TRP   8          1HB       TRP   8  -4.597   0.499  -7.494
   39    HD1  TRP   8           HD1      TRP   8  -6.646   0.531  -4.238
   40    HE1  TRP   8           HE1      TRP   8  -7.711  -1.796  -3.924
   41    HE3  TRP   8           HE3      TRP   8  -4.482  -1.965  -8.134
   42    HZ2  TRP   8           HZ2      TRP   8  -7.654  -4.374  -5.162
   43    HZ3  TRP   8           HZ3      TRP   8  -5.004  -4.352  -8.543
   44    HH2  TRP   8           HH2      TRP   8  -6.586  -5.558  -7.063
   45    H    TRP   9           H        TRP   9  -1.217   0.438  -4.721
   46    HA   TRP   9           HA       TRP   9  -0.207  -0.926  -7.177
   47   1HB   TRP   9          2HB       TRP   9   1.046   0.322  -4.713
   48   2HB   TRP   9          1HB       TRP   9   1.994  -0.601  -5.875
   49    HD1  TRP   9           HD1      TRP   9  -0.867   1.558  -7.144
   50    HE1  TRP   9           HE1      TRP   9   0.097   3.552  -8.453
   51    HE3  TRP   9           HE3      TRP   9   4.100   0.994  -6.091
   52    HZ2  TRP   9           HZ2      TRP   9   2.619   4.758  -8.972
   53    HZ3  TRP   9           HZ3      TRP   9   5.762   2.584  -7.013
   54    HH2  TRP   9           HH2      TRP   9   5.030   4.464  -8.455
   55    H    LYS  10           H        LYS  10   1.455  -2.794  -6.540
   56    HA   LYS  10           HA       LYS  10  -0.070  -4.730  -4.899
   57   1HB   LYS  10          2HB       LYS  10   2.001  -4.737  -7.009
   58   2HB   LYS  10          1HB       LYS  10   2.175  -6.012  -5.803
   59   1HG   LYS  10          2HG       LYS  10   0.733  -7.049  -7.298
   60   2HG   LYS  10          1HG       LYS  10  -0.425  -6.307  -6.194
   61   1HD   LYS  10          2HD       LYS  10  -1.303  -5.160  -7.919
   62   2HD   LYS  10          1HD       LYS  10   0.244  -4.340  -8.136
   63   1HE   LYS  10          2HE       LYS  10  -0.174  -7.118  -9.250
   64   2HE   LYS  10          1HE       LYS  10  -0.698  -5.686 -10.158
   65   1HZ   LYS  10          1HZ       LYS  10   1.592  -6.220 -10.698
   66   2HZ   LYS  10          2HZ       LYS  10   2.026  -6.155  -9.056
   67   3HZ   LYS  10          3HZ       LYS  10   1.525  -4.745  -9.864
   68    H    CYS  11           H        CYS  11   0.629  -5.511  -2.919
   69    HA   CYS  11           HA       CYS  11   3.378  -4.911  -2.000
   70   1HB   CYS  11          2HB       CYS  11   2.128  -2.918  -1.427
   71   2HB   CYS  11          1HB       CYS  11   0.821  -3.880  -0.741
   72    H    GLY  12           H        GLY  12   3.870  -6.080   0.037
   73   1HA   GLY  12          2HA       GLY  12   2.216  -8.547   0.297
   74   2HA   GLY  12          1HA       GLY  12   3.914  -8.418   0.754
   75    H    ARG  13           H        ARG  13   4.181  -8.411   2.930
   76    HA   ARG  13           HA       ARG  13   1.951  -7.571   4.697
   77   1HB   ARG  13          2HB       ARG  13   4.122  -9.436   4.729
   78   2HB   ARG  13          1HB       ARG  13   4.353  -8.332   6.084
   79   1HG   ARG  13          2HG       ARG  13   1.606  -9.415   5.602
   80   2HG   ARG  13          1HG       ARG  13   2.809 -10.487   6.317
   81   1HD   ARG  13          2HD       ARG  13   2.897  -7.865   7.581
   82   2HD   ARG  13          1HD       ARG  13   1.277  -8.575   7.691
   83    HE   ARG  13           HE       ARG  13   3.371 -10.520   8.255
   84   1HH1  ARG  13          1HH2      ARG  13   4.098  -8.466  10.209
   85   2HH1  ARG  13          2HH2      ARG  13   3.037  -8.782  11.543
   86   1HH2  ARG  13          1HH1      ARG  13   0.843 -10.728   9.682
   87   2HH2  ARG  13          2HH1      ARG  13   1.192 -10.065  11.244
   88    H    GLY  14           H        GLY  14   3.282  -5.461   3.163
   89   1HA   GLY  14          2HA       GLY  14   3.706  -3.194   3.813
   90   2HA   GLY  14          1HA       GLY  14   4.152  -3.762   5.422
   91    H    LYS  15           H        LYS  15   5.411  -5.118   2.394
   92    HA   LYS  15           HA       LYS  15   8.154  -4.740   3.318
   93   1HB   LYS  15          2HB       LYS  15   6.734  -6.391   1.522
   94   2HB   LYS  15          1HB       LYS  15   7.878  -5.487   0.532
   95   1HG   LYS  15          2HG       LYS  15   8.982  -7.501   1.289
   96   2HG   LYS  15          1HG       LYS  15   9.690  -6.136   2.154
   97   1HD   LYS  15          2HD       LYS  15   8.041  -6.611   4.030
   98   2HD   LYS  15          1HD       LYS  15   7.642  -8.111   3.191
   99   1HE   LYS  15          2HE       LYS  15   9.332  -8.867   4.610
  100   2HE   LYS  15          1HE       LYS  15  10.304  -8.400   3.201
  101   1HZ   LYS  15          1HZ       LYS  15   9.730  -6.766   5.615
  102   2HZ   LYS  15          2HZ       LYS  15  10.424  -6.129   4.200
  103   3HZ   LYS  15          3HZ       LYS  15  11.243  -7.324   5.088
  104    HA   PRO  16           HA       PRO  16   8.415  -1.652  -0.306
  105   1HB   PRO  16          2HB       PRO  16   6.161  -1.112  -1.761
  106   2HB   PRO  16          1HB       PRO  16   7.270  -2.440  -2.161
  107   1HG   PRO  16          2HG       PRO  16   4.639  -2.519  -0.785
  108   2HG   PRO  16          1HG       PRO  16   5.360  -3.675  -1.914
  109   1HD   PRO  16          2HD       PRO  16   5.277  -4.016   0.812
  110   2HD   PRO  16          1HD       PRO  16   6.460  -4.790  -0.260
  111    HA   PRO  17           HA       PRO  17   6.753   1.447   2.429
  112   1HB   PRO  17          2HB       PRO  17   8.155   3.582   1.439
  113   2HB   PRO  17          1HB       PRO  17   8.881   2.352   2.493
  114   1HG   PRO  17          2HG       PRO  17   9.046   2.644  -0.466
  115   2HG   PRO  17          1HG       PRO  17  10.296   2.160   0.693
  116   1HD   PRO  17          2HD       PRO  17   8.937   0.392  -0.870
  117   2HD   PRO  17          1HD       PRO  17   9.610  -0.024   0.721
  118    H    CYS  18           H        CYS  18   4.598   1.793   1.854
  119    HA   CYS  18           HA       CYS  18   3.758   2.788  -0.741
  120   1HB   CYS  18          2HB       CYS  18   2.410   2.518   1.967
  121   2HB   CYS  18          1HB       CYS  18   1.554   2.979   0.494
  122    H    CYS  19           H        CYS  19   2.508   4.904  -0.934
  123    HA   CYS  19           HA       CYS  19   4.129   7.130  -0.082
  124   1HB   CYS  19          2HB       CYS  19   2.031   6.560  -1.896
  125   2HB   CYS  19          1HB       CYS  19   1.446   7.868  -0.868
  126    H    LYS  20           H        LYS  20   3.489   8.876   1.358
  127    HA   LYS  20           HA       LYS  20   2.612   8.161   3.914
  128   1HB   LYS  20          2HB       LYS  20   3.522  10.426   2.559
  129   2HB   LYS  20          1HB       LYS  20   1.946  10.909   3.187
  130   1HG   LYS  20          2HG       LYS  20   2.577  10.565   5.411
  131   2HG   LYS  20          1HG       LYS  20   3.874   9.452   4.973
  132   1HD   LYS  20          2HD       LYS  20   5.065  11.403   3.894
  133   2HD   LYS  20          1HD       LYS  20   3.838  12.458   4.595
  134   1HE   LYS  20          2HE       LYS  20   5.130  10.542   6.475
  135   2HE   LYS  20          1HE       LYS  20   6.138  11.879   5.891
  136   1HZ   LYS  20          1HZ       LYS  20   4.375  13.425   6.470
  137   2HZ   LYS  20          2HZ       LYS  20   4.849  12.539   7.839
  138   3HZ   LYS  20          3HZ       LYS  20   3.404  12.152   7.032
  139    H    GLY  21           H        GLY  21   0.620   7.715   4.769
  140   1HA   GLY  21          2HA       GLY  21  -1.726   8.180   5.125
  141   2HA   GLY  21          1HA       GLY  21  -1.800   8.900   3.519
  142    H    TYR  22           H        TYR  22  -0.200   6.423   2.533
  143    HA   TYR  22           HA       TYR  22  -2.603   4.795   1.950
  144   1HB   TYR  22          2HB       TYR  22   0.283   4.652   1.013
  145   2HB   TYR  22          1HB       TYR  22  -1.045   3.713   0.341
  146    HD1  TYR  22           HD1      TYR  22   0.399   5.245  -1.557
  147    HD2  TYR  22           HD2      TYR  22  -2.698   6.597   1.097
  148    HE1  TYR  22           HE1      TYR  22  -0.125   7.106  -3.109
  149    HE2  TYR  22           HE2      TYR  22  -3.215   8.455  -0.454
  150    HH   TYR  22           HH       TYR  22  -2.714   8.649  -3.318
  151    H    ALA  23           H        ALA  23  -2.728   2.545   2.419
  152    HA   ALA  23           HA       ALA  23  -0.778   1.524   4.462
  153   1HB   ALA  23          1HB       ALA  23  -2.747   0.466   5.528
  154   2HB   ALA  23          2HB       ALA  23  -3.786   1.130   4.265
  155   3HB   ALA  23          3HB       ALA  23  -2.975   2.211   5.397
  156    H    CYS  24           H        CYS  24  -0.116  -0.629   4.155
  157    HA   CYS  24           HA       CYS  24  -0.737  -1.838   1.527
  158   1HB   CYS  24          2HB       CYS  24   1.566  -1.716   2.232
  159   2HB   CYS  24          1HB       CYS  24   1.185  -2.446   3.790
  160    H    SER  25           H        SER  25  -1.350  -4.121   1.373
  161    HA   SER  25           HA       SER  25  -2.731  -5.239   3.779
  162   1HB   SER  25          2HB       SER  25  -3.865  -4.923   0.981
  163   2HB   SER  25          1HB       SER  25  -4.681  -5.713   2.328
  164    HG   SER  25           HG       SER  25  -4.366  -3.053   1.763
  165    H    LYS  26           H        LYS  26  -1.499  -7.098   4.052
  166    HA   LYS  26           HA       LYS  26  -0.370  -8.596   1.831
  167   1HB   LYS  26          2HB       LYS  26   0.238 -10.184   3.645
  168   2HB   LYS  26          1HB       LYS  26   0.644  -8.524   4.063
  169   1HG   LYS  26          2HG       LYS  26  -0.471  -8.927   5.991
  170   2HG   LYS  26          1HG       LYS  26  -1.932  -8.753   5.021
  171   1HD   LYS  26          2HD       LYS  26  -2.053 -11.136   4.646
  172   2HD   LYS  26          1HD       LYS  26  -0.471 -11.382   5.388
  173   1HE   LYS  26          2HE       LYS  26  -2.636 -10.048   6.995
  174   2HE   LYS  26          1HE       LYS  26  -2.639 -11.814   6.825
  175   1HZ   LYS  26          1HZ       LYS  26  -0.317 -10.169   7.695
  176   2HZ   LYS  26          2HZ       LYS  26  -0.331 -11.861   7.529
  177   3HZ   LYS  26          3HZ       LYS  26  -1.285 -11.114   8.718
  178    H    THR  27           H        THR  27  -3.310  -8.860   3.778
  179    HA   THR  27           HA       THR  27  -4.122 -11.480   2.859
  180    HB   THR  27           HB       THR  27  -5.876  -9.183   3.783
  181    HG1  THR  27           HG1      THR  27  -4.903  -9.321   5.620
  182   1HG2  THR  27          1HG2      THR  27  -6.798 -11.459   2.912
  183   2HG2  THR  27          2HG2      THR  27  -7.408 -10.840   4.445
  184   3HG2  THR  27          3HG2      THR  27  -6.185 -12.109   4.432
  185    H    TRP  28           H        TRP  28  -4.688  -8.176   1.706
  186    HA   TRP  28           HA       TRP  28  -6.500  -9.041  -0.447
  187   1HB   TRP  28          2HB       TRP  28  -5.145  -6.393   0.183
  188   2HB   TRP  28          1HB       TRP  28  -6.452  -6.615  -0.971
  189    HD1  TRP  28           HD1      TRP  28  -7.540  -8.881   1.485
  190    HE1  TRP  28           HE1      TRP  28  -9.082  -7.814   3.252
  191    HE3  TRP  28           HE3      TRP  28  -6.517  -3.941   0.687
  192    HZ2  TRP  28           HZ2      TRP  28  -9.799  -5.213   4.193
  193    HZ3  TRP  28           HZ3      TRP  28  -7.645  -2.192   2.032
  194    HH2  TRP  28           HH2      TRP  28  -9.283  -2.822   3.783
  195    H    GLY  29           H        GLY  29  -3.139  -7.898  -0.112
  196   1HA   GLY  29          2HA       GLY  29  -1.366  -8.785  -1.522
  197   2HA   GLY  29          1HA       GLY  29  -2.555  -9.050  -2.794
  198    H    TRP  30           H        TRP  30  -2.859  -5.972  -1.215
  199    HA   TRP  30           HA       TRP  30  -1.033  -4.649  -3.133
  200   1HB   TRP  30          2HB       TRP  30  -2.764  -3.514  -4.323
  201   2HB   TRP  30          1HB       TRP  30  -3.264  -5.198  -4.247
  202    HD1  TRP  30           HD1      TRP  30  -3.836  -1.927  -2.253
  203    HE1  TRP  30           HE1      TRP  30  -6.250  -1.939  -1.382
  204    HE3  TRP  30           HE3      TRP  30  -5.350  -6.515  -3.909
  205    HZ2  TRP  30           HZ2      TRP  30  -8.538  -3.654  -1.388
  206    HZ3  TRP  30           HZ3      TRP  30  -7.656  -7.308  -3.468
  207    HH2  TRP  30           HH2      TRP  30  -9.249  -5.884  -2.210
  208    H    CYS  31           H        CYS  31  -1.397  -2.132  -2.898
  209    HA   CYS  31           HA       CYS  31  -1.840  -1.459  -0.005
  210   1HB   CYS  31          2HB       CYS  31   0.578  -1.637  -0.831
  211   2HB   CYS  31          1HB       CYS  31   0.234  -0.243  -1.855
  212    H    ALA  32           H        ALA  32  -3.368   0.130   0.213
  213    HA   ALA  32           HA       ALA  32  -3.714   2.129  -1.989
  214   1HB   ALA  32          1HB       ALA  32  -6.190   1.750  -1.740
  215   2HB   ALA  32          2HB       ALA  32  -5.831   0.403  -0.661
  216   3HB   ALA  32          3HB       ALA  32  -5.328   0.338  -2.351
  217    H    VAL  33           H        VAL  33  -5.426   3.841  -1.128
  218    HA   VAL  33           HA       VAL  33  -4.328   5.041   1.263
  219    HB   VAL  33           HB       VAL  33  -6.947   5.646  -0.150
  220   1HG1  VAL  33          1HG1      VAL  33  -6.857   7.005   1.752
  221   2HG1  VAL  33          2HG1      VAL  33  -6.085   8.027   0.540
  222   3HG1  VAL  33          3HG1      VAL  33  -5.099   7.134   1.698
  223   1HG2  VAL  33          1HG2      VAL  33  -5.648   5.962  -1.991
  224   2HG2  VAL  33          2HG2      VAL  33  -4.155   5.897  -1.057
  225   3HG2  VAL  33          3HG2      VAL  33  -5.070   7.402  -1.156
  226    H    GLU  34           H        GLU  34  -5.076   4.939   3.377
  227    HA   GLU  34           HA       GLU  34  -7.247   2.994   3.962
  228   1HB   GLU  34          2HB       GLU  34  -6.335   3.188   6.273
  229   2HB   GLU  34          1HB       GLU  34  -5.081   2.790   5.101
  230   1HG   GLU  34          2HG       GLU  34  -3.982   4.747   5.439
  231   2HG   GLU  34          1HG       GLU  34  -5.474   5.685   5.467
  232    H    ALA  35           H        ALA  35  -8.383   5.212   2.834
  233    HA   ALA  35           HA       ALA  35  -9.139   7.192   4.876
  234   1HB   ALA  35          1HB       ALA  35  -8.909   7.164   2.147
  235   2HB   ALA  35          2HB       ALA  35  -9.834   8.370   3.039
  236   3HB   ALA  35          3HB       ALA  35 -10.651   6.974   2.338
  237    HA   PRO  36           HA       PRO  36 -12.416   4.424   6.208
  238   1HB   PRO  36          2HB       PRO  36 -13.269   5.993   8.285
  239   2HB   PRO  36          1HB       PRO  36 -11.844   4.940   8.387
  240   1HG   PRO  36          2HG       PRO  36 -11.999   7.877   7.929
  241   2HG   PRO  36          1HG       PRO  36 -10.844   6.943   8.894
  242   1HD   PRO  36          2HD       PRO  36 -10.282   7.911   6.412
  243   2HD   PRO  36          1HD       PRO  36  -9.532   6.448   7.083
  Start of MODEL    3
    1   1H    ASP   1          1H        ASP   1  15.033   5.087  -3.077
    2   2H    ASP   1          2H        ASP   1  16.183   5.154  -1.830
    3   3H    ASP   1          3H        ASP   1  14.555   5.519  -1.507
    4    HA   ASP   1           HA       ASP   1  15.531   2.844  -2.389
    5   1HB   ASP   1          2HB       ASP   1  16.268   3.892  -0.113
    6   2HB   ASP   1          1HB       ASP   1  14.591   3.644   0.368
    7    H    GLY   2           H        GLY   2  13.557   3.350  -3.894
    8   1HA   GLY   2          2HA       GLY   2  11.418   2.368  -4.336
    9   2HA   GLY   2          1HA       GLY   2  11.163   2.194  -2.599
   10    H    GLU   3           H        GLU   3   9.938   3.761  -5.149
   11    HA   GLU   3           HA       GLU   3   9.667   6.473  -4.027
   12   1HB   GLU   3          2HB       GLU   3   9.510   5.219  -6.537
   13   2HB   GLU   3          1HB       GLU   3   7.861   5.742  -6.193
   14   1HG   GLU   3          2HG       GLU   3   9.018   7.989  -5.475
   15   2HG   GLU   3          1HG       GLU   3  10.353   7.400  -6.465
   16    H    CYS   4           H        CYS   4   7.018   7.082  -4.521
   17    HA   CYS   4           HA       CYS   4   5.667   5.700  -2.281
   18   1HB   CYS   4          2HB       CYS   4   4.727   7.739  -2.029
   19   2HB   CYS   4          1HB       CYS   4   5.771   8.300  -3.329
   20    H    GLY   5           H        GLY   5   3.634   4.643  -2.518
   21   1HA   GLY   5          2HA       GLY   5   3.280   3.206  -5.018
   22   2HA   GLY   5          1HA       GLY   5   2.288   3.027  -3.573
   23    H    GLY   6           H        GLY   6   0.320   3.103  -4.761
   24   1HA   GLY   6          2HA       GLY   6  -0.446   5.851  -5.623
   25   2HA   GLY   6          1HA       GLY   6  -0.765   4.497  -6.706
   26    H    PHE   7           H        PHE   7  -3.002   4.418  -6.619
   27    HA   PHE   7           HA       PHE   7  -4.402   4.532  -4.012
   28   1HB   PHE   7          2HB       PHE   7  -5.112   4.556  -6.932
   29   2HB   PHE   7          1HB       PHE   7  -6.367   4.192  -5.745
   30    HD1  PHE   7           HD1      PHE   7  -3.558   6.644  -6.245
   31    HD2  PHE   7           HD2      PHE   7  -7.570   5.981  -4.864
   32    HE1  PHE   7           HE1      PHE   7  -3.775   9.058  -5.725
   33    HE2  PHE   7           HE2      PHE   7  -7.789   8.397  -4.346
   34    HZ   PHE   7           HZ       PHE   7  -5.891   9.936  -4.776
   35    H    TRP   8           H        TRP   8  -3.246   2.101  -6.231
   36    HA   TRP   8           HA       TRP   8  -4.188  -0.044  -4.461
   37   1HB   TRP   8          2HB       TRP   8  -6.130   0.643  -5.964
   38   2HB   TRP   8          1HB       TRP   8  -5.175   0.072  -7.328
   39    HD1  TRP   8           HD1      TRP   8  -4.240  -2.207  -4.726
   40    HE1  TRP   8           HE1      TRP   8  -5.653  -4.362  -4.761
   41    HE3  TRP   8           HE3      TRP   8  -8.096  -0.689  -7.711
   42    HZ2  TRP   8           HZ2      TRP   8  -8.096  -5.315  -5.898
   43    HZ3  TRP   8           HZ3      TRP   8  -9.951  -2.241  -8.253
   44    HH2  TRP   8           HH2      TRP   8  -9.955  -4.549  -7.351
   45    H    TRP   9           H        TRP   9  -1.633   0.262  -4.730
   46    HA   TRP   9           HA       TRP   9  -0.584  -1.149  -7.141
   47   1HB   TRP   9          2HB       TRP   9   0.624   0.408  -4.832
   48   2HB   TRP   9          1HB       TRP   9   1.615  -0.434  -6.022
   49    HD1  TRP   9           HD1      TRP   9  -1.606   1.248  -7.156
   50    HE1  TRP   9           HE1      TRP   9  -1.025   3.281  -8.620
   51    HE3  TRP   9           HE3      TRP   9   3.454   1.411  -6.478
   52    HZ2  TRP   9           HZ2      TRP   9   1.267   4.785  -9.392
   53    HZ3  TRP   9           HZ3      TRP   9   4.811   3.158  -7.595
   54    HH2  TRP   9           HH2      TRP   9   3.724   4.842  -9.054
   55    H    LYS  10           H        LYS  10   1.006  -2.961  -6.749
   56    HA   LYS  10           HA       LYS  10   0.027  -4.735  -4.584
   57   1HB   LYS  10          2HB       LYS  10   1.416  -4.943  -7.179
   58   2HB   LYS  10          1HB       LYS  10   1.968  -6.096  -5.966
   59   1HG   LYS  10          2HG       LYS  10   0.172  -7.209  -7.030
   60   2HG   LYS  10          1HG       LYS  10  -0.538  -6.575  -5.547
   61   1HD   LYS  10          2HD       LYS  10  -1.006  -4.466  -7.129
   62   2HD   LYS  10          1HD       LYS  10  -0.967  -5.716  -8.372
   63   1HE   LYS  10          2HE       LYS  10  -2.513  -6.884  -6.380
   64   2HE   LYS  10          1HE       LYS  10  -3.025  -5.186  -6.350
   65   1HZ   LYS  10          1HZ       LYS  10  -3.228  -5.260  -8.776
   66   2HZ   LYS  10          2HZ       LYS  10  -4.254  -6.394  -8.037
   67   3HZ   LYS  10          3HZ       LYS  10  -2.810  -6.904  -8.770
   68    H    CYS  11           H        CYS  11   1.202  -5.214  -2.756
   69    HA   CYS  11           HA       CYS  11   4.116  -4.737  -2.715
   70   1HB   CYS  11          2HB       CYS  11   3.990  -3.172  -0.868
   71   2HB   CYS  11          1HB       CYS  11   2.909  -2.590  -2.130
   72    H    GLY  12           H        GLY  12   5.023  -5.482  -0.505
   73   1HA   GLY  12          2HA       GLY  12   3.752  -8.047   0.189
   74   2HA   GLY  12          1HA       GLY  12   5.325  -7.483   0.752
   75    H    ARG  13           H        ARG  13   5.218  -7.427   2.957
   76    HA   ARG  13           HA       ARG  13   2.714  -6.619   4.323
   77   1HB   ARG  13          2HB       ARG  13   4.563  -8.514   4.828
   78   2HB   ARG  13          1HB       ARG  13   5.271  -7.198   5.763
   79   1HG   ARG  13          2HG       ARG  13   2.436  -7.266   6.243
   80   2HG   ARG  13          1HG       ARG  13   3.103  -8.878   6.500
   81   1HD   ARG  13          2HD       ARG  13   4.966  -7.626   7.852
   82   2HD   ARG  13          1HD       ARG  13   3.777  -6.310   7.922
   83    HE   ARG  13           HE       ARG  13   3.191  -9.098   8.856
   84   1HH1  ARG  13          1HH2      ARG  13   3.939  -6.680  10.671
   85   2HH1  ARG  13          2HH2      ARG  13   2.370  -6.253  11.266
   86   1HH2  ARG  13          1HH1      ARG  13   0.665  -8.120   8.882
   87   2HH2  ARG  13          2HH1      ARG  13   0.512  -7.070  10.251
   88    H    GLY  14           H        GLY  14   3.535  -4.419   2.969
   89   1HA   GLY  14          2HA       GLY  14   3.864  -2.125   3.424
   90   2HA   GLY  14          1HA       GLY  14   4.240  -2.545   5.095
   91    H    LYS  15           H        LYS  15   5.857  -3.911   2.241
   92    HA   LYS  15           HA       LYS  15   8.473  -3.238   3.334
   93   1HB   LYS  15          2HB       LYS  15   7.298  -4.806   1.138
   94   2HB   LYS  15          1HB       LYS  15   8.861  -4.093   0.742
   95   1HG   LYS  15          2HG       LYS  15   9.951  -5.544   2.079
   96   2HG   LYS  15          1HG       LYS  15   8.863  -5.216   3.428
   97   1HD   LYS  15          2HD       LYS  15   7.187  -6.669   1.929
   98   2HD   LYS  15          1HD       LYS  15   8.708  -7.339   1.336
   99   1HE   LYS  15          2HE       LYS  15   9.346  -7.577   3.849
  100   2HE   LYS  15          1HE       LYS  15   7.606  -7.387   4.147
  101   1HZ   LYS  15          1HZ       LYS  15   7.174  -9.155   2.548
  102   2HZ   LYS  15          2HZ       LYS  15   8.175  -9.720   3.798
  103   3HZ   LYS  15          3HZ       LYS  15   8.839  -9.350   2.279
  104    HA   PRO  16           HA       PRO  16   8.746  -0.240  -0.367
  105   1HB   PRO  16          2HB       PRO  16   6.562   0.066  -1.992
  106   2HB   PRO  16          1HB       PRO  16   7.811  -1.165  -2.274
  107   1HG   PRO  16          2HG       PRO  16   5.114  -1.452  -1.059
  108   2HG   PRO  16          1HG       PRO  16   5.991  -2.552  -2.133
  109   1HD   PRO  16          2HD       PRO  16   5.789  -2.902   0.575
  110   2HD   PRO  16          1HD       PRO  16   7.130  -3.530  -0.405
  111    HA   PRO  17           HA       PRO  17   6.676   2.865   2.033
  112   1HB   PRO  17          2HB       PRO  17   7.703   5.081   0.793
  113   2HB   PRO  17          1HB       PRO  17   8.632   4.088   1.931
  114   1HG   PRO  17          2HG       PRO  17   8.702   4.125  -1.038
  115   2HG   PRO  17          1HG       PRO  17  10.024   3.921   0.120
  116   1HD   PRO  17          2HD       PRO  17   8.889   1.855  -1.259
  117   2HD   PRO  17          1HD       PRO  17   9.670   1.673   0.327
  118    H    CYS  18           H        CYS  18   4.466   2.792   1.489
  119    HA   CYS  18           HA       CYS  18   3.432   3.465  -1.136
  120   1HB   CYS  18          2HB       CYS  18   2.303   3.047   1.631
  121   2HB   CYS  18          1HB       CYS  18   1.263   3.577   0.309
  122    H    CYS  19           H        CYS  19   1.995   5.391  -1.530
  123    HA   CYS  19           HA       CYS  19   3.268   7.860  -0.815
  124   1HB   CYS  19          2HB       CYS  19   1.205   6.907  -2.527
  125   2HB   CYS  19          1HB       CYS  19   0.512   8.218  -1.572
  126    H    LYS  20           H        LYS  20   2.584   9.477   0.673
  127    HA   LYS  20           HA       LYS  20   1.709   8.712   3.215
  128   1HB   LYS  20          2HB       LYS  20   2.639  10.975   2.002
  129   2HB   LYS  20          1HB       LYS  20   0.971  11.441   2.338
  130   1HG   LYS  20          2HG       LYS  20   2.035  12.051   4.327
  131   2HG   LYS  20          1HG       LYS  20   1.460  10.429   4.716
  132   1HD   LYS  20          2HD       LYS  20   4.083  10.427   3.401
  133   2HD   LYS  20          1HD       LYS  20   4.083  11.293   4.937
  134   1HE   LYS  20          2HE       LYS  20   2.648   8.681   4.920
  135   2HE   LYS  20          1HE       LYS  20   4.417   8.612   4.800
  136   1HZ   LYS  20          1HZ       LYS  20   4.586  10.079   6.701
  137   2HZ   LYS  20          2HZ       LYS  20   3.674   8.708   7.117
  138   3HZ   LYS  20          3HZ       LYS  20   2.897  10.188   6.814
  139    H    GLY  21           H        GLY  21  -0.264   8.095   3.996
  140   1HA   GLY  21          2HA       GLY  21  -2.654   8.629   4.309
  141   2HA   GLY  21          1HA       GLY  21  -2.719   9.087   2.608
  142    H    TYR  22           H        TYR  22  -1.078   6.707   1.806
  143    HA   TYR  22           HA       TYR  22  -3.318   4.757   1.765
  144   1HB   TYR  22          2HB       TYR  22  -0.666   4.684   0.295
  145   2HB   TYR  22          1HB       TYR  22  -2.149   3.839  -0.134
  146    HD1  TYR  22           HD1      TYR  22  -3.987   6.301   0.541
  147    HD2  TYR  22           HD2      TYR  22  -0.450   5.812  -1.846
  148    HE1  TYR  22           HE1      TYR  22  -4.664   8.232  -0.855
  149    HE2  TYR  22           HE2      TYR  22  -1.128   7.744  -3.242
  150    HH   TYR  22           HH       TYR  22  -2.885   9.972  -2.564
  151    H    ALA  23           H        ALA  23  -2.981   2.534   2.331
  152    HA   ALA  23           HA       ALA  23  -0.553   1.979   4.014
  153   1HB   ALA  23          1HB       ALA  23  -2.458   2.435   5.443
  154   2HB   ALA  23          2HB       ALA  23  -2.181   0.693   5.466
  155   3HB   ALA  23          3HB       ALA  23  -3.487   1.366   4.489
  156    H    CYS  24           H        CYS  24   0.251  -0.166   3.853
  157    HA   CYS  24           HA       CYS  24  -0.664  -1.684   1.473
  158   1HB   CYS  24          2HB       CYS  24   1.770  -1.347   3.088
  159   2HB   CYS  24          1HB       CYS  24   1.470  -3.024   2.636
  160    H    SER  25           H        SER  25  -0.988  -4.041   1.650
  161    HA   SER  25           HA       SER  25  -1.824  -4.973   4.363
  162   1HB   SER  25          2HB       SER  25  -3.408  -4.457   1.958
  163   2HB   SER  25          1HB       SER  25  -3.632  -6.089   2.580
  164    HG   SER  25           HG       SER  25  -4.288  -3.633   3.693
  165    H    LYS  26           H        LYS  26  -0.762  -6.850   4.800
  166    HA   LYS  26           HA       LYS  26   0.655  -8.361   2.757
  167   1HB   LYS  26          2HB       LYS  26   1.348  -8.069   5.142
  168   2HB   LYS  26          1HB       LYS  26  -0.045  -9.028   5.637
  169   1HG   LYS  26          2HG       LYS  26   1.251 -10.547   3.644
  170   2HG   LYS  26          1HG       LYS  26   2.535  -9.929   4.684
  171   1HD   LYS  26          2HD       LYS  26   1.002 -10.685   6.647
  172   2HD   LYS  26          1HD       LYS  26   0.178 -11.653   5.427
  173   1HE   LYS  26          2HE       LYS  26   1.892 -13.154   5.299
  174   2HE   LYS  26          1HE       LYS  26   3.125 -11.878   5.345
  175   1HZ   LYS  26          1HZ       LYS  26   1.505 -12.764   7.678
  176   2HZ   LYS  26          2HZ       LYS  26   2.739 -11.595   7.695
  177   3HZ   LYS  26          3HZ       LYS  26   3.113 -13.224   7.387
  178    H    THR  27           H        THR  27  -2.298  -8.864   4.677
  179    HA   THR  27           HA       THR  27  -2.963 -11.483   3.725
  180    HB   THR  27           HB       THR  27  -4.850  -9.255   4.559
  181    HG1  THR  27           HG1      THR  27  -3.816  -9.285   6.370
  182   1HG2  THR  27          1HG2      THR  27  -4.956 -12.253   4.477
  183   2HG2  THR  27          2HG2      THR  27  -6.178 -11.080   3.986
  184   3HG2  THR  27          3HG2      THR  27  -5.888 -11.386   5.698
  185    H    TRP  28           H        TRP  28  -3.774  -8.233   2.540
  186    HA   TRP  28           HA       TRP  28  -5.432  -9.222   0.331
  187   1HB   TRP  28          2HB       TRP  28  -4.216  -6.501   0.935
  188   2HB   TRP  28          1HB       TRP  28  -5.486  -6.809  -0.239
  189    HD1  TRP  28           HD1      TRP  28  -6.444  -9.055   2.334
  190    HE1  TRP  28           HE1      TRP  28  -8.095  -8.016   4.014
  191    HE3  TRP  28           HE3      TRP  28  -5.837  -4.101   1.234
  192    HZ2  TRP  28           HZ2      TRP  28  -9.041  -5.437   4.788
  193    HZ3  TRP  28           HZ3      TRP  28  -7.131  -2.378   2.459
  194    HH2  TRP  28           HH2      TRP  28  -8.729  -3.042   4.233
  195    H    GLY  29           H        GLY  29  -2.196  -7.732   0.666
  196   1HA   GLY  29          2HA       GLY  29  -0.281  -8.465  -0.623
  197   2HA   GLY  29          1HA       GLY  29  -1.380  -9.077  -1.855
  198    H    TRP  30           H        TRP  30  -2.109  -5.894  -0.624
  199    HA   TRP  30           HA       TRP  30  -0.541  -4.574  -2.763
  200   1HB   TRP  30          2HB       TRP  30  -2.485  -3.774  -3.944
  201   2HB   TRP  30          1HB       TRP  30  -2.670  -5.513  -3.751
  202    HD1  TRP  30           HD1      TRP  30  -3.761  -2.280  -1.910
  203    HE1  TRP  30           HE1      TRP  30  -6.107  -2.672  -0.939
  204    HE3  TRP  30           HE3      TRP  30  -4.478  -7.151  -3.270
  205    HZ2  TRP  30           HZ2      TRP  30  -8.047  -4.767  -0.763
  206    HZ3  TRP  30           HZ3      TRP  30  -6.588  -8.317  -2.692
  207    HH2  TRP  30           HH2      TRP  30  -8.371  -7.131  -1.442
  208    H    CYS  31           H        CYS  31  -1.430  -2.112  -2.808
  209    HA   CYS  31           HA       CYS  31  -1.688  -1.178   0.032
  210   1HB   CYS  31          2HB       CYS  31   0.594  -1.000  -1.224
  211   2HB   CYS  31          1HB       CYS  31  -0.192   0.274  -2.156
  212    H    ALA  32           H        ALA  32  -3.506   0.067   0.280
  213    HA   ALA  32           HA       ALA  32  -4.500   1.611  -2.091
  214   1HB   ALA  32          1HB       ALA  32  -5.700  -0.561  -1.736
  215   2HB   ALA  32          2HB       ALA  32  -6.754   0.843  -1.571
  216   3HB   ALA  32          3HB       ALA  32  -6.169   0.005  -0.133
  217    H    VAL  33           H        VAL  33  -6.279   3.218  -1.292
  218    HA   VAL  33           HA       VAL  33  -5.113   4.881   0.797
  219    HB   VAL  33           HB       VAL  33  -7.813   5.097  -0.580
  220   1HG1  VAL  33          1HG1      VAL  33  -7.669   6.689   1.177
  221   2HG1  VAL  33          2HG1      VAL  33  -7.227   7.585  -0.276
  222   3HG1  VAL  33          3HG1      VAL  33  -5.975   7.033   0.836
  223   1HG2  VAL  33          1HG2      VAL  33  -6.071   6.792  -1.907
  224   2HG2  VAL  33          2HG2      VAL  33  -6.608   5.221  -2.502
  225   3HG2  VAL  33          3HG2      VAL  33  -5.079   5.360  -1.635
  226    H    GLU  34           H        GLU  34  -5.975   5.296   2.874
  227    HA   GLU  34           HA       GLU  34  -7.477   3.138   4.129
  228   1HB   GLU  34          2HB       GLU  34  -6.159   5.710   4.873
  229   2HB   GLU  34          1HB       GLU  34  -7.384   5.098   5.984
  230   1HG   GLU  34          2HG       GLU  34  -5.423   3.103   4.978
  231   2HG   GLU  34          1HG       GLU  34  -4.792   4.323   6.086
  232    H    ALA  35           H        ALA  35  -9.607   3.299   5.044
  233    HA   ALA  35           HA       ALA  35 -11.556   4.746   3.494
  234   1HB   ALA  35          1HB       ALA  35 -13.055   3.899   5.393
  235   2HB   ALA  35          2HB       ALA  35 -11.591   3.233   6.116
  236   3HB   ALA  35          3HB       ALA  35 -12.130   2.669   4.533
  237    HA   PRO  36           HA       PRO  36 -10.998   8.552   5.827
  238   1HB   PRO  36          2HB       PRO  36 -12.547  10.103   4.192
  239   2HB   PRO  36          1HB       PRO  36 -10.872   9.662   3.805
  240   1HG   PRO  36          2HG       PRO  36 -13.411   8.545   2.755
  241   2HG   PRO  36          1HG       PRO  36 -11.863   8.797   1.937
  242   1HD   PRO  36          2HD       PRO  36 -12.770   6.368   2.864
  243   2HD   PRO  36          1HD       PRO  36 -11.063   6.765   2.573
  Start of MODEL    4
    1   1H    ASP   1          1H        ASP   1  12.874  -0.005  -0.764
    2   2H    ASP   1          2H        ASP   1  13.712   0.109   0.709
    3   3H    ASP   1          3H        ASP   1  14.558   0.197  -0.762
    4    HA   ASP   1           HA       ASP   1  12.587   2.199   0.229
    5   1HB   ASP   1          2HB       ASP   1  14.826   1.962   1.400
    6   2HB   ASP   1          1HB       ASP   1  15.597   2.355  -0.137
    7    H    GLY   2           H        GLY   2  11.471   2.373  -1.779
    8   1HA   GLY   2          2HA       GLY   2  13.146   3.270  -4.095
    9   2HA   GLY   2          1HA       GLY   2  11.651   2.354  -4.291
   10    H    GLU   3           H        GLU   3   9.919   3.585  -4.809
   11    HA   GLU   3           HA       GLU   3   9.902   6.463  -3.948
   12   1HB   GLU   3          2HB       GLU   3   9.957   5.421  -6.463
   13   2HB   GLU   3          1HB       GLU   3   8.215   5.516  -6.205
   14   1HG   GLU   3          2HG       GLU   3   8.208   7.804  -6.181
   15   2HG   GLU   3          1HG       GLU   3   9.771   7.901  -5.372
   16    H    CYS   4           H        CYS   4   7.279   7.092  -4.409
   17    HA   CYS   4           HA       CYS   4   5.893   5.621  -2.252
   18   1HB   CYS   4          2HB       CYS   4   4.982   7.662  -1.910
   19   2HB   CYS   4          1HB       CYS   4   6.065   8.264  -3.159
   20    H    GLY   5           H        GLY   5   3.776   4.671  -2.573
   21   1HA   GLY   5          2HA       GLY   5   3.456   3.380  -5.172
   22   2HA   GLY   5          1HA       GLY   5   2.456   3.104  -3.747
   23    H    GLY   6           H        GLY   6   0.495   3.286  -4.926
   24   1HA   GLY   6          2HA       GLY   6  -0.180   6.085  -5.726
   25   2HA   GLY   6          1HA       GLY   6  -0.665   4.720  -6.731
   26    H    PHE   7           H        PHE   7  -2.899   4.834  -6.472
   27    HA   PHE   7           HA       PHE   7  -4.056   5.050  -3.755
   28   1HB   PHE   7          2HB       PHE   7  -6.089   5.485  -4.907
   29   2HB   PHE   7          1HB       PHE   7  -4.846   6.246  -5.895
   30    HD1  PHE   7           HD1      PHE   7  -7.342   3.585  -5.699
   31    HD2  PHE   7           HD2      PHE   7  -4.079   5.160  -8.007
   32    HE1  PHE   7           HE1      PHE   7  -8.051   2.213  -7.639
   33    HE2  PHE   7           HE2      PHE   7  -4.788   3.785  -9.945
   34    HZ   PHE   7           HZ       PHE   7  -6.773   2.312  -9.761
   35    H    TRP   8           H        TRP   8  -3.346   2.567  -6.111
   36    HA   TRP   8           HA       TRP   8  -4.293   0.497  -4.231
   37   1HB   TRP   8          2HB       TRP   8  -6.302   1.158  -5.513
   38   2HB   TRP   8          1HB       TRP   8  -5.440   0.865  -7.021
   39    HD1  TRP   8           HD1      TRP   8  -6.090  -1.193  -3.790
   40    HE1  TRP   8           HE1      TRP   8  -6.714  -3.592  -4.496
   41    HE3  TRP   8           HE3      TRP   8  -5.784  -0.728  -8.865
   42    HZ2  TRP   8           HZ2      TRP   8  -7.041  -5.114  -6.899
   43    HZ3  TRP   8           HZ3      TRP   8  -6.256  -2.663 -10.337
   44    HH2  TRP   8           HH2      TRP   8  -6.884  -4.855  -9.361
   45    H    TRP   9           H        TRP   9  -1.785   0.510  -4.518
   46    HA   TRP   9           HA       TRP   9  -0.898  -0.912  -6.990
   47   1HB   TRP   9          2HB       TRP   9   0.449   0.557  -4.709
   48   2HB   TRP   9          1HB       TRP   9   1.375  -0.389  -5.871
   49    HD1  TRP   9           HD1      TRP   9  -1.712   1.544  -7.000
   50    HE1  TRP   9           HE1      TRP   9  -0.983   3.460  -8.552
   51    HE3  TRP   9           HE3      TRP   9   3.362   1.243  -6.457
   52    HZ2  TRP   9           HZ2      TRP   9   1.418   4.710  -9.439
   53    HZ3  TRP   9           HZ3      TRP   9   4.841   2.816  -7.674
   54    HH2  TRP   9           HH2      TRP   9   3.877   4.543  -9.166
   55    H    LYS  10           H        LYS  10   0.873  -2.681  -6.443
   56    HA   LYS  10           HA       LYS  10  -0.384  -4.577  -4.544
   57   1HB   LYS  10          2HB       LYS  10   1.375  -4.640  -6.899
   58   2HB   LYS  10          1HB       LYS  10   1.833  -5.795  -5.646
   59   1HG   LYS  10          2HG       LYS  10  -0.368  -6.777  -5.637
   60   2HG   LYS  10          1HG       LYS  10  -0.996  -5.517  -6.700
   61   1HD   LYS  10          2HD       LYS  10   1.315  -6.750  -7.911
   62   2HD   LYS  10          1HD       LYS  10   0.146  -7.989  -7.459
   63   1HE   LYS  10          2HE       LYS  10  -0.637  -5.480  -8.979
   64   2HE   LYS  10          1HE       LYS  10  -0.210  -7.006  -9.778
   65   1HZ   LYS  10          1HZ       LYS  10  -1.863  -8.073  -8.209
   66   2HZ   LYS  10          2HZ       LYS  10  -2.523  -7.111  -9.444
   67   3HZ   LYS  10          3HZ       LYS  10  -2.415  -6.507  -7.859
   68    H    CYS  11           H        CYS  11   0.558  -5.211  -2.617
   69    HA   CYS  11           HA       CYS  11   3.368  -4.470  -2.055
   70   1HB   CYS  11          2HB       CYS  11   2.168  -2.483  -1.438
   71   2HB   CYS  11          1HB       CYS  11   0.909  -3.417  -0.636
   72    H    GLY  12           H        GLY  12   4.110  -5.486   0.010
   73   1HA   GLY  12          2HA       GLY  12   2.622  -8.014   0.536
   74   2HA   GLY  12          1HA       GLY  12   4.338  -7.760   0.858
   75    H    ARG  13           H        ARG  13   4.809  -7.498   2.982
   76    HA   ARG  13           HA       ARG  13   2.653  -6.773   4.889
   77   1HB   ARG  13          2HB       ARG  13   4.897  -8.472   4.858
   78   2HB   ARG  13          1HB       ARG  13   5.322  -7.183   5.983
   79   1HG   ARG  13          2HG       ARG  13   2.725  -8.745   6.085
   80   2HG   ARG  13          1HG       ARG  13   4.136  -9.103   7.079
   81   1HD   ARG  13          2HD       ARG  13   2.957  -6.322   7.068
   82   2HD   ARG  13          1HD       ARG  13   2.286  -7.587   8.113
   83    HE   ARG  13           HE       ARG  13   5.221  -7.012   8.155
   84   1HH1  ARG  13          1HH2      ARG  13   3.158  -5.320   9.783
   85   2HH1  ARG  13          2HH2      ARG  13   3.325  -6.064  11.339
   86   1HH2  ARG  13          1HH1      ARG  13   5.013  -8.848  10.121
   87   2HH2  ARG  13          2HH1      ARG  13   4.377  -8.065  11.530
   88    H    GLY  14           H        GLY  14   3.874  -4.727   3.013
   89   1HA   GLY  14          2HA       GLY  14   4.016  -2.357   3.503
   90   2HA   GLY  14          1HA       GLY  14   4.648  -2.756   5.101
   91    H    LYS  15           H        LYS  15   5.793  -4.279   2.118
   92    HA   LYS  15           HA       LYS  15   8.553  -3.639   2.731
   93   1HB   LYS  15          2HB       LYS  15   7.093  -5.414   1.098
   94   2HB   LYS  15          1HB       LYS  15   8.066  -4.448  -0.010
   95   1HG   LYS  15          2HG       LYS  15   9.587  -6.109   0.525
   96   2HG   LYS  15          1HG       LYS  15   9.971  -4.920   1.769
   97   1HD   LYS  15          2HD       LYS  15   8.326  -6.105   3.282
   98   2HD   LYS  15          1HD       LYS  15   8.221  -7.375   2.060
   99   1HE   LYS  15          2HE       LYS  15  10.827  -7.437   2.219
  100   2HE   LYS  15          1HE       LYS  15  10.586  -6.599   3.765
  101   1HZ   LYS  15          1HZ       LYS  15   8.958  -8.325   4.363
  102   2HZ   LYS  15          2HZ       LYS  15  10.513  -8.968   4.127
  103   3HZ   LYS  15          3HZ       LYS  15   9.322  -9.158   2.931
  104    HA   PRO  16           HA       PRO  16   8.273  -0.615  -0.935
  105   1HB   PRO  16          2HB       PRO  16   5.874  -0.269  -2.204
  106   2HB   PRO  16          1HB       PRO  16   7.035  -1.527  -2.671
  107   1HG   PRO  16          2HG       PRO  16   4.538  -1.753  -1.082
  108   2HG   PRO  16          1HG       PRO  16   5.248  -2.886  -2.238
  109   1HD   PRO  16          2HD       PRO  16   5.409  -3.148   0.497
  110   2HD   PRO  16          1HD       PRO  16   6.542  -3.882  -0.655
  111    HA   PRO  17           HA       PRO  17   6.582   2.399   1.889
  112   1HB   PRO  17          2HB       PRO  17   7.785   4.606   0.798
  113   2HB   PRO  17          1HB       PRO  17   8.643   3.448   1.834
  114   1HG   PRO  17          2HG       PRO  17   8.659   3.709  -1.127
  115   2HG   PRO  17          1HG       PRO  17   9.981   3.305  -0.022
  116   1HD   PRO  17          2HD       PRO  17   8.643   1.456  -1.521
  117   2HD   PRO  17          1HD       PRO  17   9.432   1.085   0.028
  118    H    CYS  18           H        CYS  18   4.367   2.482   1.338
  119    HA   CYS  18           HA       CYS  18   3.347   3.395  -1.201
  120   1HB   CYS  18          2HB       CYS  18   2.172   3.096   1.578
  121   2HB   CYS  18          1HB       CYS  18   1.201   3.520   0.168
  122    H    CYS  19           H        CYS  19   2.084   5.426  -1.511
  123    HA   CYS  19           HA       CYS  19   3.535   7.775  -0.724
  124   1HB   CYS  19          2HB       CYS  19   1.451   7.010  -2.488
  125   2HB   CYS  19          1HB       CYS  19   0.795   8.310  -1.493
  126    H    LYS  20           H        LYS  20   2.773   9.522   0.684
  127    HA   LYS  20           HA       LYS  20   1.914   8.753   3.251
  128   1HB   LYS  20          2HB       LYS  20   3.044  10.907   2.291
  129   2HB   LYS  20          1HB       LYS  20   1.388  11.484   2.097
  130   1HG   LYS  20          2HG       LYS  20   1.239  11.941   4.296
  131   2HG   LYS  20          1HG       LYS  20   1.701  10.292   4.707
  132   1HD   LYS  20          2HD       LYS  20   3.653  11.111   5.479
  133   2HD   LYS  20          1HD       LYS  20   4.071  11.510   3.813
  134   1HE   LYS  20          2HE       LYS  20   2.316  13.388   5.388
  135   2HE   LYS  20          1HE       LYS  20   4.077  13.433   5.598
  136   1HZ   LYS  20          1HZ       LYS  20   3.392  14.889   3.788
  137   2HZ   LYS  20          2HZ       LYS  20   2.640  13.588   2.998
  138   3HZ   LYS  20          3HZ       LYS  20   4.328  13.604   3.196
  139    H    GLY  21           H        GLY  21  -0.088   8.248   4.052
  140   1HA   GLY  21          2HA       GLY  21  -2.471   8.768   4.318
  141   2HA   GLY  21          1HA       GLY  21  -2.506   9.274   2.630
  142    H    TYR  22           H        TYR  22  -0.859   6.889   1.830
  143    HA   TYR  22           HA       TYR  22  -3.113   4.962   1.649
  144   1HB   TYR  22          2HB       TYR  22  -0.391   5.094   0.299
  145   2HB   TYR  22          1HB       TYR  22  -1.692   3.989  -0.133
  146    HD1  TYR  22           HD1      TYR  22  -3.781   4.838  -1.167
  147    HD2  TYR  22           HD2      TYR  22  -0.474   7.439  -0.309
  148    HE1  TYR  22           HE1      TYR  22  -4.758   6.571  -2.648
  149    HE2  TYR  22           HE2      TYR  22  -1.452   9.171  -1.789
  150    HH   TYR  22           HH       TYR  22  -3.370   8.806  -4.028
  151    H    ALA  23           H        ALA  23  -2.982   2.867   2.481
  152    HA   ALA  23           HA       ALA  23  -0.576   2.217   4.158
  153   1HB   ALA  23          1HB       ALA  23  -3.266   2.625   4.858
  154   2HB   ALA  23          2HB       ALA  23  -2.021   1.900   5.874
  155   3HB   ALA  23          3HB       ALA  23  -3.057   0.873   4.882
  156    H    CYS  24           H        CYS  24   0.135   0.024   4.083
  157    HA   CYS  24           HA       CYS  24  -0.632  -1.445   1.633
  158   1HB   CYS  24          2HB       CYS  24   1.716  -1.147   2.183
  159   2HB   CYS  24          1HB       CYS  24   1.467  -1.815   3.795
  160    H    SER  25           H        SER  25  -1.134  -3.774   1.761
  161    HA   SER  25           HA       SER  25  -2.303  -4.679   4.358
  162   1HB   SER  25          2HB       SER  25  -3.641  -4.519   1.645
  163   2HB   SER  25          1HB       SER  25  -4.311  -5.415   3.004
  164    HG   SER  25           HG       SER  25  -4.703  -3.571   4.043
  165    H    LYS  26           H        LYS  26  -0.858  -6.401   4.664
  166    HA   LYS  26           HA       LYS  26   0.086  -8.124   2.541
  167   1HB   LYS  26          2HB       LYS  26   1.303  -7.818   4.629
  168   2HB   LYS  26          1HB       LYS  26  -0.075  -8.397   5.561
  169   1HG   LYS  26          2HG       LYS  26   1.510 -10.215   5.385
  170   2HG   LYS  26          1HG       LYS  26   0.132 -10.603   4.356
  171   1HD   LYS  26          2HD       LYS  26   1.604  -9.326   2.532
  172   2HD   LYS  26          1HD       LYS  26   2.918  -9.843   3.588
  173   1HE   LYS  26          2HE       LYS  26   2.813 -11.876   2.588
  174   2HE   LYS  26          1HE       LYS  26   1.213 -12.090   3.324
  175   1HZ   LYS  26          1HZ       LYS  26   1.051 -12.229   0.921
  176   2HZ   LYS  26          2HZ       LYS  26   1.782 -10.705   0.755
  177   3HZ   LYS  26          3HZ       LYS  26   0.248 -10.842   1.475
  178    H    THR  27           H        THR  27  -2.610  -8.282   4.836
  179    HA   THR  27           HA       THR  27  -3.459 -10.969   4.357
  180    HB   THR  27           HB       THR  27  -5.139  -8.524   5.007
  181    HG1  THR  27           HG1      THR  27  -3.619 -10.216   6.708
  182   1HG2  THR  27          1HG2      THR  27  -6.455 -10.205   6.315
  183   2HG2  THR  27          2HG2      THR  27  -5.446 -11.475   5.620
  184   3HG2  THR  27          3HG2      THR  27  -6.479 -10.497   4.576
  185    H    TRP  28           H        TRP  28  -4.212  -7.919   2.699
  186    HA   TRP  28           HA       TRP  28  -6.078  -9.250   0.831
  187   1HB   TRP  28          2HB       TRP  28  -4.996  -6.413   0.968
  188   2HB   TRP  28          1HB       TRP  28  -6.368  -6.946   0.007
  189    HD1  TRP  28           HD1      TRP  28  -7.132  -8.928   2.721
  190    HE1  TRP  28           HE1      TRP  28  -8.548  -7.766   4.532
  191    HE3  TRP  28           HE3      TRP  28  -6.349  -4.040   1.459
  192    HZ2  TRP  28           HZ2      TRP  28  -9.265  -5.119   5.336
  193    HZ3  TRP  28           HZ3      TRP  28  -7.413  -2.222   2.763
  194    HH2  TRP  28           HH2      TRP  28  -8.868  -2.756   4.699
  195    H    GLY  29           H        GLY  29  -2.973  -7.462   0.611
  196   1HA   GLY  29          2HA       GLY  29  -1.165  -8.521  -0.751
  197   2HA   GLY  29          1HA       GLY  29  -2.410  -8.972  -1.911
  198    H    TRP  30           H        TRP  30  -2.787  -5.785  -0.564
  199    HA   TRP  30           HA       TRP  30  -1.208  -4.533  -2.739
  200   1HB   TRP  30          2HB       TRP  30  -3.119  -3.538  -3.800
  201   2HB   TRP  30          1HB       TRP  30  -3.472  -5.251  -3.621
  202    HD1  TRP  30           HD1      TRP  30  -4.126  -1.959  -1.677
  203    HE1  TRP  30           HE1      TRP  30  -6.452  -2.123  -0.599
  204    HE3  TRP  30           HE3      TRP  30  -5.411  -6.700  -3.073
  205    HZ2  TRP  30           HZ2      TRP  30  -8.591  -4.008  -0.361
  206    HZ3  TRP  30           HZ3      TRP  30  -7.602  -7.650  -2.413
  207    HH2  TRP  30           HH2      TRP  30  -9.192  -6.310  -1.060
  208    H    CYS  31           H        CYS  31  -1.823  -1.992  -2.646
  209    HA   CYS  31           HA       CYS  31  -1.939  -1.175   0.238
  210   1HB   CYS  31          2HB       CYS  31   0.371  -1.249  -0.821
  211   2HB   CYS  31          1HB       CYS  31  -0.172   0.020  -1.919
  212    H    ALA  32           H        ALA  32  -3.526   0.311   0.569
  213    HA   ALA  32           HA       ALA  32  -4.171   2.324  -1.527
  214   1HB   ALA  32          1HB       ALA  32  -5.598   0.434  -2.064
  215   2HB   ALA  32          2HB       ALA  32  -6.603   1.668  -1.302
  216   3HB   ALA  32          3HB       ALA  32  -6.078   0.262  -0.376
  217    H    VAL  33           H        VAL  33  -5.929   3.881  -0.567
  218    HA   VAL  33           HA       VAL  33  -5.023   5.036   1.863
  219    HB   VAL  33           HB       VAL  33  -7.730   5.156   0.483
  220   1HG1  VAL  33          1HG1      VAL  33  -8.267   6.172   2.477
  221   2HG1  VAL  33          2HG1      VAL  33  -7.491   7.548   1.693
  222   3HG1  VAL  33          3HG1      VAL  33  -6.589   6.567   2.847
  223   1HG2  VAL  33          1HG2      VAL  33  -5.211   6.833   0.284
  224   2HG2  VAL  33          2HG2      VAL  33  -6.766   7.331  -0.384
  225   3HG2  VAL  33          3HG2      VAL  33  -5.963   5.886  -0.998
  226    H    GLU  34           H        GLU  34  -5.470   4.592   3.998
  227    HA   GLU  34           HA       GLU  34  -6.874   2.144   4.699
  228   1HB   GLU  34          2HB       GLU  34  -4.986   3.955   5.808
  229   2HB   GLU  34          1HB       GLU  34  -6.339   3.873   6.935
  230   1HG   GLU  34          2HG       GLU  34  -5.401   1.288   5.798
  231   2HG   GLU  34          1HG       GLU  34  -4.329   2.077   6.955
  232    H    ALA  35           H        ALA  35  -7.434   5.504   5.811
  233    HA   ALA  35           HA       ALA  35 -10.342   4.826   6.099
  234   1HB   ALA  35          1HB       ALA  35  -9.508   5.361   8.220
  235   2HB   ALA  35          2HB       ALA  35 -10.102   6.928   7.671
  236   3HB   ALA  35          3HB       ALA  35  -8.381   6.558   7.580
  237    HA   PRO  36           HA       PRO  36 -11.224   7.866   3.025
  238   1HB   PRO  36          2HB       PRO  36 -13.782   8.524   3.750
  239   2HB   PRO  36          1HB       PRO  36 -13.364   6.994   2.953
  240   1HG   PRO  36          2HG       PRO  36 -13.902   7.545   5.825
  241   2HG   PRO  36          1HG       PRO  36 -14.348   6.143   4.840
  242   1HD   PRO  36          2HD       PRO  36 -12.257   6.156   6.598
  243   2HD   PRO  36          1HD       PRO  36 -12.332   5.115   5.159
  Start of MODEL    5
    1   1H    ASP   1          1H        ASP   1  15.376   1.048  -2.068
    2   2H    ASP   1          2H        ASP   1  16.041   2.356  -1.210
    3   3H    ASP   1          3H        ASP   1  15.414   2.592  -2.771
    4    HA   ASP   1           HA       ASP   1  13.174   2.024  -1.957
    5   1HB   ASP   1          2HB       ASP   1  14.218   0.575  -0.140
    6   2HB   ASP   1          1HB       ASP   1  14.557   2.064   0.744
    7    H    GLY   2           H        GLY   2  11.881   3.831  -1.508
    8   1HA   GLY   2          2HA       GLY   2  11.895   5.999  -0.052
    9   2HA   GLY   2          1HA       GLY   2  13.353   6.373  -0.972
   10    H    GLU   3           H        GLU   3  10.102   5.110  -1.776
   11    HA   GLU   3           HA       GLU   3   9.726   7.373  -3.663
   12   1HB   GLU   3          2HB       GLU   3   9.331   5.880  -5.511
   13   2HB   GLU   3          1HB       GLU   3  10.849   5.382  -4.770
   14   1HG   GLU   3          2HG       GLU   3   9.324   3.784  -3.351
   15   2HG   GLU   3          1HG       GLU   3   8.159   4.042  -4.651
   16    H    CYS   4           H        CYS   4   7.370   6.662  -4.828
   17    HA   CYS   4           HA       CYS   4   5.540   5.991  -2.551
   18   1HB   CYS   4          2HB       CYS   4   4.903   8.151  -2.636
   19   2HB   CYS   4          1HB       CYS   4   5.894   8.438  -4.062
   20    H    GLY   5           H        GLY   5   3.545   5.016  -3.189
   21   1HA   GLY   5          2HA       GLY   5   3.718   3.515  -5.727
   22   2HA   GLY   5          1HA       GLY   5   2.611   3.170  -4.397
   23    H    GLY   6           H        GLY   6   0.550   3.506  -5.062
   24   1HA   GLY   6          2HA       GLY   6  -0.137   6.105  -6.306
   25   2HA   GLY   6          1HA       GLY   6  -0.576   4.653  -7.203
   26    H    PHE   7           H        PHE   7  -2.823   4.774  -6.969
   27    HA   PHE   7           HA       PHE   7  -4.008   5.147  -4.279
   28   1HB   PHE   7          2HB       PHE   7  -5.020   4.922  -7.116
   29   2HB   PHE   7          1HB       PHE   7  -6.132   4.905  -5.749
   30    HD1  PHE   7           HD1      PHE   7  -3.395   6.889  -7.332
   31    HD2  PHE   7           HD2      PHE   7  -6.768   6.912  -4.672
   32    HE1  PHE   7           HE1      PHE   7  -3.275   9.362  -7.204
   33    HE2  PHE   7           HE2      PHE   7  -6.649   9.388  -4.543
   34    HZ   PHE   7           HZ       PHE   7  -4.901  10.613  -5.809
   35    H    TRP   8           H        TRP   8  -3.539   2.599  -6.683
   36    HA   TRP   8           HA       TRP   8  -4.364   0.587  -4.645
   37   1HB   TRP   8          2HB       TRP   8  -6.164   1.450  -6.418
   38   2HB   TRP   8          1HB       TRP   8  -5.338   0.302  -7.466
   39    HD1  TRP   8           HD1      TRP   8  -4.671  -1.888  -5.232
   40    HE1  TRP   8           HE1      TRP   8  -6.583  -3.348  -4.308
   41    HE3  TRP   8           HE3      TRP   8  -8.678   1.039  -6.435
   42    HZ2  TRP   8           HZ2      TRP   8  -9.434  -3.283  -4.102
   43    HZ3  TRP   8           HZ3      TRP   8 -10.979   0.316  -5.865
   44    HH2  TRP   8           HH2      TRP   8 -11.361  -1.839  -4.701
   45    H    TRP   9           H        TRP   9  -1.850   0.588  -4.848
   46    HA   TRP   9           HA       TRP   9  -0.888  -0.916  -7.244
   47   1HB   TRP   9          2HB       TRP   9   0.385   0.656  -4.995
   48   2HB   TRP   9          1HB       TRP   9   1.352  -0.338  -6.083
   49    HD1  TRP   9           HD1      TRP   9  -1.711   1.581  -7.339
   50    HE1  TRP   9           HE1      TRP   9  -0.933   3.407  -8.975
   51    HE3  TRP   9           HE3      TRP   9   3.351   1.196  -6.756
   52    HZ2  TRP   9           HZ2      TRP   9   1.498   4.561  -9.903
   53    HZ3  TRP   9           HZ3      TRP   9   4.871   2.677  -8.034
   54    HH2  TRP   9           HH2      TRP   9   3.953   4.355  -9.611
   55    H    LYS  10           H        LYS  10   0.911  -2.620  -6.570
   56    HA   LYS  10           HA       LYS  10  -0.380  -4.488  -4.668
   57   1HB   LYS  10          2HB       LYS  10   1.554  -4.562  -6.906
   58   2HB   LYS  10          1HB       LYS  10   1.869  -5.725  -5.617
   59   1HG   LYS  10          2HG       LYS  10  -0.242  -6.758  -5.868
   60   2HG   LYS  10          1HG       LYS  10  -0.893  -5.400  -6.785
   61   1HD   LYS  10          2HD       LYS  10  -0.440  -6.799  -8.553
   62   2HD   LYS  10          1HD       LYS  10   1.149  -6.046  -8.409
   63   1HE   LYS  10          2HE       LYS  10   1.586  -8.003  -6.674
   64   2HE   LYS  10          1HE       LYS  10   0.281  -8.798  -7.576
   65   1HZ   LYS  10          1HZ       LYS  10   1.451  -8.264  -9.641
   66   2HZ   LYS  10          2HZ       LYS  10   2.403  -9.241  -8.628
   67   3HZ   LYS  10          3HZ       LYS  10   2.724  -7.577  -8.753
   68    H    CYS  11           H        CYS  11   0.489  -5.059  -2.694
   69    HA   CYS  11           HA       CYS  11   3.248  -4.259  -2.013
   70   1HB   CYS  11          2HB       CYS  11   1.955  -2.275  -1.528
   71   2HB   CYS  11          1HB       CYS  11   0.725  -3.221  -0.694
   72    H    GLY  12           H        GLY  12   3.907  -5.216   0.100
   73   1HA   GLY  12          2HA       GLY  12   2.436  -7.750   0.630
   74   2HA   GLY  12          1HA       GLY  12   4.114  -7.432   1.072
   75    H    ARG  13           H        ARG  13   4.415  -7.060   3.213
   76    HA   ARG  13           HA       ARG  13   2.104  -6.337   4.930
   77   1HB   ARG  13          2HB       ARG  13   3.782  -8.183   5.402
   78   2HB   ARG  13          1HB       ARG  13   5.004  -6.934   5.621
   79   1HG   ARG  13          2HG       ARG  13   4.015  -7.675   7.782
   80   2HG   ARG  13          1HG       ARG  13   3.737  -5.964   7.473
   81   1HD   ARG  13          2HD       ARG  13   1.454  -6.514   6.618
   82   2HD   ARG  13          1HD       ARG  13   1.738  -8.213   7.041
   83    HE   ARG  13           HE       ARG  13   1.489  -5.973   8.979
   84   1HH1  ARG  13          1HH1      ARG  13   3.586  -7.774   9.993
   85   2HH1  ARG  13          2HH1      ARG  13   2.692  -8.976  10.862
   86   1HH2  ARG  13          1HH2      ARG  13  -0.340  -8.180   9.360
   87   2HH2  ARG  13          2HH2      ARG  13   0.460  -9.206  10.502
   88    H    GLY  14           H        GLY  14   3.617  -4.410   3.001
   89   1HA   GLY  14          2HA       GLY  14   3.571  -1.987   3.340
   90   2HA   GLY  14          1HA       GLY  14   4.053  -2.256   5.016
   91    H    LYS  15           H        LYS  15   5.501  -3.902   2.231
   92    HA   LYS  15           HA       LYS  15   8.172  -3.106   3.077
   93   1HB   LYS  15          2HB       LYS  15   7.010  -5.186   1.669
   94   2HB   LYS  15          1HB       LYS  15   7.865  -4.292   0.412
   95   1HG   LYS  15          2HG       LYS  15   9.616  -5.590   1.130
   96   2HG   LYS  15          1HG       LYS  15   9.779  -4.281   2.300
   97   1HD   LYS  15          2HD       LYS  15   9.117  -5.587   4.038
   98   2HD   LYS  15          1HD       LYS  15   7.845  -6.359   3.090
   99   1HE   LYS  15          2HE       LYS  15   9.293  -8.167   3.352
  100   2HE   LYS  15          1HE       LYS  15   9.961  -7.471   1.864
  101   1HZ   LYS  15          1HZ       LYS  15  11.442  -6.103   3.244
  102   2HZ   LYS  15          2HZ       LYS  15  11.716  -7.764   3.480
  103   3HZ   LYS  15          3HZ       LYS  15  10.852  -6.869   4.639
  104    HA   PRO  16           HA       PRO  16   8.138  -0.584  -0.988
  105   1HB   PRO  16          2HB       PRO  16   5.783  -0.337  -2.359
  106   2HB   PRO  16          1HB       PRO  16   6.932  -1.659  -2.646
  107   1HG   PRO  16          2HG       PRO  16   4.395  -1.657  -1.101
  108   2HG   PRO  16          1HG       PRO  16   5.095  -2.922  -2.121
  109   1HD   PRO  16          2HD       PRO  16   5.200  -2.923   0.619
  110   2HD   PRO  16          1HD       PRO  16   6.367  -3.763  -0.422
  111    HA   PRO  17           HA       PRO  17   6.485   2.789   1.413
  112   1HB   PRO  17          2HB       PRO  17   7.751   4.821   0.085
  113   2HB   PRO  17          1HB       PRO  17   8.580   3.762   1.244
  114   1HG   PRO  17          2HG       PRO  17   8.569   3.666  -1.732
  115   2HG   PRO  17          1HG       PRO  17   9.905   3.400  -0.600
  116   1HD   PRO  17          2HD       PRO  17   8.564   1.371  -1.817
  117   2HD   PRO  17          1HD       PRO  17   9.320   1.214  -0.215
  118    H    CYS  18           H        CYS  18   4.284   2.975   0.893
  119    HA   CYS  18           HA       CYS  18   3.323   3.655  -1.773
  120   1HB   CYS  18          2HB       CYS  18   2.031   3.570   0.978
  121   2HB   CYS  18          1HB       CYS  18   1.135   3.785  -0.524
  122    H    CYS  19           H        CYS  19   1.926   5.685  -2.079
  123    HA   CYS  19           HA       CYS  19   3.433   8.063  -1.525
  124   1HB   CYS  19          2HB       CYS  19   1.149   7.221  -3.023
  125   2HB   CYS  19          1HB       CYS  19   0.680   8.637  -2.085
  126    H    LYS  20           H        LYS  20   2.550   9.969  -0.284
  127    HA   LYS  20           HA       LYS  20   1.999   9.309   2.430
  128   1HB   LYS  20          2HB       LYS  20   2.685  11.556   0.847
  129   2HB   LYS  20          1HB       LYS  20   1.225  12.004   1.728
  130   1HG   LYS  20          2HG       LYS  20   3.185  12.569   3.070
  131   2HG   LYS  20          1HG       LYS  20   2.309  11.248   3.842
  132   1HD   LYS  20          2HD       LYS  20   4.203  10.035   3.808
  133   2HD   LYS  20          1HD       LYS  20   4.125  10.034   2.047
  134   1HE   LYS  20          2HE       LYS  20   5.329  12.239   2.038
  135   2HE   LYS  20          1HE       LYS  20   5.521  12.088   3.797
  136   1HZ   LYS  20          1HZ       LYS  20   6.437  10.118   1.764
  137   2HZ   LYS  20          2HZ       LYS  20   6.559   9.916   3.448
  138   3HZ   LYS  20          3HZ       LYS  20   7.436  11.147   2.670
  139    H    GLY  21           H        GLY  21   0.060   8.789   3.364
  140   1HA   GLY  21          2HA       GLY  21  -2.287   9.240   3.810
  141   2HA   GLY  21          1HA       GLY  21  -2.448   9.859   2.169
  142    H    TYR  22           H        TYR  22  -0.621   7.030   2.051
  143    HA   TYR  22           HA       TYR  22  -3.061   5.388   1.441
  144   1HB   TYR  22          2HB       TYR  22  -0.276   5.400   0.221
  145   2HB   TYR  22          1HB       TYR  22  -1.561   4.282  -0.232
  146    HD1  TYR  22           HD1      TYR  22  -0.572   7.862  -0.171
  147    HD2  TYR  22           HD2      TYR  22  -3.354   4.959  -1.682
  148    HE1  TYR  22           HE1      TYR  22  -1.477   9.549  -1.742
  149    HE2  TYR  22           HE2      TYR  22  -4.258   6.651  -3.251
  150    HH   TYR  22           HH       TYR  22  -4.033   9.709  -2.984
  151    H    ALA  23           H        ALA  23  -2.966   3.157   2.110
  152    HA   ALA  23           HA       ALA  23  -0.710   2.493   3.974
  153   1HB   ALA  23          1HB       ALA  23  -3.707   2.296   4.257
  154   2HB   ALA  23          2HB       ALA  23  -2.541   3.014   5.369
  155   3HB   ALA  23          3HB       ALA  23  -2.649   1.260   5.217
  156    H    CYS  24           H        CYS  24  -0.046   0.312   3.964
  157    HA   CYS  24           HA       CYS  24  -0.770  -1.231   1.549
  158   1HB   CYS  24          2HB       CYS  24   1.567  -0.901   2.217
  159   2HB   CYS  24          1HB       CYS  24   1.238  -1.620   3.792
  160    H    SER  25           H        SER  25  -1.273  -3.564   1.752
  161    HA   SER  25           HA       SER  25  -2.542  -4.350   4.340
  162   1HB   SER  25          2HB       SER  25  -4.118  -3.297   2.610
  163   2HB   SER  25          1HB       SER  25  -3.825  -4.731   1.630
  164    HG   SER  25           HG       SER  25  -5.341  -4.407   3.885
  165    H    LYS  26           H        LYS  26  -1.442  -6.206   4.887
  166    HA   LYS  26           HA       LYS  26  -0.169  -7.934   2.926
  167   1HB   LYS  26          2HB       LYS  26   0.686  -7.581   5.202
  168   2HB   LYS  26          1HB       LYS  26  -0.796  -8.251   5.880
  169   1HG   LYS  26          2HG       LYS  26   0.829 -10.016   5.923
  170   2HG   LYS  26          1HG       LYS  26  -0.279 -10.388   4.604
  171   1HD   LYS  26          2HD       LYS  26   1.314  -9.339   3.004
  172   2HD   LYS  26          1HD       LYS  26   2.438  -9.065   4.335
  173   1HE   LYS  26          2HE       LYS  26   1.412 -11.851   4.029
  174   2HE   LYS  26          1HE       LYS  26   2.566 -11.283   2.807
  175   1HZ   LYS  26          1HZ       LYS  26   4.044 -10.553   4.560
  176   2HZ   LYS  26          2HZ       LYS  26   3.699 -12.204   4.757
  177   3HZ   LYS  26          3HZ       LYS  26   2.942 -11.051   5.749
  178    H    THR  27           H        THR  27  -3.142  -8.124   4.878
  179    HA   THR  27           HA       THR  27  -3.899 -10.799   4.141
  180    HB   THR  27           HB       THR  27  -5.759  -8.497   4.791
  181    HG1  THR  27           HG1      THR  27  -4.046  -9.993   6.490
  182   1HG2  THR  27          1HG2      THR  27  -7.281 -10.104   5.309
  183   2HG2  THR  27          2HG2      THR  27  -6.066 -11.152   6.043
  184   3HG2  THR  27          3HG2      THR  27  -6.275 -11.138   4.293
  185    H    TRP  28           H        TRP  28  -4.543  -7.632   2.682
  186    HA   TRP  28           HA       TRP  28  -6.309  -8.743   0.610
  187   1HB   TRP  28          2HB       TRP  28  -5.052  -6.016   1.067
  188   2HB   TRP  28          1HB       TRP  28  -6.280  -6.357  -0.145
  189    HD1  TRP  28           HD1      TRP  28  -7.337  -8.496   2.475
  190    HE1  TRP  28           HE1      TRP  28  -9.053  -7.394   4.046
  191    HE3  TRP  28           HE3      TRP  28  -6.677  -3.593   1.205
  192    HZ2  TRP  28           HZ2      TRP  28 -10.032  -4.782   4.671
  193    HZ3  TRP  28           HZ3      TRP  28  -8.014  -1.821   2.303
  194    HH2  TRP  28           HH2      TRP  28  -9.690  -2.411   4.034
  195    H    GLY  29           H        GLY  29  -3.038  -7.286   0.721
  196   1HA   GLY  29          2HA       GLY  29  -1.207  -8.253  -0.579
  197   2HA   GLY  29          1HA       GLY  29  -2.388  -8.801  -1.764
  198    H    TRP  30           H        TRP  30  -2.771  -5.538  -0.570
  199    HA   TRP  30           HA       TRP  30  -1.184  -4.414  -2.799
  200   1HB   TRP  30          2HB       TRP  30  -3.103  -3.408  -3.882
  201   2HB   TRP  30          1HB       TRP  30  -3.410  -5.130  -3.710
  202    HD1  TRP  30           HD1      TRP  30  -4.162  -1.876  -1.747
  203    HE1  TRP  30           HE1      TRP  30  -6.507  -2.092  -0.723
  204    HE3  TRP  30           HE3      TRP  30  -5.342  -6.618  -3.234
  205    HZ2  TRP  30           HZ2      TRP  30  -8.623  -4.016  -0.557
  206    HZ3  TRP  30           HZ3      TRP  30  -7.532  -7.612  -2.634
  207    HH2  TRP  30           HH2      TRP  30  -9.171  -6.318  -1.298
  208    H    CYS  31           H        CYS  31  -1.866  -1.844  -2.816
  209    HA   CYS  31           HA       CYS  31  -1.944  -0.923   0.036
  210   1HB   CYS  31          2HB       CYS  31   0.375  -1.089  -1.010
  211   2HB   CYS  31          1HB       CYS  31  -0.132   0.168  -2.138
  212    H    ALA  32           H        ALA  32  -3.520   0.578   0.291
  213    HA   ALA  32           HA       ALA  32  -4.098   2.555  -1.856
  214   1HB   ALA  32          1HB       ALA  32  -5.579   0.780  -2.446
  215   2HB   ALA  32          2HB       ALA  32  -6.577   1.912  -1.533
  216   3HB   ALA  32          3HB       ALA  32  -5.973   0.447  -0.760
  217    H    VAL  33           H        VAL  33  -5.701   4.247  -0.962
  218    HA   VAL  33           HA       VAL  33  -4.846   5.315   1.522
  219    HB   VAL  33           HB       VAL  33  -7.445   5.642  -0.020
  220   1HG1  VAL  33          1HG1      VAL  33  -6.260   7.216   2.281
  221   2HG1  VAL  33          2HG1      VAL  33  -7.854   6.469   2.195
  222   3HG1  VAL  33          3HG1      VAL  33  -7.488   7.880   1.204
  223   1HG2  VAL  33          1HG2      VAL  33  -4.770   7.050  -0.025
  224   2HG2  VAL  33          2HG2      VAL  33  -6.223   7.818  -0.662
  225   3HG2  VAL  33          3HG2      VAL  33  -5.623   6.328  -1.389
  226    H    GLU  34           H        GLU  34  -5.643   5.123   3.645
  227    HA   GLU  34           HA       GLU  34  -6.839   2.657   4.446
  228   1HB   GLU  34          2HB       GLU  34  -5.765   5.061   5.602
  229   2HB   GLU  34          1HB       GLU  34  -7.271   4.658   6.427
  230   1HG   GLU  34          2HG       GLU  34  -5.233   2.517   5.872
  231   2HG   GLU  34          1HG       GLU  34  -5.046   3.577   7.269
  232    H    ALA  35           H        ALA  35  -8.858   2.206   3.572
  233    HA   ALA  35           HA       ALA  35 -10.984   4.189   3.384
  234   1HB   ALA  35          1HB       ALA  35 -12.168   1.746   3.051
  235   2HB   ALA  35          2HB       ALA  35 -10.484   1.348   2.716
  236   3HB   ALA  35          3HB       ALA  35 -11.298   2.597   1.775
  237    HA   PRO  36           HA       PRO  36 -12.917   1.726   7.012
  238   1HB   PRO  36          2HB       PRO  36 -11.370  -0.116   8.322
  239   2HB   PRO  36          1HB       PRO  36 -12.391  -0.523   6.927
  240   1HG   PRO  36          2HG       PRO  36  -9.458  -0.026   7.042
  241   2HG   PRO  36          1HG       PRO  36 -10.365  -1.227   6.109
  242   1HD   PRO  36          2HD       PRO  36  -9.392   1.072   5.034
  243   2HD   PRO  36          1HD       PRO  36 -10.846   0.250   4.424
  Start of MODEL    6
    1   1H    ASP   1          1H        ASP   1  11.564  12.808  -5.557
    2   2H    ASP   1          2H        ASP   1  12.748  12.330  -4.433
    3   3H    ASP   1          3H        ASP   1  11.419  13.262  -3.929
    4    HA   ASP   1           HA       ASP   1   9.908  11.423  -4.460
    5   1HB   ASP   1          2HB       ASP   1  12.543  10.399  -5.465
    6   2HB   ASP   1          1HB       ASP   1  11.355   9.232  -4.885
    7    H    GLY   2           H        GLY   2   9.530   9.715  -2.837
    8   1HA   GLY   2          2HA       GLY   2  11.533   9.539  -0.645
    9   2HA   GLY   2          1HA       GLY   2   9.917  10.120  -0.243
   10    H    GLU   3           H        GLU   3  10.880   7.532  -2.506
   11    HA   GLU   3           HA       GLU   3  10.217   5.280  -2.634
   12   1HB   GLU   3          2HB       GLU   3  10.991   5.939   0.108
   13   2HB   GLU   3          1HB       GLU   3   9.886   4.566   0.044
   14   1HG   GLU   3          2HG       GLU   3  11.323   3.424  -1.559
   15   2HG   GLU   3          1HG       GLU   3  12.391   4.824  -1.644
   16    H    CYS   4           H        CYS   4   8.133   5.766  -3.583
   17    HA   CYS   4           HA       CYS   4   5.846   5.235  -1.730
   18   1HB   CYS   4          2HB       CYS   4   5.465   7.480  -1.898
   19   2HB   CYS   4          1HB       CYS   4   6.493   7.643  -3.315
   20    H    GLY   5           H        GLY   5   3.917   4.452  -2.894
   21   1HA   GLY   5          2HA       GLY   5   4.629   3.028  -5.414
   22   2HA   GLY   5          1HA       GLY   5   3.390   2.499  -4.277
   23    H    GLY   6           H        GLY   6   1.322   3.021  -4.796
   24   1HA   GLY   6          2HA       GLY   6   0.724   5.541  -6.202
   25   2HA   GLY   6          1HA       GLY   6   0.328   4.067  -7.083
   26    H    PHE   7           H        PHE   7  -1.964   4.434  -6.968
   27    HA   PHE   7           HA       PHE   7  -3.229   4.711  -4.305
   28   1HB   PHE   7          2HB       PHE   7  -3.832   5.790  -6.656
   29   2HB   PHE   7          1HB       PHE   7  -4.730   4.287  -6.868
   30    HD1  PHE   7           HD1      PHE   7  -4.729   7.548  -5.357
   31    HD2  PHE   7           HD2      PHE   7  -6.360   3.589  -4.989
   32    HE1  PHE   7           HE1      PHE   7  -6.544   8.428  -3.914
   33    HE2  PHE   7           HE2      PHE   7  -8.173   4.471  -3.545
   34    HZ   PHE   7           HZ       PHE   7  -8.266   6.890  -3.008
   35    H    TRP   8           H        TRP   8  -2.916   2.289  -6.877
   36    HA   TRP   8           HA       TRP   8  -3.956   0.224  -4.976
   37   1HB   TRP   8          2HB       TRP   8  -5.751   0.948  -6.517
   38   2HB   TRP   8          1HB       TRP   8  -4.705   0.631  -7.897
   39    HD1  TRP   8           HD1      TRP   8  -4.326  -1.876  -8.619
   40    HE1  TRP   8           HE1      TRP   8  -5.534  -4.070  -8.016
   41    HE3  TRP   8           HE3      TRP   8  -7.001  -0.324  -4.552
   42    HZ2  TRP   8           HZ2      TRP   8  -7.390  -5.039  -6.074
   43    HZ3  TRP   8           HZ3      TRP   8  -8.485  -1.904  -3.350
   44    HH2  TRP   8           HH2      TRP   8  -8.682  -4.258  -4.106
   45    H    TRP   9           H        TRP   9  -1.546  -0.087  -4.789
   46    HA   TRP   9           HA       TRP   9  -0.322  -1.430  -7.175
   47   1HB   TRP   9          2HB       TRP   9   0.707   0.081  -4.771
   48   2HB   TRP   9          1HB       TRP   9   1.782  -0.966  -5.694
   49    HD1  TRP   9           HD1      TRP   9  -1.005   1.126  -7.305
   50    HE1  TRP   9           HE1      TRP   9   0.067   2.854  -8.877
   51    HE3  TRP   9           HE3      TRP   9   3.931   0.362  -6.229
   52    HZ2  TRP   9           HZ2      TRP   9   2.656   3.803  -9.575
   53    HZ3  TRP   9           HZ3      TRP   9   5.675   1.701  -7.368
   54    HH2  TRP   9           HH2      TRP   9   5.047   3.416  -9.042
   55    H    LYS  10           H        LYS  10   1.158  -3.321  -6.570
   56    HA   LYS  10           HA       LYS  10  -0.268  -5.079  -4.650
   57   1HB   LYS  10          2HB       LYS  10   1.538  -5.340  -6.993
   58   2HB   LYS  10          1HB       LYS  10   1.691  -6.595  -5.762
   59   1HG   LYS  10          2HG       LYS  10  -0.297  -7.519  -6.304
   60   2HG   LYS  10          1HG       LYS  10  -1.101  -5.949  -6.355
   61   1HD   LYS  10          2HD       LYS  10   0.682  -6.094  -8.585
   62   2HD   LYS  10          1HD       LYS  10  -0.271  -7.578  -8.556
   63   1HE   LYS  10          2HE       LYS  10  -1.682  -4.959  -8.114
   64   2HE   LYS  10          1HE       LYS  10  -1.242  -5.435  -9.767
   65   1HZ   LYS  10          1HZ       LYS  10  -2.721  -7.132  -7.821
   66   2HZ   LYS  10          2HZ       LYS  10  -2.294  -7.578  -9.403
   67   3HZ   LYS  10          3HZ       LYS  10  -3.415  -6.328  -9.142
   68    H    CYS  11           H        CYS  11   0.626  -5.779  -2.734
   69    HA   CYS  11           HA       CYS  11   3.515  -5.404  -2.233
   70   1HB   CYS  11          2HB       CYS  11   3.114  -3.987  -0.291
   71   2HB   CYS  11          1HB       CYS  11   2.308  -3.264  -1.682
   72    H    GLY  12           H        GLY  12   4.112  -6.399  -0.050
   73   1HA   GLY  12          2HA       GLY  12   2.451  -8.824   0.407
   74   2HA   GLY  12          1HA       GLY  12   4.127  -8.618   0.916
   75    H    ARG  13           H        ARG  13   4.351  -8.349   3.078
   76    HA   ARG  13           HA       ARG  13   2.029  -7.490   4.713
   77   1HB   ARG  13          2HB       ARG  13   4.245  -9.249   4.963
   78   2HB   ARG  13          1HB       ARG  13   4.493  -7.978   6.159
   79   1HG   ARG  13          2HG       ARG  13   1.905  -9.525   5.833
   80   2HG   ARG  13          1HG       ARG  13   3.145  -9.908   7.026
   81   1HD   ARG  13          2HD       ARG  13   2.326  -7.066   7.027
   82   2HD   ARG  13          1HD       ARG  13   1.047  -8.200   7.500
   83    HE   ARG  13           HE       ARG  13   3.581  -8.862   8.755
   84   1HH1  ARG  13          1HH1      ARG  13   3.156  -5.941   9.397
   85   2HH1  ARG  13          2HH1      ARG  13   2.239  -6.032  10.864
   86   1HH2  ARG  13          1HH2      ARG  13   1.384  -9.372  10.434
   87   2HH2  ARG  13          2HH2      ARG  13   1.234  -7.979  11.452
   88    H    GLY  14           H        GLY  14   3.242  -5.447   3.017
   89   1HA   GLY  14          2HA       GLY  14   3.512  -3.106   3.480
   90   2HA   GLY  14          1HA       GLY  14   4.005  -3.511   5.124
   91    H    LYS  15           H        LYS  15   5.297  -4.970   2.148
   92    HA   LYS  15           HA       LYS  15   8.028  -4.399   3.022
   93   1HB   LYS  15          2HB       LYS  15   6.716  -6.297   1.452
   94   2HB   LYS  15          1HB       LYS  15   7.687  -5.383   0.296
   95   1HG   LYS  15          2HG       LYS  15   9.562  -5.663   2.153
   96   2HG   LYS  15          1HG       LYS  15   8.577  -7.053   2.617
   97   1HD   LYS  15          2HD       LYS  15   8.984  -8.178   0.640
   98   2HD   LYS  15          1HD       LYS  15   9.200  -6.691  -0.284
   99   1HE   LYS  15          2HE       LYS  15  11.366  -6.332   1.017
  100   2HE   LYS  15          1HE       LYS  15  11.179  -7.993   1.611
  101   1HZ   LYS  15          1HZ       LYS  15  11.200  -7.164  -1.247
  102   2HZ   LYS  15          2HZ       LYS  15  10.985  -8.752  -0.682
  103   3HZ   LYS  15          3HZ       LYS  15  12.466  -7.954  -0.441
  104    HA   PRO  16           HA       PRO  16   8.100  -1.605  -0.837
  105   1HB   PRO  16          2HB       PRO  16   5.797  -1.238  -2.267
  106   2HB   PRO  16          1HB       PRO  16   6.933  -2.562  -2.591
  107   1HG   PRO  16          2HG       PRO  16   4.336  -2.605  -1.162
  108   2HG   PRO  16          1HG       PRO  16   5.078  -3.833  -2.197
  109   1HD   PRO  16          2HD       PRO  16   5.041  -3.915   0.560
  110   2HD   PRO  16          1HD       PRO  16   6.205  -4.782  -0.461
  111    HA   PRO  17           HA       PRO  17   6.355   1.588   1.768
  112   1HB   PRO  17          2HB       PRO  17   7.917   3.636   0.848
  113   2HB   PRO  17          1HB       PRO  17   8.503   2.414   1.994
  114   1HG   PRO  17          2HG       PRO  17   8.947   2.625  -0.938
  115   2HG   PRO  17          1HG       PRO  17  10.056   2.105   0.338
  116   1HD   PRO  17          2HD       PRO  17   8.743   0.383  -1.329
  117   2HD   PRO  17          1HD       PRO  17   9.290  -0.047   0.306
  118    H    CYS  18           H        CYS  18   4.337   2.285   1.159
  119    HA   CYS  18           HA       CYS  18   3.763   3.148  -1.590
  120   1HB   CYS  18          2HB       CYS  18   2.104   3.062   0.954
  121   2HB   CYS  18          1HB       CYS  18   1.462   3.334  -0.665
  122    H    CYS  19           H        CYS  19   2.230   5.273  -1.589
  123    HA   CYS  19           HA       CYS  19   3.943   7.510  -0.884
  124   1HB   CYS  19          2HB       CYS  19   1.527   6.932  -2.398
  125   2HB   CYS  19          1HB       CYS  19   1.348   8.426  -1.481
  126    H    LYS  20           H        LYS  20   3.313   9.278   0.593
  127    HA   LYS  20           HA       LYS  20   2.605   8.494   3.198
  128   1HB   LYS  20          2HB       LYS  20   3.179  10.899   1.704
  129   2HB   LYS  20          1HB       LYS  20   1.863  11.209   2.836
  130   1HG   LYS  20          2HG       LYS  20   3.230  11.051   4.636
  131   2HG   LYS  20          1HG       LYS  20   4.032   9.613   4.005
  132   1HD   LYS  20          2HD       LYS  20   5.448  10.972   2.568
  133   2HD   LYS  20          1HD       LYS  20   4.579  12.434   3.036
  134   1HE   LYS  20          2HE       LYS  20   5.334  12.163   5.369
  135   2HE   LYS  20          1HE       LYS  20   6.183  10.670   4.924
  136   1HZ   LYS  20          1HZ       LYS  20   7.483  11.901   3.321
  137   2HZ   LYS  20          2HZ       LYS  20   7.660  12.610   4.855
  138   3HZ   LYS  20          3HZ       LYS  20   6.656  13.336   3.691
  139    H    GLY  21           H        GLY  21   0.653   7.826   3.994
  140   1HA   GLY  21          2HA       GLY  21  -1.712   8.305   4.455
  141   2HA   GLY  21          1HA       GLY  21  -1.843   8.992   2.836
  142    H    TYR  22           H        TYR  22  -0.214   6.700   1.727
  143    HA   TYR  22           HA       TYR  22  -2.465   4.819   1.339
  144   1HB   TYR  22          2HB       TYR  22   0.314   5.115   0.142
  145   2HB   TYR  22          1HB       TYR  22  -0.859   3.912  -0.387
  146    HD1  TYR  22           HD1      TYR  22  -0.189   7.562  -0.135
  147    HD2  TYR  22           HD2      TYR  22  -2.712   4.503  -1.786
  148    HE1  TYR  22           HE1      TYR  22  -1.240   9.238  -1.630
  149    HE2  TYR  22           HE2      TYR  22  -3.763   6.181  -3.278
  150    HH   TYR  22           HH       TYR  22  -2.668   8.756  -4.210
  151    H    ALA  23           H        ALA  23  -2.490   2.752   2.236
  152    HA   ALA  23           HA       ALA  23  -0.042   1.873   3.740
  153   1HB   ALA  23          1HB       ALA  23  -1.802   2.587   5.250
  154   2HB   ALA  23          2HB       ALA  23  -1.719   0.827   5.307
  155   3HB   ALA  23          3HB       ALA  23  -2.994   1.621   4.382
  156    H    CYS  24           H        CYS  24   0.450  -0.366   3.634
  157    HA   CYS  24           HA       CYS  24  -0.665  -1.779   1.289
  158   1HB   CYS  24          2HB       CYS  24   1.708  -1.780   1.515
  159   2HB   CYS  24          1HB       CYS  24   1.620  -2.200   3.224
  160    H    SER  25           H        SER  25  -1.394  -4.016   1.482
  161    HA   SER  25           HA       SER  25  -2.400  -4.798   4.183
  162   1HB   SER  25          2HB       SER  25  -3.865  -4.217   1.647
  163   2HB   SER  25          1HB       SER  25  -4.475  -5.517   2.664
  164    HG   SER  25           HG       SER  25  -5.156  -4.078   4.031
  165    H    LYS  26           H        LYS  26  -1.413  -6.756   4.547
  166    HA   LYS  26           HA       LYS  26  -0.500  -8.509   2.426
  167   1HB   LYS  26          2HB       LYS  26   0.464  -8.302   4.735
  168   2HB   LYS  26          1HB       LYS  26  -0.994  -9.064   5.371
  169   1HG   LYS  26          2HG       LYS  26  -0.121 -10.732   3.270
  170   2HG   LYS  26          1HG       LYS  26   1.330 -10.308   4.177
  171   1HD   LYS  26          2HD       LYS  26   0.595 -12.136   5.403
  172   2HD   LYS  26          1HD       LYS  26  -0.215 -10.829   6.267
  173   1HE   LYS  26          2HE       LYS  26  -2.225 -11.202   4.754
  174   2HE   LYS  26          1HE       LYS  26  -1.415 -12.671   4.173
  175   1HZ   LYS  26          1HZ       LYS  26  -2.844 -13.153   6.075
  176   2HZ   LYS  26          2HZ       LYS  26  -1.992 -12.026   7.019
  177   3HZ   LYS  26          3HZ       LYS  26  -1.215 -13.430   6.456
  178    H    THR  27           H        THR  27  -3.318  -8.474   4.590
  179    HA   THR  27           HA       THR  27  -4.464 -10.989   3.843
  180    HB   THR  27           HB       THR  27  -5.923  -8.443   4.630
  181    HG1  THR  27           HG1      THR  27  -4.556 -10.332   6.253
  182   1HG2  THR  27          1HG2      THR  27  -7.419 -10.255   4.083
  183   2HG2  THR  27          2HG2      THR  27  -7.369 -10.116   5.841
  184   3HG2  THR  27          3HG2      THR  27  -6.466 -11.396   5.030
  185    H    TRP  28           H        TRP  28  -4.785  -7.728   2.474
  186    HA   TRP  28           HA       TRP  28  -6.716  -8.570   0.423
  187   1HB   TRP  28          2HB       TRP  28  -5.082  -6.035   0.810
  188   2HB   TRP  28          1HB       TRP  28  -6.433  -6.210  -0.300
  189    HD1  TRP  28           HD1      TRP  28  -7.575  -8.139   2.467
  190    HE1  TRP  28           HE1      TRP  28  -8.991  -6.762   4.120
  191    HE3  TRP  28           HE3      TRP  28  -6.340  -3.417   0.969
  192    HZ2  TRP  28           HZ2      TRP  28  -9.537  -4.023   4.721
  193    HZ3  TRP  28           HZ3      TRP  28  -7.322  -1.444   2.097
  194    HH2  TRP  28           HH2      TRP  28  -8.920  -1.741   3.971
  195    H    GLY  29           H        GLY  29  -3.262  -7.701   0.578
  196   1HA   GLY  29          2HA       GLY  29  -1.582  -8.781  -0.784
  197   2HA   GLY  29          1HA       GLY  29  -2.828  -9.163  -1.972
  198    H    TRP  30           H        TRP  30  -2.988  -5.919  -0.764
  199    HA   TRP  30           HA       TRP  30  -1.210  -4.860  -2.884
  200   1HB   TRP  30          2HB       TRP  30  -2.988  -3.784  -4.096
  201   2HB   TRP  30          1HB       TRP  30  -3.474  -5.460  -3.876
  202    HD1  TRP  30           HD1      TRP  30  -3.990  -2.049  -2.117
  203    HE1  TRP  30           HE1      TRP  30  -6.359  -2.011  -1.126
  204    HE3  TRP  30           HE3      TRP  30  -5.534  -6.760  -3.343
  205    HZ2  TRP  30           HZ2      TRP  30  -8.625  -3.742  -0.888
  206    HZ3  TRP  30           HZ3      TRP  30  -7.807  -7.535  -2.726
  207    HH2  TRP  30           HH2      TRP  30  -9.351  -6.032  -1.500
  208    H    CYS  31           H        CYS  31  -1.594  -2.294  -2.898
  209    HA   CYS  31           HA       CYS  31  -1.833  -1.379  -0.048
  210   1HB   CYS  31          2HB       CYS  31   0.511  -1.583  -0.923
  211   2HB   CYS  31          1HB       CYS  31   0.100  -0.426  -2.189
  212    H    ALA  32           H        ALA  32  -3.329   0.220   0.183
  213    HA   ALA  32           HA       ALA  32  -3.791   2.160  -2.021
  214   1HB   ALA  32          1HB       ALA  32  -6.349   1.622  -1.444
  215   2HB   ALA  32          2HB       ALA  32  -5.665   0.059  -0.996
  216   3HB   ALA  32          3HB       ALA  32  -5.465   0.673  -2.637
  217    H    VAL  33           H        VAL  33  -5.487   3.868  -1.152
  218    HA   VAL  33           HA       VAL  33  -4.471   5.064   1.236
  219    HB   VAL  33           HB       VAL  33  -7.119   5.411  -0.218
  220   1HG1  VAL  33          1HG1      VAL  33  -7.249   6.383   2.015
  221   2HG1  VAL  33          2HG1      VAL  33  -7.079   7.682   0.837
  222   3HG1  VAL  33          3HG1      VAL  33  -5.688   7.176   1.795
  223   1HG2  VAL  33          1HG2      VAL  33  -4.412   6.753  -0.464
  224   2HG2  VAL  33          2HG2      VAL  33  -5.884   7.413  -1.174
  225   3HG2  VAL  33          3HG2      VAL  33  -5.274   5.847  -1.708
  226    H    GLU  34           H        GLU  34  -5.260   5.073   3.373
  227    HA   GLU  34           HA       GLU  34  -7.118   2.846   4.075
  228   1HB   GLU  34          2HB       GLU  34  -4.835   4.298   5.306
  229   2HB   GLU  34          1HB       GLU  34  -6.107   3.806   6.422
  230   1HG   GLU  34          2HG       GLU  34  -4.968   1.870   4.408
  231   2HG   GLU  34          1HG       GLU  34  -4.195   2.120   5.973
  232    H    ALA  35           H        ALA  35  -8.742   4.604   3.052
  233    HA   ALA  35           HA       ALA  35  -9.573   6.598   5.109
  234   1HB   ALA  35          1HB       ALA  35  -9.174   7.158   2.666
  235   2HB   ALA  35          2HB       ALA  35 -10.768   7.611   3.271
  236   3HB   ALA  35          3HB       ALA  35 -10.578   6.163   2.282
  237    HA   PRO  36           HA       PRO  36 -12.668   3.494   6.159
  238   1HB   PRO  36          2HB       PRO  36 -13.601   4.804   8.374
  239   2HB   PRO  36          1HB       PRO  36 -12.122   3.822   8.380
  240   1HG   PRO  36          2HG       PRO  36 -12.430   6.777   8.214
  241   2HG   PRO  36          1HG       PRO  36 -11.229   5.814   9.088
  242   1HD   PRO  36          2HD       PRO  36 -10.718   7.051   6.716
  243   2HD   PRO  36          1HD       PRO  36  -9.890   5.571   7.247
  Start of MODEL    7
    1   1H    ASP   1          1H        ASP   1  15.579   1.847   2.563
    2   2H    ASP   1          2H        ASP   1  14.532   0.583   2.121
    3   3H    ASP   1          3H        ASP   1  13.900   2.053   2.693
    4    HA   ASP   1           HA       ASP   1  14.854   3.195   0.724
    5   1HB   ASP   1          2HB       ASP   1  15.933   0.454   0.520
    6   2HB   ASP   1          1HB       ASP   1  15.325   1.096  -1.005
    7    H    GLY   2           H        GLY   2  13.745   2.834  -1.567
    8   1HA   GLY   2          2HA       GLY   2  11.860   1.745  -2.749
    9   2HA   GLY   2          1HA       GLY   2  11.097   1.496  -1.178
   10    H    GLU   3           H        GLU   3  10.401   3.110  -3.748
   11    HA   GLU   3           HA       GLU   3  10.135   5.854  -2.649
   12   1HB   GLU   3          2HB       GLU   3  10.397   4.613  -5.191
   13   2HB   GLU   3          1HB       GLU   3   8.805   5.372  -5.170
   14   1HG   GLU   3          2HG       GLU   3   9.701   7.518  -4.748
   15   2HG   GLU   3          1HG       GLU   3  11.254   6.862  -4.227
   16    H    CYS   4           H        CYS   4   7.709   6.657  -3.669
   17    HA   CYS   4           HA       CYS   4   5.817   5.325  -1.829
   18   1HB   CYS   4          2HB       CYS   4   4.911   7.406  -1.760
   19   2HB   CYS   4          1HB       CYS   4   6.322   7.927  -2.672
   20    H    GLY   5           H        GLY   5   3.811   4.436  -2.524
   21   1HA   GLY   5          2HA       GLY   5   3.888   3.186  -5.175
   22   2HA   GLY   5          1HA       GLY   5   2.690   2.881  -3.920
   23    H    GLY   6           H        GLY   6   0.761   3.307  -4.916
   24   1HA   GLY   6          2HA       GLY   6   0.296   6.081  -5.846
   25   2HA   GLY   6          1HA       GLY   6  -0.056   4.778  -6.982
   26    H    PHE   7           H        PHE   7  -2.329   5.126  -6.992
   27    HA   PHE   7           HA       PHE   7  -3.888   5.271  -4.526
   28   1HB   PHE   7          2HB       PHE   7  -4.287   6.161  -6.984
   29   2HB   PHE   7          1HB       PHE   7  -5.003   4.569  -7.228
   30    HD1  PHE   7           HD1      PHE   7  -7.127   3.996  -6.276
   31    HD2  PHE   7           HD2      PHE   7  -5.199   7.684  -5.208
   32    HE1  PHE   7           HE1      PHE   7  -9.209   4.765  -5.169
   33    HE2  PHE   7           HE2      PHE   7  -7.282   8.452  -4.101
   34    HZ   PHE   7           HZ       PHE   7  -9.286   6.992  -4.082
   35    H    TRP   8           H        TRP   8  -2.955   2.675  -6.746
   36    HA   TRP   8           HA       TRP   8  -3.968   0.683  -4.800
   37   1HB   TRP   8          2HB       TRP   8  -5.600   1.558  -6.838
   38   2HB   TRP   8          1HB       TRP   8  -4.836   0.150  -7.576
   39    HD1  TRP   8           HD1      TRP   8  -4.755  -2.050  -5.675
   40    HE1  TRP   8           HE1      TRP   8  -6.785  -2.955  -4.369
   41    HE3  TRP   8           HE3      TRP   8  -7.854   2.000  -5.940
   42    HZ2  TRP   8           HZ2      TRP   8  -9.378  -2.077  -3.543
   43    HZ3  TRP   8           HZ3      TRP   8 -10.095   1.938  -4.887
   44    HH2  TRP   8           HH2      TRP   8 -10.861  -0.093  -3.689
   45    H    TRP   9           H        TRP   9  -1.469   0.609  -4.860
   46    HA   TRP   9           HA       TRP   9  -0.414  -0.915  -7.213
   47   1HB   TRP   9          2HB       TRP   9   0.831   0.599  -4.900
   48   2HB   TRP   9          1HB       TRP   9   1.784  -0.367  -6.020
   49    HD1  TRP   9           HD1      TRP   9  -1.210   1.633  -7.284
   50    HE1  TRP   9           HE1      TRP   9  -0.366   3.537  -8.791
   51    HE3  TRP   9           HE3      TRP   9   3.822   1.205  -6.516
   52    HZ2  TRP   9           HZ2      TRP   9   2.097   4.732  -9.556
   53    HZ3  TRP   9           HZ3      TRP   9   5.392   2.746  -7.653
   54    HH2  TRP   9           HH2      TRP   9   4.539   4.505  -9.177
   55    H    LYS  10           H        LYS  10   1.304  -2.661  -6.436
   56    HA   LYS  10           HA       LYS  10  -0.110  -4.443  -4.539
   57   1HB   LYS  10          2HB       LYS  10   1.854  -4.636  -6.723
   58   2HB   LYS  10          1HB       LYS  10   2.194  -5.718  -5.373
   59   1HG   LYS  10          2HG       LYS  10   0.539  -7.095  -6.023
   60   2HG   LYS  10          1HG       LYS  10  -0.627  -5.778  -5.899
   61   1HD   LYS  10          2HD       LYS  10  -0.552  -5.312  -8.146
   62   2HD   LYS  10          1HD       LYS  10   1.146  -5.766  -8.290
   63   1HE   LYS  10          2HE       LYS  10  -0.046  -7.478  -9.459
   64   2HE   LYS  10          1HE       LYS  10   0.329  -8.198  -7.881
   65   1HZ   LYS  10          1HZ       LYS  10  -2.050  -8.403  -8.536
   66   2HZ   LYS  10          2HZ       LYS  10  -2.177  -6.711  -8.471
   67   3HZ   LYS  10          3HZ       LYS  10  -1.817  -7.594  -7.063
   68    H    CYS  11           H        CYS  11   0.786  -5.158  -2.577
   69    HA   CYS  11           HA       CYS  11   3.457  -4.174  -1.773
   70   1HB   CYS  11          2HB       CYS  11   1.919  -2.345  -1.262
   71   2HB   CYS  11          1HB       CYS  11   0.834  -3.456  -0.432
   72    H    GLY  12           H        GLY  12   4.167  -5.179   0.271
   73   1HA   GLY  12          2HA       GLY  12   2.916  -7.848   0.666
   74   2HA   GLY  12          1HA       GLY  12   4.538  -7.388   1.190
   75    H    ARG  13           H        ARG  13   4.643  -7.287   3.382
   76    HA   ARG  13           HA       ARG  13   2.214  -6.703   4.966
   77   1HB   ARG  13          2HB       ARG  13   4.185  -8.463   5.309
   78   2HB   ARG  13          1HB       ARG  13   4.951  -7.097   6.123
   79   1HG   ARG  13          2HG       ARG  13   2.108  -7.800   6.791
   80   2HG   ARG  13          1HG       ARG  13   3.420  -8.742   7.497
   81   1HD   ARG  13          2HD       ARG  13   4.394  -6.280   7.988
   82   2HD   ARG  13          1HD       ARG  13   2.662  -5.900   7.990
   83    HE   ARG  13           HE       ARG  13   2.407  -7.802   9.653
   84   1HH1  ARG  13          1HH2      ARG  13   4.055  -5.343  10.640
   85   2HH1  ARG  13          2HH2      ARG  13   5.304  -6.154  11.523
   86   1HH2  ARG  13          1HH1      ARG  13   4.625  -9.271  10.143
   87   2HH2  ARG  13          2HH1      ARG  13   5.628  -8.383  11.241
   88    H    GLY  14           H        GLY  14   5.374  -5.276   4.271
   89   1HA   GLY  14          2HA       GLY  14   4.444  -2.590   4.698
   90   2HA   GLY  14          1HA       GLY  14   5.387  -3.127   6.089
   91    H    LYS  15           H        LYS  15   5.949  -4.111   2.723
   92    HA   LYS  15           HA       LYS  15   8.737  -3.162   2.970
   93   1HB   LYS  15          2HB       LYS  15   7.200  -5.136   1.436
   94   2HB   LYS  15          1HB       LYS  15   8.428  -4.310   0.476
   95   1HG   LYS  15          2HG       LYS  15   9.958  -4.784   2.572
   96   2HG   LYS  15          1HG       LYS  15   8.769  -6.044   2.902
   97   1HD   LYS  15          2HD       LYS  15   9.444  -7.319   1.141
   98   2HD   LYS  15          1HD       LYS  15   9.678  -5.920   0.094
   99   1HE   LYS  15          2HE       LYS  15  11.873  -6.825   0.464
  100   2HE   LYS  15          1HE       LYS  15  11.767  -5.407   1.524
  101   1HZ   LYS  15          1HZ       LYS  15  12.546  -7.528   2.616
  102   2HZ   LYS  15          2HZ       LYS  15  10.970  -8.125   2.406
  103   3HZ   LYS  15          3HZ       LYS  15  11.241  -6.752   3.371
  104    HA   PRO  16           HA       PRO  16   7.628  -0.545  -0.798
  105   1HB   PRO  16          2HB       PRO  16   5.272  -0.934  -2.127
  106   2HB   PRO  16          1HB       PRO  16   6.739  -1.869  -2.477
  107   1HG   PRO  16          2HG       PRO  16   4.325  -2.642  -0.946
  108   2HG   PRO  16          1HG       PRO  16   5.380  -3.626  -1.966
  109   1HD   PRO  16          2HD       PRO  16   5.433  -3.585   0.802
  110   2HD   PRO  16          1HD       PRO  16   6.760  -4.138  -0.241
  111    HA   PRO  17           HA       PRO  17   4.969   1.843   1.955
  112   1HB   PRO  17          2HB       PRO  17   6.259   4.228   1.593
  113   2HB   PRO  17          1HB       PRO  17   6.858   2.963   2.682
  114   1HG   PRO  17          2HG       PRO  17   7.785   3.721  -0.024
  115   2HG   PRO  17          1HG       PRO  17   8.704   3.104   1.353
  116   1HD   PRO  17          2HD       PRO  17   7.924   1.608  -0.844
  117   2HD   PRO  17          1HD       PRO  17   8.397   0.944   0.734
  118    H    CYS  18           H        CYS  18   2.976   2.343   1.076
  119    HA   CYS  18           HA       CYS  18   2.589   3.264  -1.640
  120   1HB   CYS  18          2HB       CYS  18   1.044   2.150   0.346
  121   2HB   CYS  18          1HB       CYS  18   0.487   3.820   0.368
  122    H    CYS  19           H        CYS  19   1.773   5.437  -2.246
  123    HA   CYS  19           HA       CYS  19   3.273   7.591  -1.134
  124   1HB   CYS  19          2HB       CYS  19   1.534   7.090  -3.301
  125   2HB   CYS  19          1HB       CYS  19   0.841   8.465  -2.442
  126    H    LYS  20           H        LYS  20   2.575   9.396   0.158
  127    HA   LYS  20           HA       LYS  20   1.256   8.932   2.538
  128   1HB   LYS  20          2HB       LYS  20   1.894  11.279   0.846
  129   2HB   LYS  20          1HB       LYS  20   0.680  11.562   2.093
  130   1HG   LYS  20          2HG       LYS  20   2.191  11.368   3.782
  131   2HG   LYS  20          1HG       LYS  20   3.020  10.016   3.012
  132   1HD   LYS  20          2HD       LYS  20   3.291  12.733   1.778
  133   2HD   LYS  20          1HD       LYS  20   4.205  12.388   3.247
  134   1HE   LYS  20          2HE       LYS  20   5.315  10.507   2.208
  135   2HE   LYS  20          1HE       LYS  20   4.261  10.606   0.785
  136   1HZ   LYS  20          1HZ       LYS  20   6.111  12.738   1.727
  137   2HZ   LYS  20          2HZ       LYS  20   5.076  12.852   0.384
  138   3HZ   LYS  20          3HZ       LYS  20   6.362  11.740   0.378
  139    H    GLY  21           H        GLY  21  -0.839   8.512   3.107
  140   1HA   GLY  21          2HA       GLY  21  -3.220   9.160   3.018
  141   2HA   GLY  21          1HA       GLY  21  -3.024   9.441   1.289
  142    H    TYR  22           H        TYR  22  -1.400   6.943   0.978
  143    HA   TYR  22           HA       TYR  22  -3.689   5.029   0.950
  144   1HB   TYR  22          2HB       TYR  22  -1.045   4.739  -0.486
  145   2HB   TYR  22          1HB       TYR  22  -2.611   4.069  -0.934
  146    HD1  TYR  22           HD1      TYR  22  -4.430   6.331  -0.806
  147    HD2  TYR  22           HD2      TYR  22  -0.365   6.200  -2.176
  148    HE1  TYR  22           HE1      TYR  22  -4.852   8.303  -2.250
  149    HE2  TYR  22           HE2      TYR  22  -0.785   8.172  -3.616
  150    HH   TYR  22           HH       TYR  22  -2.878  10.252  -3.321
  151    H    ALA  23           H        ALA  23  -3.612   3.266   2.287
  152    HA   ALA  23           HA       ALA  23  -1.104   2.733   3.822
  153   1HB   ALA  23          1HB       ALA  23  -2.546   1.881   5.477
  154   2HB   ALA  23          2HB       ALA  23  -3.807   1.492   4.306
  155   3HB   ALA  23          3HB       ALA  23  -3.520   3.169   4.767
  156    H    CYS  24           H        CYS  24  -0.211   0.591   3.833
  157    HA   CYS  24           HA       CYS  24  -0.863  -1.027   1.441
  158   1HB   CYS  24          2HB       CYS  24   1.450  -0.672   1.820
  159   2HB   CYS  24          1HB       CYS  24   1.297  -0.965   3.550
  160    H    SER  25           H        SER  25  -1.224  -3.370   1.645
  161    HA   SER  25           HA       SER  25  -2.222  -4.299   4.293
  162   1HB   SER  25          2HB       SER  25  -3.807  -3.415   2.082
  163   2HB   SER  25          1HB       SER  25  -4.045  -5.148   2.273
  164    HG   SER  25           HG       SER  25  -5.093  -3.224   3.707
  165    H    LYS  26           H        LYS  26  -1.280  -6.255   4.668
  166    HA   LYS  26           HA       LYS  26  -0.071  -7.841   2.537
  167   1HB   LYS  26          2HB       LYS  26   0.904  -7.725   4.769
  168   2HB   LYS  26          1HB       LYS  26  -0.594  -8.303   5.493
  169   1HG   LYS  26          2HG       LYS  26   0.494 -10.319   5.394
  170   2HG   LYS  26          1HG       LYS  26  -0.151 -10.318   3.753
  171   1HD   LYS  26          2HD       LYS  26   2.192  -8.843   3.521
  172   2HD   LYS  26          1HD       LYS  26   2.625 -10.120   4.655
  173   1HE   LYS  26          2HE       LYS  26   1.188 -10.702   2.047
  174   2HE   LYS  26          1HE       LYS  26   2.957 -10.704   2.187
  175   1HZ   LYS  26          1HZ       LYS  26   2.248 -12.900   2.660
  176   2HZ   LYS  26          2HZ       LYS  26   1.015 -12.367   3.699
  177   3HZ   LYS  26          3HZ       LYS  26   2.645 -12.209   4.157
  178    H    THR  27           H        THR  27  -2.947  -8.122   4.617
  179    HA   THR  27           HA       THR  27  -3.869 -10.684   3.781
  180    HB   THR  27           HB       THR  27  -5.498  -8.227   4.527
  181    HG1  THR  27           HG1      THR  27  -4.934  -8.583   6.547
  182   1HG2  THR  27          1HG2      THR  27  -7.231  -9.647   4.357
  183   2HG2  THR  27          2HG2      THR  27  -6.530 -10.582   5.678
  184   3HG2  THR  27          3HG2      THR  27  -6.150 -10.996   4.006
  185    H    TRP  28           H        TRP  28  -4.309  -7.456   2.381
  186    HA   TRP  28           HA       TRP  28  -6.048  -8.456   0.217
  187   1HB   TRP  28          2HB       TRP  28  -4.736  -5.761   0.732
  188   2HB   TRP  28          1HB       TRP  28  -6.006  -6.067  -0.444
  189    HD1  TRP  28           HD1      TRP  28  -7.098  -8.160   2.201
  190    HE1  TRP  28           HE1      TRP  28  -8.722  -6.978   3.813
  191    HE3  TRP  28           HE3      TRP  28  -6.233  -3.287   0.923
  192    HZ2  TRP  28           HZ2      TRP  28  -9.553  -4.327   4.472
  193    HZ3  TRP  28           HZ3      TRP  28  -7.457  -1.456   2.061
  194    HH2  TRP  28           HH2      TRP  28  -9.114  -1.973   3.831
  195    H    GLY  29           H        GLY  29  -2.701  -7.354   0.681
  196   1HA   GLY  29          2HA       GLY  29  -0.827  -8.143  -0.586
  197   2HA   GLY  29          1HA       GLY  29  -1.933  -8.683  -1.846
  198    H    TRP  30           H        TRP  30  -2.549  -5.482  -0.673
  199    HA   TRP  30           HA       TRP  30  -0.804  -4.217  -2.702
  200   1HB   TRP  30          2HB       TRP  30  -2.613  -3.404  -4.045
  201   2HB   TRP  30          1HB       TRP  30  -2.936  -5.113  -3.788
  202    HD1  TRP  30           HD1      TRP  30  -3.892  -1.727  -2.162
  203    HE1  TRP  30           HE1      TRP  30  -6.321  -1.897  -1.344
  204    HE3  TRP  30           HE3      TRP  30  -4.892  -6.585  -3.377
  205    HZ2  TRP  30           HZ2      TRP  30  -8.427  -3.831  -1.227
  206    HZ3  TRP  30           HZ3      TRP  30  -7.122  -7.561  -2.908
  207    HH2  TRP  30           HH2      TRP  30  -8.888  -6.191  -1.834
  208    H    CYS  31           H        CYS  31  -1.427  -1.710  -2.732
  209    HA   CYS  31           HA       CYS  31  -2.119  -0.851   0.050
  210   1HB   CYS  31          2HB       CYS  31  -0.199   0.538   0.137
  211   2HB   CYS  31          1HB       CYS  31   0.388  -0.960  -0.574
  212    H    ALA  32           H        ALA  32  -3.698   0.649   0.062
  213    HA   ALA  32           HA       ALA  32  -3.994   2.586  -2.189
  214   1HB   ALA  32          1HB       ALA  32  -6.241   0.777  -1.237
  215   2HB   ALA  32          2HB       ALA  32  -5.253   0.426  -2.655
  216   3HB   ALA  32          3HB       ALA  32  -6.266   1.869  -2.622
  217    H    VAL  33           H        VAL  33  -6.147   3.971  -1.552
  218    HA   VAL  33           HA       VAL  33  -5.566   5.364   0.872
  219    HB   VAL  33           HB       VAL  33  -8.221   5.205  -0.595
  220   1HG1  VAL  33          1HG1      VAL  33  -8.240   7.662   0.190
  221   2HG1  VAL  33          2HG1      VAL  33  -6.932   7.195   1.276
  222   3HG1  VAL  33          3HG1      VAL  33  -8.511   6.426   1.419
  223   1HG2  VAL  33          1HG2      VAL  33  -7.411   6.584  -2.241
  224   2HG2  VAL  33          2HG2      VAL  33  -5.887   5.800  -1.833
  225   3HG2  VAL  33          3HG2      VAL  33  -6.273   7.383  -1.159
  226    H    GLU  34           H        GLU  34  -6.278   5.083   2.976
  227    HA   GLU  34           HA       GLU  34  -8.091   2.751   3.501
  228   1HB   GLU  34          2HB       GLU  34  -5.508   3.486   4.428
  229   2HB   GLU  34          1HB       GLU  34  -6.604   3.668   5.796
  230   1HG   GLU  34          2HG       GLU  34  -7.409   1.280   4.592
  231   2HG   GLU  34          1HG       GLU  34  -5.649   1.232   4.513
  232    H    ALA  35           H        ALA  35 -10.127   3.510   3.912
  233    HA   ALA  35           HA       ALA  35 -10.729   6.171   4.857
  234   1HB   ALA  35          1HB       ALA  35 -12.992   4.743   5.305
  235   2HB   ALA  35          2HB       ALA  35 -12.144   3.631   4.229
  236   3HB   ALA  35          3HB       ALA  35 -12.495   5.275   3.699
  237    HA   PRO  36           HA       PRO  36 -11.624   4.082   9.078
  238   1HB   PRO  36          2HB       PRO  36 -10.773   1.511   9.474
  239   2HB   PRO  36          1HB       PRO  36 -12.383   1.913   8.844
  240   1HG   PRO  36          2HG       PRO  36  -9.951   1.013   7.388
  241   2HG   PRO  36          1HG       PRO  36 -11.649   0.594   7.116
  242   1HD   PRO  36          2HD       PRO  36 -10.279   2.398   5.598
  243   2HD   PRO  36          1HD       PRO  36 -12.038   2.452   5.842
  Start of MODEL    8
    1   1H    ASP   1          1H        ASP   1   6.769  11.099  -4.116
    2   2H    ASP   1          2H        ASP   1   7.847  12.413  -4.131
    3   3H    ASP   1          3H        ASP   1   6.573  12.369  -3.008
    4    HA   ASP   1           HA       ASP   1   8.595  11.786  -1.864
    5   1HB   ASP   1          2HB       ASP   1   6.302  10.636  -1.552
    6   2HB   ASP   1          1HB       ASP   1   7.008   9.269  -2.411
    7    H    GLY   2           H        GLY   2  10.487  10.412  -1.744
    8   1HA   GLY   2          2HA       GLY   2  11.730   9.783  -4.255
    9   2HA   GLY   2          1HA       GLY   2  12.340   9.307  -2.670
   10    H    GLU   3           H        GLU   3  10.646   7.585  -1.632
   11    HA   GLU   3           HA       GLU   3  10.395   5.413  -3.684
   12   1HB   GLU   3          2HB       GLU   3  11.561   5.627  -1.063
   13   2HB   GLU   3          1HB       GLU   3  10.254   4.445  -1.003
   14   1HG   GLU   3          2HG       GLU   3  12.098   3.151  -1.673
   15   2HG   GLU   3          1HG       GLU   3  11.296   3.517  -3.201
   16    H    CYS   4           H        CYS   4   8.259   5.557  -4.375
   17    HA   CYS   4           HA       CYS   4   6.145   5.173  -2.306
   18   1HB   CYS   4          2HB       CYS   4   5.709   7.398  -2.511
   19   2HB   CYS   4          1HB       CYS   4   6.673   7.537  -3.976
   20    H    GLY   5           H        GLY   5   4.117   4.357  -3.263
   21   1HA   GLY   5          2HA       GLY   5   4.603   2.848  -5.781
   22   2HA   GLY   5          1HA       GLY   5   3.455   2.376  -4.526
   23    H    GLY   6           H        GLY   6   1.359   2.907  -4.892
   24   1HA   GLY   6          2HA       GLY   6   0.680   5.385  -6.344
   25   2HA   GLY   6          1HA       GLY   6   0.165   3.883  -7.104
   26    H    PHE   7           H        PHE   7  -2.088   4.479  -6.779
   27    HA   PHE   7           HA       PHE   7  -3.092   4.862  -4.032
   28   1HB   PHE   7          2HB       PHE   7  -3.857   5.633  -6.575
   29   2HB   PHE   7          1HB       PHE   7  -5.004   4.343  -6.214
   30    HD1  PHE   7           HD1      PHE   7  -3.690   7.620  -5.087
   31    HD2  PHE   7           HD2      PHE   7  -6.683   4.595  -4.499
   32    HE1  PHE   7           HE1      PHE   7  -4.961   9.163  -3.622
   33    HE2  PHE   7           HE2      PHE   7  -7.955   6.141  -3.033
   34    HZ   PHE   7           HZ       PHE   7  -7.093   8.425  -2.595
   35    H    TRP   8           H        TRP   8  -3.013   2.283  -6.462
   36    HA   TRP   8           HA       TRP   8  -3.914   0.363  -4.365
   37   1HB   TRP   8          2HB       TRP   8  -5.882   1.105  -5.680
   38   2HB   TRP   8          1HB       TRP   8  -5.066   0.636  -7.168
   39    HD1  TRP   8           HD1      TRP   8  -4.661  -1.611  -4.145
   40    HE1  TRP   8           HE1      TRP   8  -5.936  -3.813  -4.548
   41    HE3  TRP   8           HE3      TRP   8  -7.202  -0.396  -8.407
   42    HZ2  TRP   8           HZ2      TRP   8  -7.786  -4.915  -6.425
   43    HZ3  TRP   8           HZ3      TRP   8  -8.715  -2.042  -9.478
   44    HH2  TRP   8           HH2      TRP   8  -9.009  -4.297  -8.493
   45    H    TRP   9           H        TRP   9  -1.480   0.033  -4.561
   46    HA   TRP   9           HA       TRP   9  -0.674  -1.521  -6.995
   47   1HB   TRP   9          2HB       TRP   9   0.747  -0.014  -4.788
   48   2HB   TRP   9          1HB       TRP   9   1.627  -1.142  -5.815
   49    HD1  TRP   9           HD1      TRP   9  -1.213   1.003  -7.218
   50    HE1  TRP   9           HE1      TRP   9  -0.228   2.687  -8.897
   51    HE3  TRP   9           HE3      TRP   9   3.774   0.167  -6.490
   52    HZ2  TRP   9           HZ2      TRP   9   2.320   3.575  -9.797
   53    HZ3  TRP   9           HZ3      TRP   9   5.455   1.452  -7.778
   54    HH2  TRP   9           HH2      TRP   9   4.738   3.150  -9.434
   55    H    LYS  10           H        LYS  10   0.724  -3.513  -6.488
   56    HA   LYS  10           HA       LYS  10  -0.565  -5.065  -4.315
   57   1HB   LYS  10          2HB       LYS  10   0.953  -5.568  -6.812
   58   2HB   LYS  10          1HB       LYS  10   1.196  -6.750  -5.527
   59   1HG   LYS  10          2HG       LYS  10  -0.693  -7.688  -6.406
   60   2HG   LYS  10          1HG       LYS  10  -1.499  -6.485  -5.400
   61   1HD   LYS  10          2HD       LYS  10  -2.231  -5.321  -7.197
   62   2HD   LYS  10          1HD       LYS  10  -0.658  -5.406  -7.992
   63   1HE   LYS  10          2HE       LYS  10  -1.416  -7.987  -8.276
   64   2HE   LYS  10          1HE       LYS  10  -3.011  -7.210  -8.271
   65   1HZ   LYS  10          1HZ       LYS  10  -2.195  -5.624  -9.916
   66   2HZ   LYS  10          2HZ       LYS  10  -2.079  -7.214 -10.500
   67   3HZ   LYS  10          3HZ       LYS  10  -0.691  -6.406  -9.949
   68    H    CYS  11           H        CYS  11   0.482  -5.689  -2.447
   69    HA   CYS  11           HA       CYS  11   3.426  -5.467  -2.276
   70   1HB   CYS  11          2HB       CYS  11   3.308  -3.896  -0.412
   71   2HB   CYS  11          1HB       CYS  11   2.415  -3.225  -1.774
   72    H    GLY  12           H        GLY  12   4.144  -6.228   0.022
   73   1HA   GLY  12          2HA       GLY  12   2.575  -8.649   0.700
   74   2HA   GLY  12          1HA       GLY  12   4.223  -8.306   1.225
   75    H    ARG  13           H        ARG  13   4.308  -7.996   3.394
   76    HA   ARG  13           HA       ARG  13   1.919  -7.032   4.863
   77   1HB   ARG  13          2HB       ARG  13   3.959  -8.870   5.318
   78   2HB   ARG  13          1HB       ARG  13   4.399  -7.515   6.356
   79   1HG   ARG  13          2HG       ARG  13   1.532  -8.309   6.376
   80   2HG   ARG  13          1HG       ARG  13   2.662  -9.440   7.121
   81   1HD   ARG  13          2HD       ARG  13   3.612  -7.287   8.312
   82   2HD   ARG  13          1HD       ARG  13   2.016  -6.614   7.928
   83    HE   ARG  13           HE       ARG  13   1.990  -9.307   9.133
   84   1HH1  ARG  13          1HH1      ARG  13  -0.341  -7.440   9.251
   85   2HH1  ARG  13          2HH1      ARG  13  -0.263  -6.851  10.878
   86   1HH2  ARG  13          1HH2      ARG  13   3.018  -7.886  11.373
   87   2HH2  ARG  13          2HH2      ARG  13   1.644  -7.104  12.081
   88    H    GLY  14           H        GLY  14   3.683  -5.222   3.094
   89   1HA   GLY  14          2HA       GLY  14   3.771  -2.798   3.522
   90   2HA   GLY  14          1HA       GLY  14   4.226  -3.161   5.187
   91    H    LYS  15           H        LYS  15   5.540  -4.720   2.277
   92    HA   LYS  15           HA       LYS  15   8.269  -4.149   3.178
   93   1HB   LYS  15          2HB       LYS  15   6.860  -5.925   1.339
   94   2HB   LYS  15          1HB       LYS  15   8.361  -5.310   0.648
   95   1HG   LYS  15          2HG       LYS  15   9.521  -5.973   2.791
   96   2HG   LYS  15          1HG       LYS  15   8.026  -6.771   3.281
   97   1HD   LYS  15          2HD       LYS  15   8.839  -7.496   0.566
   98   2HD   LYS  15          1HD       LYS  15  10.055  -7.921   1.770
   99   1HE   LYS  15          2HE       LYS  15   8.735  -9.810   1.963
  100   2HE   LYS  15          1HE       LYS  15   7.819  -8.764   3.065
  101   1HZ   LYS  15          1HZ       LYS  15   6.444  -8.047   1.235
  102   2HZ   LYS  15          2HZ       LYS  15   6.405  -9.743   1.324
  103   3HZ   LYS  15          3HZ       LYS  15   7.344  -8.974   0.135
  104    HA   PRO  16           HA       PRO  16   8.455  -1.648  -0.886
  105   1HB   PRO  16          2HB       PRO  16   6.157  -1.294  -2.329
  106   2HB   PRO  16          1HB       PRO  16   7.243  -2.676  -2.566
  107   1HG   PRO  16          2HG       PRO  16   4.666  -2.527  -1.097
  108   2HG   PRO  16          1HG       PRO  16   5.329  -3.836  -2.085
  109   1HD   PRO  16          2HD       PRO  16   5.352  -3.813   0.657
  110   2HD   PRO  16          1HD       PRO  16   6.506  -4.724  -0.341
  111    HA   PRO  17           HA       PRO  17   6.896   1.834   1.422
  112   1HB   PRO  17          2HB       PRO  17   8.416   3.755   0.199
  113   2HB   PRO  17          1HB       PRO  17   9.054   2.648   1.430
  114   1HG   PRO  17          2HG       PRO  17   9.343   2.561  -1.526
  115   2HG   PRO  17          1HG       PRO  17  10.505   2.130  -0.262
  116   1HD   PRO  17          2HD       PRO  17   9.050   0.305  -1.700
  117   2HD   PRO  17          1HD       PRO  17   9.707   0.003  -0.077
  118    H    CYS  18           H        CYS  18   4.838   2.456   0.878
  119    HA   CYS  18           HA       CYS  18   4.082   3.129  -1.883
  120   1HB   CYS  18          2HB       CYS  18   2.618   3.106   0.776
  121   2HB   CYS  18          1HB       CYS  18   1.840   3.386  -0.781
  122    H    CYS  19           H        CYS  19   2.502   5.211  -1.908
  123    HA   CYS  19           HA       CYS  19   4.189   7.528  -1.383
  124   1HB   CYS  19          2HB       CYS  19   1.789   6.805  -2.846
  125   2HB   CYS  19          1HB       CYS  19   1.552   8.330  -1.993
  126    H    LYS  20           H        LYS  20   3.719   9.251   0.094
  127    HA   LYS  20           HA       LYS  20   2.918   8.584   2.703
  128   1HB   LYS  20          2HB       LYS  20   4.170  10.631   1.591
  129   2HB   LYS  20          1HB       LYS  20   2.562  11.358   1.614
  130   1HG   LYS  20          2HG       LYS  20   2.496  11.476   3.910
  131   2HG   LYS  20          1HG       LYS  20   3.479  10.027   4.119
  132   1HD   LYS  20          2HD       LYS  20   4.693  12.521   2.948
  133   2HD   LYS  20          1HD       LYS  20   4.530  12.349   4.696
  134   1HE   LYS  20          2HE       LYS  20   5.748  10.089   3.122
  135   2HE   LYS  20          1HE       LYS  20   6.739  11.504   3.527
  136   1HZ   LYS  20          1HZ       LYS  20   5.162   9.856   5.437
  137   2HZ   LYS  20          2HZ       LYS  20   5.999  11.277   5.845
  138   3HZ   LYS  20          3HZ       LYS  20   6.853   9.907   5.318
  139    H    GLY  21           H        GLY  21   0.898   7.930   3.341
  140   1HA   GLY  21          2HA       GLY  21  -1.406   8.907   3.800
  141   2HA   GLY  21          1HA       GLY  21  -1.479   9.234   2.068
  142    H    TYR  22           H        TYR  22  -0.176   6.719   1.309
  143    HA   TYR  22           HA       TYR  22  -2.532   4.930   1.576
  144   1HB   TYR  22          2HB       TYR  22  -0.023   4.544  -0.081
  145   2HB   TYR  22          1HB       TYR  22  -1.612   3.839  -0.356
  146    HD1  TYR  22           HD1      TYR  22  -3.232   6.404   0.200
  147    HD2  TYR  22           HD2      TYR  22   0.248   5.635  -2.195
  148    HE1  TYR  22           HE1      TYR  22  -3.818   8.316  -1.267
  149    HE2  TYR  22           HE2      TYR  22  -0.336   7.545  -3.659
  150    HH   TYR  22           HH       TYR  22  -1.639   9.441  -3.791
  151    H    ALA  23           H        ALA  23  -2.320   2.764   2.341
  152    HA   ALA  23           HA       ALA  23   0.232   2.115   3.788
  153   1HB   ALA  23          1HB       ALA  23  -1.464   2.774   5.381
  154   2HB   ALA  23          2HB       ALA  23  -1.340   1.017   5.456
  155   3HB   ALA  23          3HB       ALA  23  -2.675   1.769   4.584
  156    H    CYS  24           H        CYS  24   0.808  -0.142   3.752
  157    HA   CYS  24           HA       CYS  24  -0.352  -1.657   1.491
  158   1HB   CYS  24          2HB       CYS  24   2.043  -1.532   1.667
  159   2HB   CYS  24          1HB       CYS  24   2.000  -2.029   3.357
  160    H    SER  25           H        SER  25  -1.034  -3.895   1.762
  161    HA   SER  25           HA       SER  25  -1.837  -4.692   4.524
  162   1HB   SER  25          2HB       SER  25  -3.576  -4.316   2.080
  163   2HB   SER  25          1HB       SER  25  -4.101  -5.257   3.472
  164    HG   SER  25           HG       SER  25  -4.277  -3.475   4.619
  165    H    LYS  26           H        LYS  26  -1.452  -6.846   4.865
  166    HA   LYS  26           HA       LYS  26  -0.504  -8.526   2.635
  167   1HB   LYS  26          2HB       LYS  26   0.711  -8.653   4.691
  168   2HB   LYS  26          1HB       LYS  26  -0.766  -8.811   5.638
  169   1HG   LYS  26          2HG       LYS  26   0.318 -10.992   5.472
  170   2HG   LYS  26          1HG       LYS  26  -1.183 -11.021   4.548
  171   1HD   LYS  26          2HD       LYS  26   0.242 -10.404   2.505
  172   2HD   LYS  26          1HD       LYS  26   1.645 -10.801   3.499
  173   1HE   LYS  26          2HE       LYS  26   1.297 -12.918   2.670
  174   2HE   LYS  26          1HE       LYS  26   0.061 -12.997   3.941
  175   1HZ   LYS  26          1HZ       LYS  26  -0.352 -12.077   1.142
  176   2HZ   LYS  26          2HZ       LYS  26  -1.533 -12.033   2.363
  177   3HZ   LYS  26          3HZ       LYS  26  -0.930 -13.522   1.814
  178    H    THR  27           H        THR  27  -3.193  -8.524   4.984
  179    HA   THR  27           HA       THR  27  -4.512 -10.904   4.125
  180    HB   THR  27           HB       THR  27  -5.805  -8.340   5.117
  181    HG1  THR  27           HG1      THR  27  -4.944  -8.695   7.006
  182   1HG2  THR  27          1HG2      THR  27  -6.982 -10.680   4.413
  183   2HG2  THR  27          2HG2      THR  27  -7.602  -9.628   5.686
  184   3HG2  THR  27          3HG2      THR  27  -6.604 -11.021   6.101
  185    H    TRP  28           H        TRP  28  -4.699  -7.554   2.981
  186    HA   TRP  28           HA       TRP  28  -6.747  -8.136   0.956
  187   1HB   TRP  28          2HB       TRP  28  -4.944  -5.737   1.451
  188   2HB   TRP  28          1HB       TRP  28  -6.351  -5.750   0.397
  189    HD1  TRP  28           HD1      TRP  28  -7.546  -7.812   3.010
  190    HE1  TRP  28           HE1      TRP  28  -8.785  -6.503   4.849
  191    HE3  TRP  28           HE3      TRP  28  -5.954  -3.073   1.953
  192    HZ2  TRP  28           HZ2      TRP  28  -9.072  -3.811   5.751
  193    HZ3  TRP  28           HZ3      TRP  28  -6.730  -1.157   3.320
  194    HH2  TRP  28           HH2      TRP  28  -8.286  -1.521   5.215
  195    H    GLY  29           H        GLY  29  -3.238  -7.496   1.043
  196   1HA   GLY  29          2HA       GLY  29  -1.648  -8.525  -0.431
  197   2HA   GLY  29          1HA       GLY  29  -2.955  -8.898  -1.551
  198    H    TRP  30           H        TRP  30  -2.957  -5.639  -0.336
  199    HA   TRP  30           HA       TRP  30  -1.307  -4.657  -2.590
  200   1HB   TRP  30          2HB       TRP  30  -3.116  -3.550  -3.699
  201   2HB   TRP  30          1HB       TRP  30  -3.676  -5.186  -3.382
  202    HD1  TRP  30           HD1      TRP  30  -3.871  -1.697  -1.713
  203    HE1  TRP  30           HE1      TRP  30  -6.162  -1.485  -0.574
  204    HE3  TRP  30           HE3      TRP  30  -5.761  -6.345  -2.660
  205    HZ2  TRP  30           HZ2      TRP  30  -8.504  -3.068  -0.124
  206    HZ3  TRP  30           HZ3      TRP  30  -8.028  -6.963  -1.870
  207    HH2  TRP  30           HH2      TRP  30  -9.399  -5.330  -0.604
  208    H    CYS  31           H        CYS  31  -1.542  -2.113  -2.619
  209    HA   CYS  31           HA       CYS  31  -1.488  -1.139   0.215
  210   1HB   CYS  31          2HB       CYS  31   0.719  -1.483  -1.014
  211   2HB   CYS  31          1HB       CYS  31   0.213  -0.199  -2.113
  212    H    ALA  32           H        ALA  32  -3.095   0.316   0.523
  213    HA   ALA  32           HA       ALA  32  -3.615   2.415  -1.518
  214   1HB   ALA  32          1HB       ALA  32  -5.781   0.621  -0.372
  215   2HB   ALA  32          2HB       ALA  32  -5.056   0.386  -1.963
  216   3HB   ALA  32          3HB       ALA  32  -5.976   1.852  -1.621
  217    H    VAL  33           H        VAL  33  -5.472   3.910  -0.493
  218    HA   VAL  33           HA       VAL  33  -4.490   5.020   1.942
  219    HB   VAL  33           HB       VAL  33  -7.239   5.203   0.653
  220   1HG1  VAL  33          1HG1      VAL  33  -7.301   6.062   2.927
  221   2HG1  VAL  33          2HG1      VAL  33  -7.292   7.429   1.813
  222   3HG1  VAL  33          3HG1      VAL  33  -5.815   6.974   2.664
  223   1HG2  VAL  33          1HG2      VAL  33  -6.396   6.920  -0.693
  224   2HG2  VAL  33          2HG2      VAL  33  -5.023   5.815  -0.642
  225   3HG2  VAL  33          3HG2      VAL  33  -5.043   7.243   0.393
  226    H    GLU  34           H        GLU  34  -4.583   4.093   3.938
  227    HA   GLU  34           HA       GLU  34  -6.206   1.838   4.637
  228   1HB   GLU  34          2HB       GLU  34  -5.397   2.394   6.946
  229   2HB   GLU  34          1HB       GLU  34  -4.103   2.388   5.751
  230   1HG   GLU  34          2HG       GLU  34  -5.167   5.020   5.766
  231   2HG   GLU  34          1HG       GLU  34  -4.971   4.549   7.453
  232    H    ALA  35           H        ALA  35  -8.398   1.876   4.855
  233    HA   ALA  35           HA       ALA  35 -10.575   2.594   5.404
  234   1HB   ALA  35          1HB       ALA  35  -9.331   4.388   7.466
  235   2HB   ALA  35          2HB       ALA  35  -9.074   2.648   7.591
  236   3HB   ALA  35          3HB       ALA  35 -10.711   3.301   7.621
  237    HA   PRO  36           HA       PRO  36 -10.071   6.531   3.066
  238   1HB   PRO  36          2HB       PRO  36 -12.074   6.006   1.273
  239   2HB   PRO  36          1HB       PRO  36 -10.407   5.440   1.056
  240   1HG   PRO  36          2HG       PRO  36 -12.793   3.959   2.038
  241   2HG   PRO  36          1HG       PRO  36 -11.479   3.413   0.986
  242   1HD   PRO  36          2HD       PRO  36 -11.640   2.793   3.635
  243   2HD   PRO  36          1HD       PRO  36 -10.104   2.905   2.746
  Start of MODEL    9
    1   1H    ASP   1          1H        ASP   1   9.626  11.036  -6.238
    2   2H    ASP   1          2H        ASP   1  10.053  12.541  -6.898
    3   3H    ASP   1          3H        ASP   1   9.261  12.463  -5.397
    4    HA   ASP   1           HA       ASP   1  12.009  11.453  -5.961
    5   1HB   ASP   1          2HB       ASP   1  10.789  13.972  -4.872
    6   2HB   ASP   1          1HB       ASP   1  12.329  13.431  -4.203
    7    H    GLY   2           H        GLY   2  11.334   9.401  -4.929
    8   1HA   GLY   2          2HA       GLY   2  12.058   8.874  -2.389
    9   2HA   GLY   2          1HA       GLY   2  10.451   9.542  -2.110
   10    H    GLU   3           H        GLU   3  11.381   6.786  -1.630
   11    HA   GLU   3           HA       GLU   3  10.240   5.070  -3.699
   12   1HB   GLU   3          2HB       GLU   3  11.931   4.852  -1.465
   13   2HB   GLU   3          1HB       GLU   3  10.507   3.898  -1.047
   14   1HG   GLU   3          2HG       GLU   3  10.703   2.814  -3.341
   15   2HG   GLU   3          1HG       GLU   3  12.278   3.598  -3.482
   16    H    CYS   4           H        CYS   4   8.039   5.474  -4.004
   17    HA   CYS   4           HA       CYS   4   6.255   4.906  -1.672
   18   1HB   CYS   4          2HB       CYS   4   5.692   7.094  -1.661
   19   2HB   CYS   4          1HB       CYS   4   6.708   7.398  -3.065
   20    H    GLY   5           H        GLY   5   4.082   4.192  -2.370
   21   1HA   GLY   5          2HA       GLY   5   4.188   2.721  -4.936
   22   2HA   GLY   5          1HA       GLY   5   3.087   2.379  -3.602
   23    H    GLY   6           H        GLY   6   1.069   2.679  -4.462
   24   1HA   GLY   6          2HA       GLY   6   0.401   5.386  -5.482
   25   2HA   GLY   6          1HA       GLY   6   0.007   4.008  -6.506
   26    H    PHE   7           H        PHE   7  -2.279   4.394  -6.318
   27    HA   PHE   7           HA       PHE   7  -3.543   4.423  -3.656
   28   1HB   PHE   7          2HB       PHE   7  -4.309   5.792  -5.589
   29   2HB   PHE   7          1HB       PHE   7  -4.708   4.309  -6.456
   30    HD1  PHE   7           HD1      PHE   7  -5.522   6.358  -3.463
   31    HD2  PHE   7           HD2      PHE   7  -6.704   3.072  -5.968
   32    HE1  PHE   7           HE1      PHE   7  -7.725   6.281  -2.326
   33    HE2  PHE   7           HE2      PHE   7  -8.905   2.998  -4.831
   34    HZ   PHE   7           HZ       PHE   7  -9.416   4.601  -3.010
   35    H    TRP   8           H        TRP   8  -2.868   2.038  -6.151
   36    HA   TRP   8           HA       TRP   8  -4.013  -0.060  -4.394
   37   1HB   TRP   8          2HB       TRP   8  -5.351  -0.965  -6.290
   38   2HB   TRP   8          1HB       TRP   8  -5.863   0.660  -5.847
   39    HD1  TRP   8           HD1      TRP   8  -4.693   2.683  -7.417
   40    HE1  TRP   8           HE1      TRP   8  -4.300   2.675  -9.962
   41    HE3  TRP   8           HE3      TRP   8  -4.932  -2.338  -8.334
   42    HZ2  TRP   8           HZ2      TRP   8  -4.117   0.794 -12.106
   43    HZ3  TRP   8           HZ3      TRP   8  -4.647  -3.207 -10.638
   44    HH2  TRP   8           HH2      TRP   8  -4.240  -1.649 -12.522
   45    H    TRP   9           H        TRP   9  -1.404   0.077  -4.536
   46    HA   TRP   9           HA       TRP   9  -0.369  -1.457  -6.875
   47   1HB   TRP   9          2HB       TRP   9   0.843  -0.006  -4.505
   48   2HB   TRP   9          1HB       TRP   9   1.824  -0.973  -5.606
   49    HD1  TRP   9           HD1      TRP   9  -1.145   1.049  -6.903
   50    HE1  TRP   9           HE1      TRP   9  -0.275   2.945  -8.404
   51    HE3  TRP   9           HE3      TRP   9   3.879   0.575  -6.105
   52    HZ2  TRP   9           HZ2      TRP   9   2.204   4.118  -9.153
   53    HZ3  TRP   9           HZ3      TRP   9   5.473   2.099  -7.236
   54    HH2  TRP   9           HH2      TRP   9   4.642   3.867  -8.764
   55    H    LYS  10           H        LYS  10   0.788  -3.510  -6.516
   56    HA   LYS  10           HA       LYS  10  -0.432  -5.080  -4.330
   57   1HB   LYS  10          2HB       LYS  10   0.926  -5.532  -6.914
   58   2HB   LYS  10          1HB       LYS  10   1.229  -6.768  -5.693
   59   1HG   LYS  10          2HG       LYS  10  -0.836  -7.622  -5.960
   60   2HG   LYS  10          1HG       LYS  10  -1.572  -6.043  -5.687
   61   1HD   LYS  10          2HD       LYS  10  -0.287  -6.658  -8.337
   62   2HD   LYS  10          1HD       LYS  10  -1.923  -7.226  -7.996
   63   1HE   LYS  10          2HE       LYS  10  -2.218  -4.679  -7.183
   64   2HE   LYS  10          1HE       LYS  10  -0.937  -4.436  -8.387
   65   1HZ   LYS  10          1HZ       LYS  10  -3.498  -5.886  -8.817
   66   2HZ   LYS  10          2HZ       LYS  10  -2.247  -5.759  -9.961
   67   3HZ   LYS  10          3HZ       LYS  10  -3.089  -4.371  -9.462
   68    H    CYS  11           H        CYS  11   0.609  -5.695  -2.499
   69    HA   CYS  11           HA       CYS  11   3.559  -5.782  -2.415
   70   1HB   CYS  11          2HB       CYS  11   3.644  -4.225  -0.519
   71   2HB   CYS  11          1HB       CYS  11   2.862  -3.443  -1.889
   72    H    GLY  12           H        GLY  12   4.223  -6.568  -0.081
   73   1HA   GLY  12          2HA       GLY  12   2.503  -8.871   0.577
   74   2HA   GLY  12          1HA       GLY  12   4.115  -8.563   1.224
   75    H    ARG  13           H        ARG  13   3.864  -8.446   3.420
   76    HA   ARG  13           HA       ARG  13   1.475  -7.134   4.592
   77   1HB   ARG  13          2HB       ARG  13   2.875  -9.334   5.258
   78   2HB   ARG  13          1HB       ARG  13   3.777  -8.153   6.210
   79   1HG   ARG  13          2HG       ARG  13   1.073  -7.513   6.630
   80   2HG   ARG  13          1HG       ARG  13   1.144  -9.274   6.702
   81   1HD   ARG  13          2HD       ARG  13   3.416  -8.278   8.122
   82   2HD   ARG  13          1HD       ARG  13   1.986  -7.404   8.705
   83    HE   ARG  13           HE       ARG  13   2.391 -10.336   8.845
   84   1HH1  ARG  13          1HH2      ARG  13   1.476  -8.306  11.021
   85   2HH1  ARG  13          2HH2      ARG  13  -0.176  -8.790  11.210
   86   1HH2  ARG  13          1HH1      ARG  13  -0.242 -10.659   8.280
   87   2HH2  ARG  13          2HH1      ARG  13  -1.152 -10.126   9.654
   88    H    GLY  14           H        GLY  14   2.819  -5.192   3.242
   89   1HA   GLY  14          2HA       GLY  14   3.483  -2.964   3.741
   90   2HA   GLY  14          1HA       GLY  14   3.808  -3.459   5.403
   91    H    LYS  15           H        LYS  15   5.078  -4.915   2.401
   92    HA   LYS  15           HA       LYS  15   7.798  -4.813   3.489
   93   1HB   LYS  15          2HB       LYS  15   6.293  -6.226   1.459
   94   2HB   LYS  15          1HB       LYS  15   7.818  -5.645   0.794
   95   1HG   LYS  15          2HG       LYS  15   8.191  -6.728   3.466
   96   2HG   LYS  15          1HG       LYS  15   7.459  -7.920   2.389
   97   1HD   LYS  15          2HD       LYS  15   9.255  -7.816   0.856
   98   2HD   LYS  15          1HD       LYS  15   9.845  -6.292   1.521
   99   1HE   LYS  15          2HE       LYS  15  10.184  -7.661   3.729
  100   2HE   LYS  15          1HE       LYS  15  10.117  -9.072   2.655
  101   1HZ   LYS  15          1HZ       LYS  15  11.797  -8.030   1.248
  102   2HZ   LYS  15          2HZ       LYS  15  12.382  -8.245   2.828
  103   3HZ   LYS  15          3HZ       LYS  15  11.887  -6.705   2.306
  104    HA   PRO  16           HA       PRO  16   8.581  -1.853  -0.147
  105   1HB   PRO  16          2HB       PRO  16   6.536  -1.222  -1.847
  106   2HB   PRO  16          1HB       PRO  16   7.576  -2.640  -2.079
  107   1HG   PRO  16          2HG       PRO  16   4.819  -2.474  -1.002
  108   2HG   PRO  16          1HG       PRO  16   5.573  -3.734  -1.988
  109   1HD   PRO  16          2HD       PRO  16   5.166  -3.904   0.736
  110   2HD   PRO  16          1HD       PRO  16   6.368  -4.845  -0.170
  111    HA   PRO  17           HA       PRO  17   6.921   1.547   2.180
  112   1HB   PRO  17          2HB       PRO  17   8.367   3.561   1.024
  113   2HB   PRO  17          1HB       PRO  17   9.062   2.419   2.191
  114   1HG   PRO  17          2HG       PRO  17   9.267   2.452  -0.777
  115   2HG   PRO  17          1HG       PRO  17  10.493   2.044   0.434
  116   1HD   PRO  17          2HD       PRO  17   9.111   0.179  -0.998
  117   2HD   PRO  17          1HD       PRO  17   9.770  -0.120   0.625
  118    H    CYS  18           H        CYS  18   4.836   2.155   1.672
  119    HA   CYS  18           HA       CYS  18   4.056   2.897  -1.063
  120   1HB   CYS  18          2HB       CYS  18   2.841   1.870   1.276
  121   2HB   CYS  18          1HB       CYS  18   2.108   3.452   1.016
  122    H    CYS  19           H        CYS  19   2.581   4.998  -1.145
  123    HA   CYS  19           HA       CYS  19   4.257   7.286  -0.518
  124   1HB   CYS  19          2HB       CYS  19   1.898   6.611  -2.046
  125   2HB   CYS  19          1HB       CYS  19   1.588   8.074  -1.113
  126    H    LYS  20           H        LYS  20   3.769   8.969   1.047
  127    HA   LYS  20           HA       LYS  20   2.971   8.174   3.608
  128   1HB   LYS  20          2HB       LYS  20   2.863  10.584   4.073
  129   2HB   LYS  20          1HB       LYS  20   4.220  10.233   3.006
  130   1HG   LYS  20          2HG       LYS  20   2.279  10.668   1.163
  131   2HG   LYS  20          1HG       LYS  20   1.716  11.725   2.457
  132   1HD   LYS  20          2HD       LYS  20   4.533  12.077   2.254
  133   2HD   LYS  20          1HD       LYS  20   3.880  12.155   0.618
  134   1HE   LYS  20          2HE       LYS  20   2.563  14.027   1.087
  135   2HE   LYS  20          1HE       LYS  20   2.496  13.668   2.823
  136   1HZ   LYS  20          1HZ       LYS  20   4.969  14.410   1.348
  137   2HZ   LYS  20          2HZ       LYS  20   4.826  14.159   3.023
  138   3HZ   LYS  20          3HZ       LYS  20   4.059  15.486   2.292
  139    H    GLY  21           H        GLY  21   1.009   7.599   4.414
  140   1HA   GLY  21          2HA       GLY  21  -1.338   8.134   4.870
  141   2HA   GLY  21          1HA       GLY  21  -1.451   8.828   3.253
  142    H    TYR  22           H        TYR  22   0.120   6.437   2.167
  143    HA   TYR  22           HA       TYR  22  -2.230   4.677   1.780
  144   1HB   TYR  22          2HB       TYR  22   0.549   4.837   0.562
  145   2HB   TYR  22          1HB       TYR  22  -0.681   3.685   0.051
  146    HD1  TYR  22           HD1      TYR  22  -2.483   4.340  -1.376
  147    HD2  TYR  22           HD2      TYR  22   0.119   7.312   0.309
  148    HE1  TYR  22           HE1      TYR  22  -3.452   6.050  -2.887
  149    HE2  TYR  22           HE2      TYR  22  -0.855   9.020  -1.198
  150    HH   TYR  22           HH       TYR  22  -2.254   8.583  -3.801
  151    H    ALA  23           H        ALA  23  -2.354   2.606   2.636
  152    HA   ALA  23           HA       ALA  23   0.020   1.587   4.172
  153   1HB   ALA  23          1HB       ALA  23  -1.684   2.245   5.710
  154   2HB   ALA  23          2HB       ALA  23  -1.849   0.496   5.568
  155   3HB   ALA  23          3HB       ALA  23  -2.959   1.559   4.702
  156    H    CYS  24           H        CYS  24   0.401  -0.697   4.031
  157    HA   CYS  24           HA       CYS  24  -0.685  -1.972   1.589
  158   1HB   CYS  24          2HB       CYS  24   1.647  -2.214   3.385
  159   2HB   CYS  24          1HB       CYS  24   1.045  -3.753   2.772
  160    H    SER  25           H        SER  25  -1.475  -4.245   1.713
  161    HA   SER  25           HA       SER  25  -2.689  -4.961   4.350
  162   1HB   SER  25          2HB       SER  25  -4.082  -3.715   2.412
  163   2HB   SER  25          1HB       SER  25  -4.251  -5.374   1.845
  164    HG   SER  25           HG       SER  25  -5.352  -4.121   4.020
  165    H    LYS  26           H        LYS  26  -2.028  -7.009   4.836
  166    HA   LYS  26           HA       LYS  26  -0.906  -8.810   2.838
  167   1HB   LYS  26          2HB       LYS  26  -0.278  -8.593   5.293
  168   2HB   LYS  26          1HB       LYS  26  -1.803  -9.388   5.679
  169   1HG   LYS  26          2HG       LYS  26  -0.143 -11.116   5.634
  170   2HG   LYS  26          1HG       LYS  26  -1.070 -11.283   4.145
  171   1HD   LYS  26          2HD       LYS  26   1.041  -9.431   3.639
  172   2HD   LYS  26          1HD       LYS  26   1.746 -10.836   4.439
  173   1HE   LYS  26          2HE       LYS  26  -0.241 -11.483   2.334
  174   2HE   LYS  26          1HE       LYS  26   1.259 -10.735   1.753
  175   1HZ   LYS  26          1HZ       LYS  26   2.535 -12.330   3.017
  176   2HZ   LYS  26          2HZ       LYS  26   1.471 -13.158   1.982
  177   3HZ   LYS  26          3HZ       LYS  26   1.121 -13.031   3.639
  178    H    THR  27           H        THR  27  -3.995  -8.526   4.563
  179    HA   THR  27           HA       THR  27  -5.164 -11.010   3.725
  180    HB   THR  27           HB       THR  27  -6.509  -8.350   4.317
  181    HG1  THR  27           HG1      THR  27  -5.774 -10.426   6.106
  182   1HG2  THR  27          1HG2      THR  27  -7.459 -11.204   4.695
  183   2HG2  THR  27          2HG2      THR  27  -7.974 -10.129   3.395
  184   3HG2  THR  27          3HG2      THR  27  -8.375  -9.742   5.069
  185    H    TRP  28           H        TRP  28  -5.243  -7.736   2.338
  186    HA   TRP  28           HA       TRP  28  -6.854  -8.561   0.026
  187   1HB   TRP  28          2HB       TRP  28  -5.284  -6.024   0.591
  188   2HB   TRP  28          1HB       TRP  28  -6.554  -6.209  -0.607
  189    HD1  TRP  28           HD1      TRP  28  -8.115  -8.121   1.817
  190    HE1  TRP  28           HE1      TRP  28  -9.560  -6.770   3.465
  191    HE3  TRP  28           HE3      TRP  28  -6.228  -3.442   1.023
  192    HZ2  TRP  28           HZ2      TRP  28  -9.885  -4.064   4.327
  193    HZ3  TRP  28           HZ3      TRP  28  -7.125  -1.498   2.269
  194    HH2  TRP  28           HH2      TRP  28  -8.950  -1.805   3.919
  195    H    GLY  29           H        GLY  29  -3.476  -7.524   0.586
  196   1HA   GLY  29          2HA       GLY  29  -1.607  -8.639  -0.512
  197   2HA   GLY  29          1HA       GLY  29  -2.679  -9.040  -1.850
  198    H    TRP  30           H        TRP  30  -2.955  -5.790  -0.631
  199    HA   TRP  30           HA       TRP  30  -0.988  -4.742  -2.581
  200   1HB   TRP  30          2HB       TRP  30  -2.659  -3.592  -3.899
  201   2HB   TRP  30          1HB       TRP  30  -3.137  -5.279  -3.789
  202    HD1  TRP  30           HD1      TRP  30  -3.852  -1.968  -1.907
  203    HE1  TRP  30           HE1      TRP  30  -6.314  -1.986  -1.176
  204    HE3  TRP  30           HE3      TRP  30  -5.232  -6.596  -3.569
  205    HZ2  TRP  30           HZ2      TRP  30  -8.581  -3.724  -1.284
  206    HZ3  TRP  30           HZ3      TRP  30  -7.553  -7.404  -3.246
  207    HH2  TRP  30           HH2      TRP  30  -9.227  -5.972  -2.107
  208    H    CYS  31           H        CYS  31  -1.460  -2.148  -2.631
  209    HA   CYS  31           HA       CYS  31  -1.686  -1.277   0.233
  210   1HB   CYS  31          2HB       CYS  31   0.620  -1.328  -0.736
  211   2HB   CYS  31          1HB       CYS  31   0.091  -0.205  -1.987
  212    H    ALA  32           H        ALA  32  -3.160   0.313   0.589
  213    HA   ALA  32           HA       ALA  32  -3.967   2.136  -1.634
  214   1HB   ALA  32          1HB       ALA  32  -5.495  -0.045  -0.399
  215   2HB   ALA  32          2HB       ALA  32  -5.821   0.841  -1.887
  216   3HB   ALA  32          3HB       ALA  32  -6.344   1.499  -0.338
  217    H    VAL  33           H        VAL  33  -5.531   3.885  -0.621
  218    HA   VAL  33           HA       VAL  33  -4.173   5.156   1.592
  219    HB   VAL  33           HB       VAL  33  -6.891   5.640   0.316
  220   1HG1  VAL  33          1HG1      VAL  33  -5.271   7.766   1.676
  221   2HG1  VAL  33          2HG1      VAL  33  -6.228   6.672   2.676
  222   3HG1  VAL  33          3HG1      VAL  33  -7.017   7.664   1.450
  223   1HG2  VAL  33          1HG2      VAL  33  -4.161   6.869  -0.191
  224   2HG2  VAL  33          2HG2      VAL  33  -5.664   7.389  -0.952
  225   3HG2  VAL  33          3HG2      VAL  33  -5.022   5.779  -1.279
  226    H    GLU  34           H        GLU  34  -4.751   5.245   3.780
  227    HA   GLU  34           HA       GLU  34  -6.320   3.063   4.876
  228   1HB   GLU  34          2HB       GLU  34  -5.008   5.558   5.985
  229   2HB   GLU  34          1HB       GLU  34  -5.842   4.395   7.017
  230   1HG   GLU  34          2HG       GLU  34  -4.352   2.614   5.871
  231   2HG   GLU  34          1HG       GLU  34  -3.368   3.977   5.342
  232    H    ALA  35           H        ALA  35  -8.533   3.083   4.724
  233    HA   ALA  35           HA       ALA  35  -9.971   5.610   5.448
  234   1HB   ALA  35          1HB       ALA  35 -10.431   5.679   3.212
  235   2HB   ALA  35          2HB       ALA  35 -11.595   4.410   3.591
  236   3HB   ALA  35          3HB       ALA  35  -9.997   3.985   2.979
  237    HA   PRO  36           HA       PRO  36 -11.897   2.637   8.162
  238   1HB   PRO  36          2HB       PRO  36 -13.667   4.371   9.328
  239   2HB   PRO  36          1HB       PRO  36 -11.946   4.305   9.760
  240   1HG   PRO  36          2HG       PRO  36 -13.386   6.230   8.011
  241   2HG   PRO  36          1HG       PRO  36 -12.059   6.511   9.148
  242   1HD   PRO  36          2HD       PRO  36 -11.735   6.343   6.436
  243   2HD   PRO  36          1HD       PRO  36 -10.459   5.962   7.613
  Start of MODEL   10
    1   1H    ASP   1          1H        ASP   1  15.018   7.456  -3.329
    2   2H    ASP   1          2H        ASP   1  16.478   8.003  -4.002
    3   3H    ASP   1          3H        ASP   1  15.245   7.409  -5.010
    4    HA   ASP   1           HA       ASP   1  15.121   9.899  -3.375
    5   1HB   ASP   1          2HB       ASP   1  16.363   9.293  -5.809
    6   2HB   ASP   1          1HB       ASP   1  14.832  10.028  -6.283
    7    H    GLY   2           H        GLY   2  13.023   9.760  -2.550
    8   1HA   GLY   2          2HA       GLY   2  10.676   9.938  -2.644
    9   2HA   GLY   2          1HA       GLY   2  10.800   9.988  -4.404
   10    H    GLU   3           H        GLU   3  10.436   7.889  -1.617
   11    HA   GLU   3           HA       GLU   3  10.062   5.548  -3.455
   12   1HB   GLU   3          2HB       GLU   3  11.460   6.005  -0.966
   13   2HB   GLU   3          1HB       GLU   3  10.258   4.733  -0.748
   14   1HG   GLU   3          2HG       GLU   3  11.179   3.415  -2.503
   15   2HG   GLU   3          1HG       GLU   3  12.151   4.759  -3.102
   16    H    CYS   4           H        CYS   4   7.818   6.030  -3.914
   17    HA   CYS   4           HA       CYS   4   5.995   5.330  -1.658
   18   1HB   CYS   4          2HB       CYS   4   5.153   7.420  -1.607
   19   2HB   CYS   4          1HB       CYS   4   6.386   7.913  -2.760
   20    H    GLY   5           H        GLY   5   4.027   4.332  -2.376
   21   1HA   GLY   5          2HA       GLY   5   4.263   2.991  -4.979
   22   2HA   GLY   5          1HA       GLY   5   3.072   2.626  -3.732
   23    H    GLY   6           H        GLY   6   1.050   3.078  -4.406
   24   1HA   GLY   6          2HA       GLY   6   0.467   5.681  -5.667
   25   2HA   GLY   6          1HA       GLY   6   0.078   4.254  -6.626
   26    H    PHE   7           H        PHE   7  -2.201   4.490  -6.522
   27    HA   PHE   7           HA       PHE   7  -3.513   4.719  -3.873
   28   1HB   PHE   7          2HB       PHE   7  -4.079   5.379  -6.602
   29   2HB   PHE   7          1HB       PHE   7  -5.335   4.277  -6.039
   30    HD1  PHE   7           HD1      PHE   7  -7.024   5.009  -4.544
   31    HD2  PHE   7           HD2      PHE   7  -3.536   7.433  -5.187
   32    HE1  PHE   7           HE1      PHE   7  -8.071   6.855  -3.261
   33    HE2  PHE   7           HE2      PHE   7  -4.584   9.279  -3.904
   34    HZ   PHE   7           HZ       PHE   7  -6.850   8.990  -2.940
   35    H    TRP   8           H        TRP   8  -2.856   2.270  -6.317
   36    HA   TRP   8           HA       TRP   8  -3.936   0.188  -4.493
   37   1HB   TRP   8          2HB       TRP   8  -5.810   0.869  -5.922
   38   2HB   TRP   8          1HB       TRP   8  -4.816   0.666  -7.363
   39    HD1  TRP   8           HD1      TRP   8  -5.671  -1.608  -4.325
   40    HE1  TRP   8           HE1      TRP   8  -6.243  -3.952  -5.236
   41    HE3  TRP   8           HE3      TRP   8  -5.084  -0.775  -9.328
   42    HZ2  TRP   8           HZ2      TRP   8  -6.428  -5.295  -7.760
   43    HZ3  TRP   8           HZ3      TRP   8  -5.465  -2.597 -10.961
   44    HH2  TRP   8           HH2      TRP   8  -6.136  -4.854 -10.185
   45    H    TRP   9           H        TRP   9  -1.460   0.030  -4.463
   46    HA   TRP   9           HA       TRP   9  -0.340  -1.343  -6.881
   47   1HB   TRP   9          2HB       TRP   9   0.799   0.107  -4.479
   48   2HB   TRP   9          1HB       TRP   9   1.823  -0.870  -5.530
   49    HD1  TRP   9           HD1      TRP   9  -1.091   1.173  -6.935
   50    HE1  TRP   9           HE1      TRP   9  -0.154   3.041  -8.430
   51    HE3  TRP   9           HE3      TRP   9   3.900   0.641  -5.994
   52    HZ2  TRP   9           HZ2      TRP   9   2.363   4.171  -9.131
   53    HZ3  TRP   9           HZ3      TRP   9   5.542   2.135  -7.094
   54    HH2  TRP   9           HH2      TRP   9   4.782   3.894  -8.664
   55    H    LYS  10           H        LYS  10   0.946  -3.353  -6.469
   56    HA   LYS  10           HA       LYS  10  -0.336  -5.004  -4.371
   57   1HB   LYS  10          2HB       LYS  10   1.126  -5.377  -6.910
   58   2HB   LYS  10          1HB       LYS  10   1.432  -6.614  -5.693
   59   1HG   LYS  10          2HG       LYS  10  -0.461  -7.389  -6.926
   60   2HG   LYS  10          1HG       LYS  10  -1.102  -6.771  -5.404
   61   1HD   LYS  10          2HD       LYS  10  -1.676  -4.640  -6.492
   62   2HD   LYS  10          1HD       LYS  10  -1.009  -5.229  -8.016
   63   1HE   LYS  10          2HE       LYS  10  -2.729  -7.260  -7.448
   64   2HE   LYS  10          1HE       LYS  10  -3.594  -5.895  -6.713
   65   1HZ   LYS  10          1HZ       LYS  10  -3.379  -4.652  -8.736
   66   2HZ   LYS  10          2HZ       LYS  10  -4.063  -6.161  -9.117
   67   3HZ   LYS  10          3HZ       LYS  10  -2.422  -5.861  -9.446
   68    H    CYS  11           H        CYS  11   0.666  -5.624  -2.502
   69    HA   CYS  11           HA       CYS  11   3.612  -5.606  -2.331
   70   1HB   CYS  11          2HB       CYS  11   3.629  -4.061  -0.444
   71   2HB   CYS  11          1HB       CYS  11   2.792  -3.295  -1.790
   72    H    GLY  12           H        GLY  12   4.291  -6.458  -0.076
   73   1HA   GLY  12          2HA       GLY  12   2.555  -8.758   0.586
   74   2HA   GLY  12          1HA       GLY  12   4.217  -8.524   1.131
   75    H    ARG  13           H        ARG  13   4.392  -8.069   3.255
   76    HA   ARG  13           HA       ARG  13   2.023  -7.126   4.774
   77   1HB   ARG  13          2HB       ARG  13   4.154  -8.886   5.187
   78   2HB   ARG  13          1HB       ARG  13   4.563  -7.502   6.198
   79   1HG   ARG  13          2HG       ARG  13   1.808  -8.738   6.228
   80   2HG   ARG  13          1HG       ARG  13   3.102  -9.321   7.272
   81   1HD   ARG  13          2HD       ARG  13   3.235  -7.271   8.454
   82   2HD   ARG  13          1HD       ARG  13   2.361  -6.388   7.189
   83    HE   ARG  13           HE       ARG  13   0.308  -7.485   7.891
   84   1HH1  ARG  13          1HH2      ARG  13   1.281  -6.484  10.521
   85   2HH1  ARG  13          2HH2      ARG  13   1.201  -7.900  11.515
   86   1HH2  ARG  13          1HH1      ARG  13   0.994 -10.098   8.829
   87   2HH2  ARG  13          2HH1      ARG  13   1.037  -9.952  10.556
   88    H    GLY  14           H        GLY  14   3.145  -5.153   2.980
   89   1HA   GLY  14          2HA       GLY  14   3.467  -2.810   3.214
   90   2HA   GLY  14          1HA       GLY  14   3.793  -3.049   4.931
   91    H    LYS  15           H        LYS  15   5.416  -4.851   2.344
   92    HA   LYS  15           HA       LYS  15   8.031  -4.228   3.397
   93   1HB   LYS  15          2HB       LYS  15   6.900  -6.119   1.743
   94   2HB   LYS  15          1HB       LYS  15   7.857  -5.161   0.613
   95   1HG   LYS  15          2HG       LYS  15   9.817  -5.918   1.453
   96   2HG   LYS  15          1HG       LYS  15   9.271  -5.741   3.120
   97   1HD   LYS  15          2HD       LYS  15   9.603  -8.089   2.769
   98   2HD   LYS  15          1HD       LYS  15   7.859  -7.827   2.755
   99   1HE   LYS  15          2HE       LYS  15   8.847  -7.449   0.081
  100   2HE   LYS  15          1HE       LYS  15   9.442  -9.003   0.697
  101   1HZ   LYS  15          1HZ       LYS  15   6.629  -8.056   0.882
  102   2HZ   LYS  15          2HZ       LYS  15   7.218  -9.557   1.419
  103   3HZ   LYS  15          3HZ       LYS  15   7.196  -9.194  -0.241
  104    HA   PRO  16           HA       PRO  16   8.480  -1.356  -0.394
  105   1HB   PRO  16          2HB       PRO  16   6.279  -0.874  -1.947
  106   2HB   PRO  16          1HB       PRO  16   7.394  -2.222  -2.250
  107   1HG   PRO  16          2HG       PRO  16   4.723  -2.230  -0.952
  108   2HG   PRO  16          1HG       PRO  16   5.467  -3.433  -2.015
  109   1HD   PRO  16          2HD       PRO  16   5.305  -3.676   0.715
  110   2HD   PRO  16          1HD       PRO  16   6.528  -4.484  -0.288
  111    HA   PRO  17           HA       PRO  17   6.753   1.870   2.128
  112   1HB   PRO  17          2HB       PRO  17   8.113   3.975   1.026
  113   2HB   PRO  17          1HB       PRO  17   8.858   2.817   2.145
  114   1HG   PRO  17          2HG       PRO  17   9.039   2.970  -0.820
  115   2HG   PRO  17          1HG       PRO  17  10.281   2.547   0.368
  116   1HD   PRO  17          2HD       PRO  17   8.931   0.709  -1.136
  117   2HD   PRO  17          1HD       PRO  17   9.631   0.358   0.459
  118    H    CYS  18           H        CYS  18   4.597   2.237   1.584
  119    HA   CYS  18           HA       CYS  18   3.744   3.108  -1.063
  120   1HB   CYS  18          2HB       CYS  18   2.605   2.054   1.315
  121   2HB   CYS  18          1HB       CYS  18   1.833   3.618   1.057
  122    H    CYS  19           H        CYS  19   2.284   5.233  -1.097
  123    HA   CYS  19           HA       CYS  19   4.012   7.456  -0.245
  124   1HB   CYS  19          2HB       CYS  19   1.241   7.812  -1.358
  125   2HB   CYS  19          1HB       CYS  19   2.699   8.736  -1.697
  126    H    LYS  20           H        LYS  20   3.442   9.021   1.357
  127    HA   LYS  20           HA       LYS  20   2.287   8.240   3.735
  128   1HB   LYS  20          2HB       LYS  20   2.137  10.624   4.238
  129   2HB   LYS  20          1HB       LYS  20   3.577  10.324   3.267
  130   1HG   LYS  20          2HG       LYS  20   2.165  10.920   1.224
  131   2HG   LYS  20          1HG       LYS  20   0.940  11.495   2.355
  132   1HD   LYS  20          2HD       LYS  20   2.166  13.325   2.972
  133   2HD   LYS  20          1HD       LYS  20   3.703  12.468   2.841
  134   1HE   LYS  20          2HE       LYS  20   4.010  13.596   0.886
  135   2HE   LYS  20          1HE       LYS  20   2.735  12.567   0.205
  136   1HZ   LYS  20          1HZ       LYS  20   1.078  14.115   1.033
  137   2HZ   LYS  20          2HZ       LYS  20   2.167  14.920   0.007
  138   3HZ   LYS  20          3HZ       LYS  20   2.289  15.103   1.693
  139    H    GLY  21           H        GLY  21   0.256   7.734   4.399
  140   1HA   GLY  21          2HA       GLY  21  -2.123   8.311   4.591
  141   2HA   GLY  21          1HA       GLY  21  -2.071   8.883   2.924
  142    H    TYR  22           H        TYR  22  -0.432   6.421   2.147
  143    HA   TYR  22           HA       TYR  22  -2.774   4.603   1.837
  144   1HB   TYR  22          2HB       TYR  22  -0.056   4.536   0.486
  145   2HB   TYR  22          1HB       TYR  22  -1.525   3.726  -0.045
  146    HD1  TYR  22           HD1      TYR  22  -3.342   6.220   0.691
  147    HD2  TYR  22           HD2      TYR  22   0.234   5.708  -1.630
  148    HE1  TYR  22           HE1      TYR  22  -3.937   8.206  -0.667
  149    HE2  TYR  22           HE2      TYR  22  -0.361   7.693  -2.988
  150    HH   TYR  22           HH       TYR  22  -2.061   9.946  -2.300
  151    H    ALA  23           H        ALA  23  -2.780   2.562   2.750
  152    HA   ALA  23           HA       ALA  23  -0.319   1.690   4.236
  153   1HB   ALA  23          1HB       ALA  23  -1.991   2.207   5.826
  154   2HB   ALA  23          2HB       ALA  23  -2.162   0.465   5.620
  155   3HB   ALA  23          3HB       ALA  23  -3.280   1.563   4.810
  156    H    CYS  24           H        CYS  24   0.203  -0.572   4.098
  157    HA   CYS  24           HA       CYS  24  -0.815  -1.911   1.663
  158   1HB   CYS  24          2HB       CYS  24   1.547  -1.975   3.413
  159   2HB   CYS  24          1HB       CYS  24   1.034  -3.575   2.882
  160    H    SER  25           H        SER  25  -1.509  -4.187   1.746
  161    HA   SER  25           HA       SER  25  -2.669  -5.017   4.380
  162   1HB   SER  25          2HB       SER  25  -3.917  -4.619   1.683
  163   2HB   SER  25          1HB       SER  25  -4.566  -5.870   2.740
  164    HG   SER  25           HG       SER  25  -4.593  -3.102   2.990
  165    H    LYS  26           H        LYS  26  -1.534  -6.875   4.855
  166    HA   LYS  26           HA       LYS  26  -0.355  -8.619   2.877
  167   1HB   LYS  26          2HB       LYS  26   0.422  -8.318   5.215
  168   2HB   LYS  26          1HB       LYS  26  -1.067  -9.059   5.798
  169   1HG   LYS  26          2HG       LYS  26   0.730 -10.725   5.767
  170   2HG   LYS  26          1HG       LYS  26  -0.490 -11.140   4.564
  171   1HD   LYS  26          2HD       LYS  26   0.888 -10.111   2.798
  172   2HD   LYS  26          1HD       LYS  26   2.105  -9.675   3.998
  173   1HE   LYS  26          2HE       LYS  26   2.791 -11.890   4.305
  174   2HE   LYS  26          1HE       LYS  26   1.242 -12.551   3.746
  175   1HZ   LYS  26          1HZ       LYS  26   2.990 -12.734   2.044
  176   2HZ   LYS  26          2HZ       LYS  26   3.160 -11.043   2.046
  177   3HZ   LYS  26          3HZ       LYS  26   1.704 -11.753   1.533
  178    H    THR  27           H        THR  27  -3.403  -8.684   4.698
  179    HA   THR  27           HA       THR  27  -4.267 -11.322   3.924
  180    HB   THR  27           HB       THR  27  -5.933  -8.865   4.581
  181    HG1  THR  27           HG1      THR  27  -4.928  -8.951   6.412
  182   1HG2  THR  27          1HG2      THR  27  -6.445 -11.773   4.370
  183   2HG2  THR  27          2HG2      THR  27  -7.553 -10.416   4.179
  184   3HG2  THR  27          3HG2      THR  27  -7.127 -10.984   5.793
  185    H    TRP  28           H        TRP  28  -4.681  -8.108   2.484
  186    HA   TRP  28           HA       TRP  28  -6.373  -9.126   0.294
  187   1HB   TRP  28          2HB       TRP  28  -5.107  -6.428   0.895
  188   2HB   TRP  28          1HB       TRP  28  -6.287  -6.720  -0.378
  189    HD1  TRP  28           HD1      TRP  28  -7.398  -8.888   2.263
  190    HE1  TRP  28           HE1      TRP  28  -9.198  -7.791   3.738
  191    HE3  TRP  28           HE3      TRP  28  -6.844  -4.002   0.864
  192    HZ2  TRP  28           HZ2      TRP  28 -10.274  -5.200   4.254
  193    HZ3  TRP  28           HZ3      TRP  28  -8.277  -2.244   1.866
  194    HH2  TRP  28           HH2      TRP  28  -9.989  -2.838   3.557
  195    H    GLY  29           H        GLY  29  -3.107  -7.680   0.617
  196   1HA   GLY  29          2HA       GLY  29  -1.214  -8.676  -0.588
  197   2HA   GLY  29          1HA       GLY  29  -2.326  -9.118  -1.878
  198    H    TRP  30           H        TRP  30  -2.795  -5.910  -0.606
  199    HA   TRP  30           HA       TRP  30  -0.950  -4.714  -2.589
  200   1HB   TRP  30          2HB       TRP  30  -2.683  -3.732  -3.919
  201   2HB   TRP  30          1HB       TRP  30  -3.121  -5.424  -3.718
  202    HD1  TRP  30           HD1      TRP  30  -3.885  -2.024  -2.030
  203    HE1  TRP  30           HE1      TRP  30  -6.326  -2.065  -1.231
  204    HE3  TRP  30           HE3      TRP  30  -5.158  -6.797  -3.325
  205    HZ2  TRP  30           HZ2      TRP  30  -8.540  -3.874  -1.154
  206    HZ3  TRP  30           HZ3      TRP  30  -7.444  -7.650  -2.880
  207    HH2  TRP  30           HH2      TRP  30  -9.133  -6.194  -1.798
  208    H    CYS  31           H        CYS  31  -1.443  -2.178  -2.596
  209    HA   CYS  31           HA       CYS  31  -1.795  -1.307   0.256
  210   1HB   CYS  31          2HB       CYS  31   0.542  -1.286  -0.669
  211   2HB   CYS  31          1HB       CYS  31   0.002  -0.163  -1.911
  212    H    ALA  32           H        ALA  32  -3.385   0.188   0.535
  213    HA   ALA  32           HA       ALA  32  -4.104   2.039  -1.683
  214   1HB   ALA  32          1HB       ALA  32  -6.533   1.388  -1.245
  215   2HB   ALA  32          2HB       ALA  32  -5.910   0.027  -0.312
  216   3HB   ALA  32          3HB       ALA  32  -5.557   0.150  -2.034
  217    H    VAL  33           H        VAL  33  -5.877   3.620  -0.771
  218    HA   VAL  33           HA       VAL  33  -4.839   4.846   1.641
  219    HB   VAL  33           HB       VAL  33  -7.499   5.347   0.262
  220   1HG1  VAL  33          1HG1      VAL  33  -7.392   6.680   2.194
  221   2HG1  VAL  33          2HG1      VAL  33  -6.757   7.752   0.947
  222   3HG1  VAL  33          3HG1      VAL  33  -5.651   6.927   2.044
  223   1HG2  VAL  33          1HG2      VAL  33  -6.305   5.793  -1.609
  224   2HG2  VAL  33          2HG2      VAL  33  -4.772   5.640  -0.754
  225   3HG2  VAL  33          3HG2      VAL  33  -5.640   7.174  -0.738
  226    H    GLU  34           H        GLU  34  -5.130   3.700   3.554
  227    HA   GLU  34           HA       GLU  34  -7.566   2.154   4.089
  228   1HB   GLU  34          2HB       GLU  34  -4.930   2.729   5.360
  229   2HB   GLU  34          1HB       GLU  34  -6.236   2.255   6.448
  230   1HG   GLU  34          2HG       GLU  34  -5.689   0.681   3.934
  231   2HG   GLU  34          1HG       GLU  34  -4.761   0.380   5.403
  232    H    ALA  35           H        ALA  35  -9.235   3.794   4.016
  233    HA   ALA  35           HA       ALA  35  -9.497   5.341   6.534
  234   1HB   ALA  35          1HB       ALA  35  -9.082   6.439   3.774
  235   2HB   ALA  35          2HB       ALA  35  -8.460   7.032   5.313
  236   3HB   ALA  35          3HB       ALA  35 -10.144   7.319   4.874
  237    HA   PRO  36           HA       PRO  36 -13.712   4.208   5.891
  238   1HB   PRO  36          2HB       PRO  36 -14.959   6.111   7.415
  239   2HB   PRO  36          1HB       PRO  36 -14.071   4.741   8.113
  240   1HG   PRO  36          2HG       PRO  36 -13.224   7.573   7.780
  241   2HG   PRO  36          1HG       PRO  36 -12.913   6.450   9.112
  242   1HD   PRO  36          2HD       PRO  36 -11.077   7.061   7.185
  243   2HD   PRO  36          1HD       PRO  36 -11.095   5.526   8.079
  Start of MODEL   11
    1   1H    ASP   1          1H        ASP   1  13.022  10.761  -7.745
    2   2H    ASP   1          2H        ASP   1  14.498  11.573  -7.532
    3   3H    ASP   1          3H        ASP   1  13.032  12.370  -7.208
    4    HA   ASP   1           HA       ASP   1  14.146  10.064  -5.684
    5   1HB   ASP   1          2HB       ASP   1  15.008  12.591  -5.647
    6   2HB   ASP   1          1HB       ASP   1  13.593  12.808  -4.616
    7    H    GLY   2           H        GLY   2  12.371   8.810  -5.172
    8   1HA   GLY   2          2HA       GLY   2  10.299   9.738  -3.473
    9   2HA   GLY   2          1HA       GLY   2   9.664   9.728  -5.119
   10    H    GLU   3           H        GLU   3  10.211   7.823  -2.373
   11    HA   GLU   3           HA       GLU   3  10.046   5.279  -3.943
   12   1HB   GLU   3          2HB       GLU   3  10.894   4.247  -1.881
   13   2HB   GLU   3          1HB       GLU   3  11.924   5.597  -2.344
   14   1HG   GLU   3          2HG       GLU   3  10.054   6.834  -0.739
   15   2HG   GLU   3          1HG       GLU   3  10.233   5.264   0.042
   16    H    CYS   4           H        CYS   4   7.636   6.434  -4.043
   17    HA   CYS   4           HA       CYS   4   6.041   5.211  -1.814
   18   1HB   CYS   4          2HB       CYS   4   5.041   7.229  -1.672
   19   2HB   CYS   4          1HB       CYS   4   6.158   7.835  -2.886
   20    H    GLY   5           H        GLY   5   4.046   4.144  -2.453
   21   1HA   GLY   5          2HA       GLY   5   4.270   2.731  -5.001
   22   2HA   GLY   5          1HA       GLY   5   3.047   2.447  -3.762
   23    H    GLY   6           H        GLY   6   1.074   2.779  -4.681
   24   1HA   GLY   6          2HA       GLY   6   0.554   5.386  -5.991
   25   2HA   GLY   6          1HA       GLY   6   0.194   3.933  -6.924
   26    H    PHE   7           H        PHE   7  -2.070   4.011  -6.927
   27    HA   PHE   7           HA       PHE   7  -3.526   4.481  -4.390
   28   1HB   PHE   7          2HB       PHE   7  -3.961   4.946  -7.132
   29   2HB   PHE   7          1HB       PHE   7  -5.135   3.708  -6.681
   30    HD1  PHE   7           HD1      PHE   7  -6.872   4.154  -5.015
   31    HD2  PHE   7           HD2      PHE   7  -3.999   7.165  -6.089
   32    HE1  PHE   7           HE1      PHE   7  -8.257   5.878  -3.895
   33    HE2  PHE   7           HE2      PHE   7  -5.388   8.887  -4.969
   34    HZ   PHE   7           HZ       PHE   7  -7.516   8.244  -3.872
   35    H    TRP   8           H        TRP   8  -2.838   1.832  -6.636
   36    HA   TRP   8           HA       TRP   8  -3.825  -0.100  -4.597
   37   1HB   TRP   8          2HB       TRP   8  -5.495   0.711  -6.537
   38   2HB   TRP   8          1HB       TRP   8  -4.625  -0.517  -7.454
   39    HD1  TRP   8           HD1      TRP   8  -4.445  -2.993  -6.077
   40    HE1  TRP   8           HE1      TRP   8  -6.337  -4.203  -4.812
   41    HE3  TRP   8           HE3      TRP   8  -7.625   0.925  -5.289
   42    HZ2  TRP   8           HZ2      TRP   8  -8.865  -3.589  -3.624
   43    HZ3  TRP   8           HZ3      TRP   8  -9.767   0.584  -4.089
   44    HH2  TRP   8           HH2      TRP   8 -10.390  -1.666  -3.256
   45    H    TRP   9           H        TRP   9  -1.277  -0.064  -4.691
   46    HA   TRP   9           HA       TRP   9  -0.170  -1.629  -6.969
   47   1HB   TRP   9          2HB       TRP   9   0.945  -0.102  -4.605
   48   2HB   TRP   9          1HB       TRP   9   1.976  -1.127  -5.602
   49    HD1  TRP   9           HD1      TRP   9  -0.896   0.796  -7.194
   50    HE1  TRP   9           HE1      TRP   9   0.060   2.624  -8.733
   51    HE3  TRP   9           HE3      TRP   9   4.063   0.459  -6.003
   52    HZ2  TRP   9           HZ2      TRP   9   2.573   3.797  -9.366
   53    HZ3  TRP   9           HZ3      TRP   9   5.714   1.952  -7.098
   54    HH2  TRP   9           HH2      TRP   9   4.975   3.616  -8.780
   55    H    LYS  10           H        LYS  10   1.186  -3.576  -6.441
   56    HA   LYS  10           HA       LYS  10  -0.156  -5.234  -4.393
   57   1HB   LYS  10          2HB       LYS  10   1.559  -5.596  -6.791
   58   2HB   LYS  10          1HB       LYS  10   1.713  -6.827  -5.539
   59   1HG   LYS  10          2HG       LYS  10  -0.241  -7.753  -6.146
   60   2HG   LYS  10          1HG       LYS  10  -1.073  -6.214  -5.925
   61   1HD   LYS  10          2HD       LYS  10   0.160  -5.687  -8.258
   62   2HD   LYS  10          1HD       LYS  10   0.021  -7.437  -8.412
   63   1HE   LYS  10          2HE       LYS  10  -1.999  -6.582  -9.362
   64   2HE   LYS  10          1HE       LYS  10  -2.465  -7.102  -7.730
   65   1HZ   LYS  10          1HZ       LYS  10  -1.474  -4.363  -8.283
   66   2HZ   LYS  10          2HZ       LYS  10  -2.317  -4.922  -6.917
   67   3HZ   LYS  10          3HZ       LYS  10  -3.120  -4.754  -8.405
   68    H    CYS  11           H        CYS  11   0.777  -5.880  -2.490
   69    HA   CYS  11           HA       CYS  11   3.694  -5.623  -2.103
   70   1HB   CYS  11          2HB       CYS  11   3.413  -4.137  -0.172
   71   2HB   CYS  11          1HB       CYS  11   2.657  -3.405  -1.586
   72    H    GLY  12           H        GLY  12   4.416  -6.795  -0.167
   73   1HA   GLY  12          2HA       GLY  12   2.644  -9.050   0.499
   74   2HA   GLY  12          1HA       GLY  12   4.328  -8.871   0.994
   75    H    ARG  13           H        ARG  13   4.573  -8.546   3.145
   76    HA   ARG  13           HA       ARG  13   2.280  -7.588   4.771
   77   1HB   ARG  13          2HB       ARG  13   4.672  -9.232   5.072
   78   2HB   ARG  13          1HB       ARG  13   4.547  -8.053   6.377
   79   1HG   ARG  13          2HG       ARG  13   2.186  -9.740   5.542
   80   2HG   ARG  13          1HG       ARG  13   3.360 -10.314   6.725
   81   1HD   ARG  13          2HD       ARG  13   2.315  -7.563   7.180
   82   2HD   ARG  13          1HD       ARG  13   1.170  -8.892   7.440
   83    HE   ARG  13           HE       ARG  13   3.885  -9.086   8.654
   84   1HH1  ARG  13          1HH2      ARG  13   1.806 -11.087   9.345
   85   2HH1  ARG  13          2HH2      ARG  13   1.166 -10.474  10.833
   86   1HH2  ARG  13          1HH1      ARG  13   2.486  -7.290  10.398
   87   2HH2  ARG  13          2HH1      ARG  13   1.551  -8.320  11.431
   88    H    GLY  14           H        GLY  14   3.663  -5.670   2.966
   89   1HA   GLY  14          2HA       GLY  14   3.918  -3.298   3.394
   90   2HA   GLY  14          1HA       GLY  14   4.475  -3.682   5.023
   91    H    LYS  15           H        LYS  15   5.581  -5.157   1.971
   92    HA   LYS  15           HA       LYS  15   8.369  -4.755   2.724
   93   1HB   LYS  15          2HB       LYS  15   6.775  -6.225   0.764
   94   2HB   LYS  15          1HB       LYS  15   8.266  -5.588   0.070
   95   1HG   LYS  15          2HG       LYS  15   9.552  -6.603   1.932
   96   2HG   LYS  15          1HG       LYS  15   8.057  -7.275   2.581
   97   1HD   LYS  15          2HD       LYS  15   8.453  -9.079   1.281
   98   2HD   LYS  15          1HD       LYS  15   8.021  -8.058  -0.091
   99   1HE   LYS  15          2HE       LYS  15  10.437  -7.317  -0.210
  100   2HE   LYS  15          1HE       LYS  15  10.808  -8.549   1.013
  101   1HZ   LYS  15          1HZ       LYS  15   9.461  -9.040  -1.594
  102   2HZ   LYS  15          2HZ       LYS  15   9.770 -10.218  -0.409
  103   3HZ   LYS  15          3HZ       LYS  15  11.060  -9.460  -1.213
  104    HA   PRO  16           HA       PRO  16   8.449  -1.754  -0.975
  105   1HB   PRO  16          2HB       PRO  16   6.118  -1.209  -2.302
  106   2HB   PRO  16          1HB       PRO  16   7.186  -2.558  -2.737
  107   1HG   PRO  16          2HG       PRO  16   4.642  -2.576  -1.210
  108   2HG   PRO  16          1HG       PRO  16   5.284  -3.766  -2.350
  109   1HD   PRO  16          2HD       PRO  16   5.353  -4.042   0.384
  110   2HD   PRO  16          1HD       PRO  16   6.463  -4.860  -0.736
  111    HA   PRO  17           HA       PRO  17   7.026   1.490   1.713
  112   1HB   PRO  17          2HB       PRO  17   8.321   3.572   0.496
  113   2HB   PRO  17          1HB       PRO  17   9.148   2.390   1.529
  114   1HG   PRO  17          2HG       PRO  17   9.042   2.563  -1.438
  115   2HG   PRO  17          1HG       PRO  17  10.384   2.103  -0.380
  116   1HD   PRO  17          2HD       PRO  17   8.848   0.309  -1.759
  117   2HD   PRO  17          1HD       PRO  17   9.702  -0.074  -0.248
  118    H    CYS  18           H        CYS  18   4.908   2.146   1.497
  119    HA   CYS  18           HA       CYS  18   3.806   2.934  -1.118
  120   1HB   CYS  18          2HB       CYS  18   2.673   2.737   1.690
  121   2HB   CYS  18          1HB       CYS  18   1.709   3.125   0.268
  122    H    CYS  19           H        CYS  19   2.216   5.002  -0.860
  123    HA   CYS  19           HA       CYS  19   4.002   7.275  -0.224
  124   1HB   CYS  19          2HB       CYS  19   1.172   7.548  -1.186
  125   2HB   CYS  19          1HB       CYS  19   2.589   8.490  -1.632
  126    H    LYS  20           H        LYS  20   3.047   9.166   1.009
  127    HA   LYS  20           HA       LYS  20   2.229   8.466   3.618
  128   1HB   LYS  20          2HB       LYS  20   3.293  10.611   2.716
  129   2HB   LYS  20          1HB       LYS  20   1.672  11.091   2.214
  130   1HG   LYS  20          2HG       LYS  20   1.011  11.535   4.347
  131   2HG   LYS  20          1HG       LYS  20   1.853  10.131   5.001
  132   1HD   LYS  20          2HD       LYS  20   3.513  11.463   5.724
  133   2HD   LYS  20          1HD       LYS  20   3.830  11.964   4.064
  134   1HE   LYS  20          2HE       LYS  20   3.326  14.012   5.127
  135   2HE   LYS  20          1HE       LYS  20   1.758  13.554   4.436
  136   1HZ   LYS  20          1HZ       LYS  20   1.152  12.510   6.506
  137   2HZ   LYS  20          2HZ       LYS  20   1.605  14.118   6.815
  138   3HZ   LYS  20          3HZ       LYS  20   2.673  12.848   7.177
  139    H    GLY  21           H        GLY  21   0.260   7.778   4.352
  140   1HA   GLY  21          2HA       GLY  21  -2.142   8.080   4.614
  141   2HA   GLY  21          1HA       GLY  21  -2.205   8.733   2.978
  142    H    TYR  22           H        TYR  22  -0.381   6.505   2.031
  143    HA   TYR  22           HA       TYR  22  -2.521   4.511   1.568
  144   1HB   TYR  22          2HB       TYR  22   0.269   4.935   0.438
  145   2HB   TYR  22          1HB       TYR  22  -0.842   3.685  -0.115
  146    HD1  TYR  22           HD1      TYR  22  -0.386   7.365   0.204
  147    HD2  TYR  22           HD2      TYR  22  -2.633   4.188  -1.612
  148    HE1  TYR  22           HE1      TYR  22  -1.471   8.999  -1.312
  149    HE2  TYR  22           HE2      TYR  22  -3.718   5.823  -3.128
  150    HH   TYR  22           HH       TYR  22  -3.146   9.306  -2.805
  151    H    ALA  23           H        ALA  23  -2.502   2.506   2.519
  152    HA   ALA  23           HA       ALA  23  -0.064   1.698   4.073
  153   1HB   ALA  23          1HB       ALA  23  -2.442   0.443   5.039
  154   2HB   ALA  23          2HB       ALA  23  -2.801   2.155   4.818
  155   3HB   ALA  23          3HB       ALA  23  -1.459   1.662   5.851
  156    H    CYS  24           H        CYS  24   0.570  -0.486   3.872
  157    HA   CYS  24           HA       CYS  24  -0.507  -1.924   1.522
  158   1HB   CYS  24          2HB       CYS  24   1.874  -1.780   1.721
  159   2HB   CYS  24          1HB       CYS  24   1.831  -2.268   3.414
  160    H    SER  25           H        SER  25  -1.087  -4.228   1.708
  161    HA   SER  25           HA       SER  25  -1.946  -5.102   4.423
  162   1HB   SER  25          2HB       SER  25  -3.602  -4.439   2.033
  163   2HB   SER  25          1HB       SER  25  -4.120  -5.789   3.039
  164    HG   SER  25           HG       SER  25  -4.011  -3.070   3.584
  165    H    LYS  26           H        LYS  26  -1.230  -7.155   4.724
  166    HA   LYS  26           HA       LYS  26  -0.269  -8.817   2.535
  167   1HB   LYS  26          2HB       LYS  26   0.728  -8.839   4.771
  168   2HB   LYS  26          1HB       LYS  26  -0.813  -9.314   5.484
  169   1HG   LYS  26          2HG       LYS  26  -0.208 -11.176   3.400
  170   2HG   LYS  26          1HG       LYS  26   1.232 -11.002   4.402
  171   1HD   LYS  26          2HD       LYS  26   0.161 -12.566   5.689
  172   2HD   LYS  26          1HD       LYS  26  -0.637 -11.136   6.346
  173   1HE   LYS  26          2HE       LYS  26  -2.636 -11.597   5.286
  174   2HE   LYS  26          1HE       LYS  26  -1.839 -12.343   3.888
  175   1HZ   LYS  26          1HZ       LYS  26  -1.226 -14.223   5.263
  176   2HZ   LYS  26          2HZ       LYS  26  -2.910 -14.006   5.308
  177   3HZ   LYS  26          3HZ       LYS  26  -1.954 -13.512   6.621
  178    H    THR  27           H        THR  27  -3.129  -8.810   4.655
  179    HA   THR  27           HA       THR  27  -4.363 -11.216   3.714
  180    HB   THR  27           HB       THR  27  -5.587  -8.637   4.768
  181    HG1  THR  27           HG1      THR  27  -4.485  -9.224   6.455
  182   1HG2  THR  27          1HG2      THR  27  -7.352 -10.252   5.612
  183   2HG2  THR  27          2HG2      THR  27  -6.617 -11.477   4.578
  184   3HG2  THR  27          3HG2      THR  27  -7.322 -10.029   3.862
  185    H    TRP  28           H        TRP  28  -4.567  -7.844   2.607
  186    HA   TRP  28           HA       TRP  28  -6.489  -8.442   0.470
  187   1HB   TRP  28          2HB       TRP  28  -4.715  -6.027   0.984
  188   2HB   TRP  28          1HB       TRP  28  -6.113  -6.068  -0.078
  189    HD1  TRP  28           HD1      TRP  28  -7.242  -8.074   2.654
  190    HE1  TRP  28           HE1      TRP  28  -8.516  -6.700   4.423
  191    HE3  TRP  28           HE3      TRP  28  -5.840  -3.357   1.288
  192    HZ2  TRP  28           HZ2      TRP  28  -8.899  -3.964   5.155
  193    HZ3  TRP  28           HZ3      TRP  28  -6.675  -1.388   2.536
  194    HH2  TRP  28           HH2      TRP  28  -8.201  -1.686   4.467
  195    H    GLY  29           H        GLY  29  -2.997  -7.874   0.772
  196   1HA   GLY  29          2HA       GLY  29  -1.318  -8.827  -0.633
  197   2HA   GLY  29          1HA       GLY  29  -2.556  -9.198  -1.831
  198    H    TRP  30           H        TRP  30  -2.741  -5.975  -0.578
  199    HA   TRP  30           HA       TRP  30  -0.953  -4.877  -2.669
  200   1HB   TRP  30          2HB       TRP  30  -2.691  -3.859  -3.939
  201   2HB   TRP  30          1HB       TRP  30  -3.249  -5.502  -3.647
  202    HD1  TRP  30           HD1      TRP  30  -3.661  -1.976  -2.098
  203    HE1  TRP  30           HE1      TRP  30  -6.036  -1.802  -1.129
  204    HE3  TRP  30           HE3      TRP  30  -5.337  -6.711  -3.014
  205    HZ2  TRP  30           HZ2      TRP  30  -8.352  -3.444  -0.792
  206    HZ3  TRP  30           HZ3      TRP  30  -7.634  -7.375  -2.365
  207    HH2  TRP  30           HH2      TRP  30  -9.141  -5.750  -1.256
  208    H    CYS  31           H        CYS  31  -1.248  -2.342  -2.646
  209    HA   CYS  31           HA       CYS  31  -1.611  -1.437   0.190
  210   1HB   CYS  31          2HB       CYS  31   0.773  -1.647  -0.617
  211   2HB   CYS  31          1HB       CYS  31   0.406  -0.439  -1.850
  212    H    ALA  32           H        ALA  32  -3.128   0.135   0.366
  213    HA   ALA  32           HA       ALA  32  -3.525   2.083  -1.857
  214   1HB   ALA  32          1HB       ALA  32  -5.726   0.429  -0.570
  215   2HB   ALA  32          2HB       ALA  32  -5.050   0.125  -2.170
  216   3HB   ALA  32          3HB       ALA  32  -5.936   1.617  -1.857
  217    H    VAL  33           H        VAL  33  -5.419   3.687  -0.952
  218    HA   VAL  33           HA       VAL  33  -4.363   5.040   1.328
  219    HB   VAL  33           HB       VAL  33  -7.117   5.082   0.043
  220   1HG1  VAL  33          1HG1      VAL  33  -7.361   6.126   2.176
  221   2HG1  VAL  33          2HG1      VAL  33  -7.120   7.448   1.035
  222   3HG1  VAL  33          3HG1      VAL  33  -5.786   6.909   2.054
  223   1HG2  VAL  33          1HG2      VAL  33  -6.095   7.234  -0.945
  224   2HG2  VAL  33          2HG2      VAL  33  -5.501   5.703  -1.589
  225   3HG2  VAL  33          3HG2      VAL  33  -4.539   6.597  -0.411
  226    H    GLU  34           H        GLU  34  -5.320   5.261   3.482
  227    HA   GLU  34           HA       GLU  34  -5.977   2.798   4.770
  228   1HB   GLU  34          2HB       GLU  34  -6.287   5.713   5.546
  229   2HB   GLU  34          1HB       GLU  34  -6.531   4.383   6.677
  230   1HG   GLU  34          2HG       GLU  34  -4.287   3.825   6.724
  231   2HG   GLU  34          1HG       GLU  34  -3.995   4.419   5.090
  232    H    ALA  35           H        ALA  35  -8.212   5.513   5.186
  233    HA   ALA  35           HA       ALA  35 -10.444   4.303   3.771
  234   1HB   ALA  35          1HB       ALA  35 -10.360   2.684   5.534
  235   2HB   ALA  35          2HB       ALA  35 -11.671   3.781   5.966
  236   3HB   ALA  35          3HB       ALA  35 -10.101   3.927   6.757
  237    HA   PRO  36           HA       PRO  36 -11.597   8.548   4.393
  238   1HB   PRO  36          2HB       PRO  36 -14.069   8.436   3.220
  239   2HB   PRO  36          1HB       PRO  36 -12.556   8.462   2.291
  240   1HG   PRO  36          2HG       PRO  36 -14.324   6.169   2.961
  241   2HG   PRO  36          1HG       PRO  36 -13.420   6.504   1.477
  242   1HD   PRO  36          2HD       PRO  36 -12.610   4.715   3.380
  243   2HD   PRO  36          1HD       PRO  36 -11.503   5.557   2.276
  Start of MODEL   12
    1   1H    ASP   1          1H        ASP   1  15.616   9.372  -3.936
    2   2H    ASP   1          2H        ASP   1  14.423   9.302  -5.146
    3   3H    ASP   1          3H        ASP   1  14.191   8.493  -3.670
    4    HA   ASP   1           HA       ASP   1  14.202  10.667  -2.508
    5   1HB   ASP   1          2HB       ASP   1  15.595  11.635  -4.416
    6   2HB   ASP   1          1HB       ASP   1  14.100  11.730  -5.346
    7    H    GLY   2           H        GLY   2  12.191   9.709  -1.897
    8   1HA   GLY   2          2HA       GLY   2   9.805  10.204  -1.866
    9   2HA   GLY   2          1HA       GLY   2   9.884  10.528  -3.599
   10    H    GLU   3           H        GLU   3  10.406   7.850  -1.283
   11    HA   GLU   3           HA       GLU   3   9.866   5.838  -3.374
   12   1HB   GLU   3          2HB       GLU   3  10.942   6.008  -0.638
   13   2HB   GLU   3          1HB       GLU   3   9.957   4.572  -0.912
   14   1HG   GLU   3          2HG       GLU   3  11.307   3.916  -2.804
   15   2HG   GLU   3          1HG       GLU   3  12.193   5.442  -2.761
   16    H    CYS   4           H        CYS   4   7.661   6.055  -3.950
   17    HA   CYS   4           HA       CYS   4   5.708   5.305  -1.814
   18   1HB   CYS   4          2HB       CYS   4   5.080   7.483  -1.821
   19   2HB   CYS   4          1HB       CYS   4   6.005   7.825  -3.279
   20    H    GLY   5           H        GLY   5   3.711   4.387  -2.710
   21   1HA   GLY   5          2HA       GLY   5   4.196   2.978  -5.269
   22   2HA   GLY   5          1HA       GLY   5   2.972   2.548  -4.072
   23    H    GLY   6           H        GLY   6   0.953   2.929  -4.824
   24   1HA   GLY   6          2HA       GLY   6   0.339   5.531  -6.078
   25   2HA   GLY   6          1HA       GLY   6   0.035   4.107  -7.070
   26    H    PHE   7           H        PHE   7  -2.258   4.440  -7.058
   27    HA   PHE   7           HA       PHE   7  -3.730   4.621  -4.526
   28   1HB   PHE   7          2HB       PHE   7  -4.529   5.772  -6.507
   29   2HB   PHE   7          1HB       PHE   7  -4.519   4.273  -7.434
   30    HD1  PHE   7           HD1      PHE   7  -5.817   5.293  -4.053
   31    HD2  PHE   7           HD2      PHE   7  -6.662   3.463  -7.849
   32    HE1  PHE   7           HE1      PHE   7  -8.129   4.800  -3.302
   33    HE2  PHE   7           HE2      PHE   7  -8.973   2.973  -7.097
   34    HZ   PHE   7           HZ       PHE   7  -9.707   3.639  -4.824
   35    H    TRP   8           H        TRP   8  -3.241   2.120  -7.027
   36    HA   TRP   8           HA       TRP   8  -4.094   0.080  -5.011
   37   1HB   TRP   8          2HB       TRP   8  -5.886   0.813  -6.715
   38   2HB   TRP   8          1HB       TRP   8  -4.894   0.007  -7.930
   39    HD1  TRP   8           HD1      TRP   8  -6.457  -0.843  -4.483
   40    HE1  TRP   8           HE1      TRP   8  -7.196  -3.313  -4.530
   41    HE3  TRP   8           HE3      TRP   8  -4.869  -2.152  -9.159
   42    HZ2  TRP   8           HZ2      TRP   8  -7.124  -5.547  -6.314
   43    HZ3  TRP   8           HZ3      TRP   8  -5.218  -4.454 -10.006
   44    HH2  TRP   8           HH2      TRP   8  -6.342  -6.152  -8.591
   45    H    TRP   9           H        TRP   9  -1.644  -0.015  -4.941
   46    HA   TRP   9           HA       TRP   9  -0.420  -1.425  -7.278
   47   1HB   TRP   9          2HB       TRP   9   0.590   0.082  -4.854
   48   2HB   TRP   9          1HB       TRP   9   1.675  -0.904  -5.831
   49    HD1  TRP   9           HD1      TRP   9  -1.199   1.125  -7.356
   50    HE1  TRP   9           HE1      TRP   9  -0.201   2.948  -8.871
   51    HE3  TRP   9           HE3      TRP   9   3.764   0.530  -6.306
   52    HZ2  TRP   9           HZ2      TRP   9   2.349   4.025  -9.537
   53    HZ3  TRP   9           HZ3      TRP   9   5.453   1.974  -7.399
   54    HH2  TRP   9           HH2      TRP   9   4.754   3.715  -9.017
   55    H    LYS  10           H        LYS  10   1.248  -3.187  -6.495
   56    HA   LYS  10           HA       LYS  10  -0.236  -5.065  -4.749
   57   1HB   LYS  10          2HB       LYS  10   1.915  -5.142  -6.796
   58   2HB   LYS  10          1HB       LYS  10   2.013  -6.370  -5.533
   59   1HG   LYS  10          2HG       LYS  10   0.372  -7.544  -6.520
   60   2HG   LYS  10          1HG       LYS  10  -0.718  -6.166  -6.370
   61   1HD   LYS  10          2HD       LYS  10   1.337  -6.212  -8.564
   62   2HD   LYS  10          1HD       LYS  10  -0.171  -7.103  -8.757
   63   1HE   LYS  10          2HE       LYS  10  -0.930  -4.572  -7.752
   64   2HE   LYS  10          1HE       LYS  10   0.280  -4.252  -9.010
   65   1HZ   LYS  10          1HZ       LYS  10  -0.904  -5.766 -10.484
   66   2HZ   LYS  10          2HZ       LYS  10  -1.925  -4.507  -9.980
   67   3HZ   LYS  10          3HZ       LYS  10  -2.073  -6.051  -9.289
   68    H    CYS  11           H        CYS  11   0.469  -5.700  -2.726
   69    HA   CYS  11           HA       CYS  11   3.176  -4.943  -1.814
   70   1HB   CYS  11          2HB       CYS  11   1.805  -2.967  -1.401
   71   2HB   CYS  11          1HB       CYS  11   0.575  -3.948  -0.608
   72    H    GLY  12           H        GLY  12   3.680  -5.972   0.286
   73   1HA   GLY  12          2HA       GLY  12   2.015  -8.411   0.761
   74   2HA   GLY  12          1HA       GLY  12   3.753  -8.326   1.056
   75    H    ARG  13           H        ARG  13   4.299  -8.051   3.162
   76    HA   ARG  13           HA       ARG  13   2.245  -7.139   5.101
   77   1HB   ARG  13          2HB       ARG  13   5.087  -8.182   5.394
   78   2HB   ARG  13          1HB       ARG  13   3.974  -7.899   6.732
   79   1HG   ARG  13          2HG       ARG  13   2.841  -9.565   4.584
   80   2HG   ARG  13          1HG       ARG  13   4.237 -10.286   5.384
   81   1HD   ARG  13          2HD       ARG  13   3.060  -9.649   7.605
   82   2HD   ARG  13          1HD       ARG  13   1.605  -9.449   6.608
   83    HE   ARG  13           HE       ARG  13   2.014 -11.817   5.805
   84   1HH1  ARG  13          1HH2      ARG  13   1.058 -12.002   8.591
   85   2HH1  ARG  13          2HH2      ARG  13   2.269 -12.975   9.357
   86   1HH2  ARG  13          1HH1      ARG  13   4.617 -12.497   6.840
   87   2HH2  ARG  13          2HH1      ARG  13   4.291 -13.255   8.362
   88    H    GLY  14           H        GLY  14   3.551  -5.220   3.151
   89   1HA   GLY  14          2HA       GLY  14   3.842  -2.850   3.607
   90   2HA   GLY  14          1HA       GLY  14   4.530  -3.269   5.175
   91    H    LYS  15           H        LYS  15   5.412  -4.828   2.105
   92    HA   LYS  15           HA       LYS  15   8.241  -4.313   2.606
   93   1HB   LYS  15          2HB       LYS  15   6.594  -6.039   1.016
   94   2HB   LYS  15          1HB       LYS  15   7.748  -5.239  -0.052
   95   1HG   LYS  15          2HG       LYS  15   9.363  -6.620   0.673
   96   2HG   LYS  15          1HG       LYS  15   9.161  -5.987   2.305
   97   1HD   LYS  15          2HD       LYS  15   8.316  -7.966   2.950
   98   2HD   LYS  15          1HD       LYS  15   6.980  -7.748   1.818
   99   1HE   LYS  15          2HE       LYS  15   7.806  -9.380   0.483
  100   2HE   LYS  15          1HE       LYS  15   9.366  -8.542   0.377
  101   1HZ   LYS  15          1HZ       LYS  15   9.551 -10.719   1.479
  102   2HZ   LYS  15          2HZ       LYS  15   8.480 -10.190   2.688
  103   3HZ   LYS  15          3HZ       LYS  15   9.996  -9.443   2.504
  104    HA   PRO  16           HA       PRO  16   7.908  -1.457  -1.189
  105   1HB   PRO  16          2HB       PRO  16   5.474  -1.101  -2.388
  106   2HB   PRO  16          1HB       PRO  16   6.591  -2.405  -2.839
  107   1HG   PRO  16          2HG       PRO  16   4.145  -2.504  -1.161
  108   2HG   PRO  16          1HG       PRO  16   4.791  -3.702  -2.292
  109   1HD   PRO  16          2HD       PRO  16   5.036  -3.854   0.446
  110   2HD   PRO  16          1HD       PRO  16   6.117  -4.661  -0.708
  111    HA   PRO  17           HA       PRO  17   6.444   1.704   1.606
  112   1HB   PRO  17          2HB       PRO  17   7.743   3.807   0.427
  113   2HB   PRO  17          1HB       PRO  17   8.557   2.628   1.474
  114   1HG   PRO  17          2HG       PRO  17   8.488   2.787  -1.500
  115   2HG   PRO  17          1HG       PRO  17   9.836   2.383  -0.424
  116   1HD   PRO  17          2HD       PRO  17   8.417   0.508  -1.780
  117   2HD   PRO  17          1HD       PRO  17   9.185   0.194  -0.208
  118    H    CYS  18           H        CYS  18   4.292   2.207   1.296
  119    HA   CYS  18           HA       CYS  18   3.261   3.085  -1.315
  120   1HB   CYS  18          2HB       CYS  18   2.026   2.751   1.443
  121   2HB   CYS  18          1HB       CYS  18   1.110   3.106  -0.020
  122    H    CYS  19           H        CYS  19   2.034   5.152  -1.505
  123    HA   CYS  19           HA       CYS  19   3.515   7.450  -0.668
  124   1HB   CYS  19          2HB       CYS  19   1.169   6.758  -2.216
  125   2HB   CYS  19          1HB       CYS  19   0.853   8.203  -1.258
  126    H    LYS  20           H        LYS  20   3.025   9.041   0.928
  127    HA   LYS  20           HA       LYS  20   2.135   8.200   3.459
  128   1HB   LYS  20          2HB       LYS  20   3.497  10.246   2.737
  129   2HB   LYS  20          1HB       LYS  20   1.954  11.018   2.370
  130   1HG   LYS  20          2HG       LYS  20   1.507  11.389   4.556
  131   2HG   LYS  20          1HG       LYS  20   1.970   9.749   5.008
  132   1HD   LYS  20          2HD       LYS  20   4.384  10.966   4.315
  133   2HD   LYS  20          1HD       LYS  20   3.511  12.220   5.195
  134   1HE   LYS  20          2HE       LYS  20   3.556   9.428   6.315
  135   2HE   LYS  20          1HE       LYS  20   4.966  10.478   6.543
  136   1HZ   LYS  20          1HZ       LYS  20   2.158  11.242   7.158
  137   2HZ   LYS  20          2HZ       LYS  20   3.540  12.197   7.419
  138   3HZ   LYS  20          3HZ       LYS  20   3.308  10.772   8.313
  139    H    GLY  21           H        GLY  21   0.096   7.700   4.150
  140   1HA   GLY  21          2HA       GLY  21  -2.222   8.520   4.523
  141   2HA   GLY  21          1HA       GLY  21  -2.220   9.084   2.853
  142    H    TYR  22           H        TYR  22  -0.793   6.559   1.984
  143    HA   TYR  22           HA       TYR  22  -3.220   4.901   1.641
  144   1HB   TYR  22          2HB       TYR  22  -0.383   4.644   0.575
  145   2HB   TYR  22          1HB       TYR  22  -1.775   3.728   0.010
  146    HD1  TYR  22           HD1      TYR  22  -0.292   5.146  -1.980
  147    HD2  TYR  22           HD2      TYR  22  -3.343   6.664   0.639
  148    HE1  TYR  22           HE1      TYR  22  -0.806   6.937  -3.612
  149    HE2  TYR  22           HE2      TYR  22  -3.850   8.455  -0.996
  150    HH   TYR  22           HH       TYR  22  -3.206   8.430  -4.006
  151    H    ALA  23           H        ALA  23  -3.099   2.542   2.052
  152    HA   ALA  23           HA       ALA  23  -1.116   1.777   4.167
  153   1HB   ALA  23          1HB       ALA  23  -3.345   2.434   5.083
  154   2HB   ALA  23          2HB       ALA  23  -2.977   0.736   5.381
  155   3HB   ALA  23          3HB       ALA  23  -4.094   1.184   4.090
  156    H    CYS  24           H        CYS  24  -0.409  -0.377   4.049
  157    HA   CYS  24           HA       CYS  24  -0.972  -1.801   1.515
  158   1HB   CYS  24          2HB       CYS  24   1.322  -1.534   2.236
  159   2HB   CYS  24          1HB       CYS  24   0.949  -2.188   3.830
  160    H    SER  25           H        SER  25  -1.448  -4.163   1.591
  161    HA   SER  25           HA       SER  25  -2.868  -5.044   4.067
  162   1HB   SER  25          2HB       SER  25  -3.899  -4.782   1.246
  163   2HB   SER  25          1HB       SER  25  -4.645  -5.903   2.382
  164    HG   SER  25           HG       SER  25  -4.730  -3.158   2.272
  165    H    LYS  26           H        LYS  26  -1.224  -6.624   4.478
  166    HA   LYS  26           HA       LYS  26  -0.119  -8.417   2.544
  167   1HB   LYS  26          2HB       LYS  26   0.416  -9.770   4.602
  168   2HB   LYS  26          1HB       LYS  26   0.876  -8.077   4.725
  169   1HG   LYS  26          2HG       LYS  26  -1.819  -8.311   5.645
  170   2HG   LYS  26          1HG       LYS  26  -0.869  -9.566   6.436
  171   1HD   LYS  26          2HD       LYS  26  -0.016  -8.015   7.821
  172   2HD   LYS  26          1HD       LYS  26   0.714  -7.202   6.435
  173   1HE   LYS  26          2HE       LYS  26  -0.834  -5.534   6.482
  174   2HE   LYS  26          1HE       LYS  26  -2.173  -6.678   6.682
  175   1HZ   LYS  26          1HZ       LYS  26  -1.908  -5.364   8.681
  176   2HZ   LYS  26          2HZ       LYS  26  -0.274  -5.813   8.801
  177   3HZ   LYS  26          3HZ       LYS  26  -1.496  -6.978   9.002
  178    H    THR  27           H        THR  27  -3.107  -8.536   4.412
  179    HA   THR  27           HA       THR  27  -3.768 -11.301   3.840
  180    HB   THR  27           HB       THR  27  -5.643  -9.011   4.499
  181    HG1  THR  27           HG1      THR  27  -4.518  -8.802   6.245
  182   1HG2  THR  27          1HG2      THR  27  -5.755 -11.828   5.550
  183   2HG2  THR  27          2HG2      THR  27  -6.413 -11.443   3.959
  184   3HG2  THR  27          3HG2      THR  27  -7.057 -10.648   5.395
  185    H    TRP  28           H        TRP  28  -4.571  -8.188   2.329
  186    HA   TRP  28           HA       TRP  28  -6.318  -9.425   0.312
  187   1HB   TRP  28          2HB       TRP  28  -5.152  -6.633   0.612
  188   2HB   TRP  28          1HB       TRP  28  -6.440  -7.078  -0.500
  189    HD1  TRP  28           HD1      TRP  28  -7.319  -9.114   2.246
  190    HE1  TRP  28           HE1      TRP  28  -8.954  -7.974   3.876
  191    HE3  TRP  28           HE3      TRP  28  -6.774  -4.243   0.794
  192    HZ2  TRP  28           HZ2      TRP  28  -9.914  -5.355   4.482
  193    HZ3  TRP  28           HZ3      TRP  28  -8.065  -2.450   1.917
  194    HH2  TRP  28           HH2      TRP  28  -9.632  -3.001   3.758
  195    H    GLY  29           H        GLY  29  -3.129  -7.796   0.329
  196   1HA   GLY  29          2HA       GLY  29  -1.282  -8.840  -0.948
  197   2HA   GLY  29          1HA       GLY  29  -2.463  -9.298  -2.169
  198    H    TRP  30           H        TRP  30  -2.901  -6.093  -0.903
  199    HA   TRP  30           HA       TRP  30  -1.162  -4.887  -2.972
  200   1HB   TRP  30          2HB       TRP  30  -2.955  -3.942  -4.235
  201   2HB   TRP  30          1HB       TRP  30  -3.381  -5.631  -3.995
  202    HD1  TRP  30           HD1      TRP  30  -4.079  -2.206  -2.335
  203    HE1  TRP  30           HE1      TRP  30  -6.481  -2.239  -1.419
  204    HE3  TRP  30           HE3      TRP  30  -5.388  -7.009  -3.473
  205    HZ2  TRP  30           HZ2      TRP  30  -8.679  -4.057  -1.203
  206    HZ3  TRP  30           HZ3      TRP  30  -7.645  -7.861  -2.907
  207    HH2  TRP  30           HH2      TRP  30  -9.289  -6.390  -1.774
  208    H    CYS  31           H        CYS  31  -1.663  -2.361  -2.955
  209    HA   CYS  31           HA       CYS  31  -2.044  -1.494  -0.105
  210   1HB   CYS  31          2HB       CYS  31   0.347  -1.650  -1.070
  211   2HB   CYS  31          1HB       CYS  31  -0.106  -0.288  -2.095
  212    H    ALA  32           H        ALA  32  -3.545   0.138   0.090
  213    HA   ALA  32           HA       ALA  32  -4.016   1.996  -2.185
  214   1HB   ALA  32          1HB       ALA  32  -6.107   0.188  -0.931
  215   2HB   ALA  32          2HB       ALA  32  -5.473   0.057  -2.572
  216   3HB   ALA  32          3HB       ALA  32  -6.449   1.452  -2.112
  217    H    VAL  33           H        VAL  33  -5.932   3.554  -1.422
  218    HA   VAL  33           HA       VAL  33  -5.031   4.865   1.003
  219    HB   VAL  33           HB       VAL  33  -7.565   5.250  -0.632
  220   1HG1  VAL  33          1HG1      VAL  33  -7.228   7.641   0.183
  221   2HG1  VAL  33          2HG1      VAL  33  -6.033   6.997   1.308
  222   3HG1  VAL  33          3HG1      VAL  33  -7.715   6.481   1.417
  223   1HG2  VAL  33          1HG2      VAL  33  -4.806   5.595  -1.360
  224   2HG2  VAL  33          2HG2      VAL  33  -5.557   7.185  -1.235
  225   3HG2  VAL  33          3HG2      VAL  33  -6.244   5.969  -2.310
  226    H    GLU  34           H        GLU  34  -5.702   4.449   3.074
  227    HA   GLU  34           HA       GLU  34  -7.874   2.495   3.533
  228   1HB   GLU  34          2HB       GLU  34  -7.001   2.526   5.827
  229   2HB   GLU  34          1HB       GLU  34  -5.672   2.372   4.680
  230   1HG   GLU  34          2HG       GLU  34  -4.724   4.228   5.519
  231   2HG   GLU  34          1HG       GLU  34  -6.156   5.163   5.088
  232    H    ALA  35           H        ALA  35  -7.479   5.942   3.565
  233    HA   ALA  35           HA       ALA  35  -8.942   7.688   4.154
  234   1HB   ALA  35          1HB       ALA  35 -10.796   7.105   3.006
  235   2HB   ALA  35          2HB       ALA  35 -11.382   6.278   4.448
  236   3HB   ALA  35          3HB       ALA  35 -10.447   5.393   3.245
  237    HA   PRO  36           HA       PRO  36  -8.757   6.432   8.596
  238   1HB   PRO  36          2HB       PRO  36  -7.426   8.678   9.427
  239   2HB   PRO  36          1HB       PRO  36  -6.598   7.235   8.807
  240   1HG   PRO  36          2HG       PRO  36  -7.223   9.798   7.425
  241   2HG   PRO  36          1HG       PRO  36  -5.771   8.789   7.332
  242   1HD   PRO  36          2HD       PRO  36  -7.709   8.797   5.420
  243   2HD   PRO  36          1HD       PRO  36  -6.687   7.384   5.770
  Start of MODEL   13
    1   1H    ASP   1          1H        ASP   1  15.605  11.169  -3.914
    2   2H    ASP   1          2H        ASP   1  15.971  11.867  -2.411
    3   3H    ASP   1          3H        ASP   1  14.541  12.293  -3.223
    4    HA   ASP   1           HA       ASP   1  15.152   9.580  -2.156
    5   1HB   ASP   1          2HB       ASP   1  13.759  10.194  -0.316
    6   2HB   ASP   1          1HB       ASP   1  14.833  11.570  -0.557
    7    H    GLY   2           H        GLY   2  13.093   8.267  -2.113
    8   1HA   GLY   2          2HA       GLY   2  10.778   9.034  -3.626
    9   2HA   GLY   2          1HA       GLY   2  11.858   8.083  -4.644
   10    H    GLU   3           H        GLU   3   9.581   7.968  -2.037
   11    HA   GLU   3           HA       GLU   3   9.795   4.984  -2.033
   12   1HB   GLU   3          2HB       GLU   3  10.464   6.850   0.070
   13   2HB   GLU   3          1HB       GLU   3   9.123   5.823   0.586
   14   1HG   GLU   3          2HG       GLU   3  10.351   3.835   0.195
   15   2HG   GLU   3          1HG       GLU   3  11.580   4.685  -0.741
   16    H    CYS   4           H        CYS   4   7.902   5.509  -3.520
   17    HA   CYS   4           HA       CYS   4   5.389   5.402  -1.948
   18   1HB   CYS   4          2HB       CYS   4   5.306   7.683  -2.255
   19   2HB   CYS   4          1HB       CYS   4   6.319   7.631  -3.693
   20    H    GLY   5           H        GLY   5   3.605   4.576  -3.208
   21   1HA   GLY   5          2HA       GLY   5   4.447   3.165  -5.700
   22   2HA   GLY   5          1HA       GLY   5   3.245   2.533  -4.572
   23    H    GLY   6           H        GLY   6   1.131   3.060  -4.923
   24   1HA   GLY   6          2HA       GLY   6   0.417   5.509  -6.396
   25   2HA   GLY   6          1HA       GLY   6  -0.007   3.995  -7.190
   26    H    PHE   7           H        PHE   7  -2.280   4.760  -6.915
   27    HA   PHE   7           HA       PHE   7  -3.380   4.901  -4.192
   28   1HB   PHE   7          2HB       PHE   7  -5.427   5.456  -5.335
   29   2HB   PHE   7          1HB       PHE   7  -4.124   6.253  -6.208
   30    HD1  PHE   7           HD1      PHE   7  -3.440   5.497  -8.432
   31    HD2  PHE   7           HD2      PHE   7  -6.591   3.514  -6.287
   32    HE1  PHE   7           HE1      PHE   7  -4.126   4.335 -10.512
   33    HE2  PHE   7           HE2      PHE   7  -7.273   2.350  -8.367
   34    HZ   PHE   7           HZ       PHE   7  -6.042   2.761 -10.479
   35    H    TRP   8           H        TRP   8  -2.881   2.396  -6.564
   36    HA   TRP   8           HA       TRP   8  -4.086   0.417  -4.728
   37   1HB   TRP   8          2HB       TRP   8  -5.931   1.302  -6.171
   38   2HB   TRP   8          1HB       TRP   8  -5.032   0.779  -7.593
   39    HD1  TRP   8           HD1      TRP   8  -5.860  -1.014  -4.249
   40    HE1  TRP   8           HE1      TRP   8  -6.839  -3.331  -4.816
   41    HE3  TRP   8           HE3      TRP   8  -5.832  -0.759  -9.348
   42    HZ2  TRP   8           HZ2      TRP   8  -7.522  -4.872  -7.129
   43    HZ3  TRP   8           HZ3      TRP   8  -6.652  -2.662 -10.707
   44    HH2  TRP   8           HH2      TRP   8  -7.496  -4.715  -9.606
   45    H    TRP   9           H        TRP   9  -1.614   0.124  -4.822
   46    HA   TRP   9           HA       TRP   9  -0.711  -1.353  -7.265
   47   1HB   TRP   9          2HB       TRP   9   0.624   0.085  -4.963
   48   2HB   TRP   9          1HB       TRP   9   1.542  -1.004  -6.000
   49    HD1  TRP   9           HD1      TRP   9  -1.264   1.101  -7.490
   50    HE1  TRP   9           HE1      TRP   9  -0.241   2.865  -9.057
   51    HE3  TRP   9           HE3      TRP   9   3.697   0.427  -6.469
   52    HZ2  TRP   9           HZ2      TRP   9   2.321   3.871  -9.770
   53    HZ3  TRP   9           HZ3      TRP   9   5.406   1.809  -7.615
   54    HH2  TRP   9           HH2      TRP   9   4.726   3.525  -9.269
   55    H    LYS  10           H        LYS  10   0.769  -3.288  -6.737
   56    HA   LYS  10           HA       LYS  10  -0.597  -5.012  -4.747
   57   1HB   LYS  10          2HB       LYS  10   1.124  -5.299  -7.150
   58   2HB   LYS  10          1HB       LYS  10   1.305  -6.553  -5.925
   59   1HG   LYS  10          2HG       LYS  10  -0.751  -7.423  -6.332
   60   2HG   LYS  10          1HG       LYS  10  -1.494  -5.833  -6.501
   61   1HD   LYS  10          2HD       LYS  10  -0.712  -5.619  -8.769
   62   2HD   LYS  10          1HD       LYS  10   0.293  -7.060  -8.616
   63   1HE   LYS  10          2HE       LYS  10  -1.631  -7.843  -9.765
   64   2HE   LYS  10          1HE       LYS  10  -1.958  -8.286  -8.079
   65   1HZ   LYS  10          1HZ       LYS  10  -2.784  -5.698  -9.283
   66   2HZ   LYS  10          2HZ       LYS  10  -3.236  -6.323  -7.769
   67   3HZ   LYS  10          3HZ       LYS  10  -3.804  -7.049  -9.195
   68    H    CYS  11           H        CYS  11   0.355  -5.683  -2.842
   69    HA   CYS  11           HA       CYS  11   3.272  -5.376  -2.477
   70   1HB   CYS  11          2HB       CYS  11   2.965  -3.953  -0.491
   71   2HB   CYS  11          1HB       CYS  11   2.231  -3.188  -1.898
   72    H    GLY  12           H        GLY  12   4.042  -6.551  -0.567
   73   1HA   GLY  12          2HA       GLY  12   2.282  -8.825   0.122
   74   2HA   GLY  12          1HA       GLY  12   4.002  -8.694   0.500
   75    H    ARG  13           H        ARG  13   4.414  -8.393   2.632
   76    HA   ARG  13           HA       ARG  13   2.252  -7.449   4.431
   77   1HB   ARG  13          2HB       ARG  13   3.903  -9.461   4.712
   78   2HB   ARG  13          1HB       ARG  13   5.067  -8.230   5.200
   79   1HG   ARG  13          2HG       ARG  13   4.181  -8.328   7.270
   80   2HG   ARG  13          1HG       ARG  13   2.715  -7.605   6.607
   81   1HD   ARG  13          2HD       ARG  13   1.644  -9.685   6.362
   82   2HD   ARG  13          1HD       ARG  13   3.175 -10.581   6.378
   83    HE   ARG  13           HE       ARG  13   2.217  -9.115   8.808
   84   1HH1  ARG  13          1HH2      ARG  13   4.877 -10.716   8.405
   85   2HH1  ARG  13          2HH2      ARG  13   4.499 -12.145   9.307
   86   1HH2  ARG  13          1HH1      ARG  13   1.093 -11.472   9.453
   87   2HH2  ARG  13          2HH1      ARG  13   2.351 -12.574   9.901
   88    H    GLY  14           H        GLY  14   3.000  -5.357   2.799
   89   1HA   GLY  14          2HA       GLY  14   3.497  -3.066   3.094
   90   2HA   GLY  14          1HA       GLY  14   4.097  -3.436   4.711
   91    H    LYS  15           H        LYS  15   5.152  -4.960   1.674
   92    HA   LYS  15           HA       LYS  15   7.948  -4.490   2.350
   93   1HB   LYS  15          2HB       LYS  15   6.336  -6.049   0.483
   94   2HB   LYS  15          1HB       LYS  15   7.787  -5.400  -0.281
   95   1HG   LYS  15          2HG       LYS  15   8.263  -6.489   2.411
   96   2HG   LYS  15          1HG       LYS  15   7.706  -7.693   1.248
   97   1HD   LYS  15          2HD       LYS  15   9.783  -7.775   0.394
   98   2HD   LYS  15          1HD       LYS  15   9.605  -6.097  -0.116
   99   1HE   LYS  15          2HE       LYS  15  10.358  -5.379   2.182
  100   2HE   LYS  15          1HE       LYS  15  10.703  -7.082   2.540
  101   1HZ   LYS  15          1HZ       LYS  15  12.096  -7.158   0.540
  102   2HZ   LYS  15          2HZ       LYS  15  12.673  -6.018   1.657
  103   3HZ   LYS  15          3HZ       LYS  15  11.822  -5.504   0.280
  104    HA   PRO  16           HA       PRO  16   7.917  -1.581  -1.417
  105   1HB   PRO  16          2HB       PRO  16   5.574  -1.144  -2.759
  106   2HB   PRO  16          1HB       PRO  16   6.677  -2.476  -3.154
  107   1HG   PRO  16          2HG       PRO  16   4.138  -2.517  -1.620
  108   2HG   PRO  16          1HG       PRO  16   4.806  -3.721  -2.731
  109   1HD   PRO  16          2HD       PRO  16   4.892  -3.921   0.011
  110   2HD   PRO  16          1HD       PRO  16   6.021  -4.737  -1.091
  111    HA   PRO  17           HA       PRO  17   6.322   1.627   1.238
  112   1HB   PRO  17          2HB       PRO  17   7.760   3.697   0.174
  113   2HB   PRO  17          1HB       PRO  17   8.464   2.490   1.268
  114   1HG   PRO  17          2HG       PRO  17   8.668   2.709  -1.686
  115   2HG   PRO  17          1HG       PRO  17   9.874   2.180  -0.504
  116   1HD   PRO  17          2HD       PRO  17   8.408   0.481  -2.084
  117   2HD   PRO  17          1HD       PRO  17   9.140   0.026  -0.531
  118    H    CYS  18           H        CYS  18   4.295   2.439   0.879
  119    HA   CYS  18           HA       CYS  18   3.433   3.233  -1.836
  120   1HB   CYS  18          2HB       CYS  18   2.265   2.334   0.691
  121   2HB   CYS  18          1HB       CYS  18   1.379   3.697   0.007
  122    H    CYS  19           H        CYS  19   2.074   5.347  -1.924
  123    HA   CYS  19           HA       CYS  19   3.725   7.591  -1.163
  124   1HB   CYS  19          2HB       CYS  19   1.336   6.999  -2.702
  125   2HB   CYS  19          1HB       CYS  19   1.116   8.480  -1.770
  126    H    LYS  20           H        LYS  20   3.318   9.194   0.443
  127    HA   LYS  20           HA       LYS  20   2.436   8.403   2.978
  128   1HB   LYS  20          2HB       LYS  20   3.833  10.392   2.328
  129   2HB   LYS  20          1HB       LYS  20   2.357  11.193   1.791
  130   1HG   LYS  20          2HG       LYS  20   2.147  11.942   3.912
  131   2HG   LYS  20          1HG       LYS  20   1.716  10.288   4.344
  132   1HD   LYS  20          2HD       LYS  20   3.510  10.426   5.738
  133   2HD   LYS  20          1HD       LYS  20   4.445  10.116   4.276
  134   1HE   LYS  20          2HE       LYS  20   5.045  12.371   4.020
  135   2HE   LYS  20          1HE       LYS  20   3.670  12.945   4.985
  136   1HZ   LYS  20          1HZ       LYS  20   5.895  11.290   6.059
  137   2HZ   LYS  20          2HZ       LYS  20   4.624  11.985   6.947
  138   3HZ   LYS  20          3HZ       LYS  20   5.798  12.976   6.223
  139    H    GLY  21           H        GLY  21   0.391   7.606   3.361
  140   1HA   GLY  21          2HA       GLY  21  -1.911   8.646   3.892
  141   2HA   GLY  21          1HA       GLY  21  -1.938   9.058   2.177
  142    H    TYR  22           H        TYR  22  -0.740   6.643   1.187
  143    HA   TYR  22           HA       TYR  22  -3.080   4.836   1.409
  144   1HB   TYR  22          2HB       TYR  22  -0.606   4.504  -0.306
  145   2HB   TYR  22          1HB       TYR  22  -2.222   3.877  -0.608
  146    HD1  TYR  22           HD1      TYR  22  -3.828   6.365   0.046
  147    HD2  TYR  22           HD2      TYR  22  -0.234   5.817  -2.242
  148    HE1  TYR  22           HE1      TYR  22  -4.354   8.400  -1.269
  149    HE2  TYR  22           HE2      TYR  22  -0.761   7.853  -3.556
  150    HH   TYR  22           HH       TYR  22  -3.200   9.115  -4.092
  151    H    ALA  23           H        ALA  23  -2.959   2.750   2.281
  152    HA   ALA  23           HA       ALA  23  -0.366   1.983   3.590
  153   1HB   ALA  23          1HB       ALA  23  -1.626   1.275   5.439
  154   2HB   ALA  23          2HB       ALA  23  -3.092   1.071   4.482
  155   3HB   ALA  23          3HB       ALA  23  -2.533   2.690   4.905
  156    H    CYS  24           H        CYS  24   0.193  -0.269   3.505
  157    HA   CYS  24           HA       CYS  24  -0.948  -1.720   1.193
  158   1HB   CYS  24          2HB       CYS  24   1.441  -1.614   1.361
  159   2HB   CYS  24          1HB       CYS  24   1.409  -2.094   3.056
  160    H    SER  25           H        SER  25  -1.565  -4.013   1.428
  161    HA   SER  25           HA       SER  25  -2.509  -4.756   4.166
  162   1HB   SER  25          2HB       SER  25  -4.019  -4.693   1.549
  163   2HB   SER  25          1HB       SER  25  -4.608  -5.549   2.971
  164    HG   SER  25           HG       SER  25  -4.993  -3.691   3.942
  165    H    LYS  26           H        LYS  26  -1.171  -6.524   4.535
  166    HA   LYS  26           HA       LYS  26  -0.300  -8.374   2.509
  167   1HB   LYS  26          2HB       LYS  26   0.742  -9.450   4.319
  168   2HB   LYS  26          1HB       LYS  26   0.584  -7.798   4.903
  169   1HG   LYS  26          2HG       LYS  26  -1.635  -9.731   5.480
  170   2HG   LYS  26          1HG       LYS  26  -0.150  -9.849   6.414
  171   1HD   LYS  26          2HD       LYS  26  -0.339  -7.428   6.971
  172   2HD   LYS  26          1HD       LYS  26  -1.884  -7.381   6.121
  173   1HE   LYS  26          2HE       LYS  26  -2.563  -7.749   8.343
  174   2HE   LYS  26          1HE       LYS  26  -2.487  -9.406   7.715
  175   1HZ   LYS  26          1HZ       LYS  26  -0.230  -8.002   9.051
  176   2HZ   LYS  26          2HZ       LYS  26  -0.249  -9.619   8.529
  177   3HZ   LYS  26          3HZ       LYS  26  -1.244  -9.128   9.814
  178    H    THR  27           H        THR  27  -3.120  -8.252   4.616
  179    HA   THR  27           HA       THR  27  -4.047 -10.951   4.239
  180    HB   THR  27           HB       THR  27  -5.596  -8.395   4.805
  181    HG1  THR  27           HG1      THR  27  -4.744  -8.474   6.716
  182   1HG2  THR  27          1HG2      THR  27  -7.299  -9.761   5.686
  183   2HG2  THR  27          2HG2      THR  27  -6.244 -11.171   5.788
  184   3HG2  THR  27          3HG2      THR  27  -6.816 -10.609   4.217
  185    H    TRP  28           H        TRP  28  -4.674  -7.912   2.503
  186    HA   TRP  28           HA       TRP  28  -6.513  -9.226   0.601
  187   1HB   TRP  28          2HB       TRP  28  -5.315  -6.434   0.667
  188   2HB   TRP  28          1HB       TRP  28  -6.696  -6.944  -0.293
  189    HD1  TRP  28           HD1      TRP  28  -7.618  -8.785   2.454
  190    HE1  TRP  28           HE1      TRP  28  -8.989  -7.491   4.206
  191    HE3  TRP  28           HE3      TRP  28  -6.511  -3.995   1.080
  192    HZ2  TRP  28           HZ2      TRP  28  -9.558  -4.783   4.924
  193    HZ3  TRP  28           HZ3      TRP  28  -7.483  -2.077   2.313
  194    HH2  TRP  28           HH2      TRP  28  -9.004  -2.467   4.233
  195    H    GLY  29           H        GLY  29  -3.320  -7.607   0.465
  196   1HA   GLY  29          2HA       GLY  29  -1.515  -8.742  -0.813
  197   2HA   GLY  29          1HA       GLY  29  -2.734  -9.192  -2.000
  198    H    TRP  30           H        TRP  30  -3.100  -5.965  -0.773
  199    HA   TRP  30           HA       TRP  30  -1.380  -4.799  -2.883
  200   1HB   TRP  30          2HB       TRP  30  -3.184  -3.855  -4.132
  201   2HB   TRP  30          1HB       TRP  30  -3.621  -5.539  -3.866
  202    HD1  TRP  30           HD1      TRP  30  -4.269  -2.083  -2.252
  203    HE1  TRP  30           HE1      TRP  30  -6.646  -2.092  -1.277
  204    HE3  TRP  30           HE3      TRP  30  -5.620  -6.903  -3.261
  205    HZ2  TRP  30           HZ2      TRP  30  -8.844  -3.896  -0.967
  206    HZ3  TRP  30           HZ3      TRP  30  -7.864  -7.737  -2.620
  207    HH2  TRP  30           HH2      TRP  30  -9.476  -6.239  -1.475
  208    H    CYS  31           H        CYS  31  -1.822  -2.276  -2.888
  209    HA   CYS  31           HA       CYS  31  -2.195  -1.354  -0.056
  210   1HB   CYS  31          2HB       CYS  31   0.151  -1.346  -0.538
  211   2HB   CYS  31          1HB       CYS  31  -0.112  -0.684  -2.150
  212    H    ALA  32           H        ALA  32  -3.666   0.279   0.139
  213    HA   ALA  32           HA       ALA  32  -4.179   2.111  -2.152
  214   1HB   ALA  32          1HB       ALA  32  -5.713  -0.167  -1.646
  215   2HB   ALA  32          2HB       ALA  32  -6.213   1.217  -2.615
  216   3HB   ALA  32          3HB       ALA  32  -6.642   1.137  -0.909
  217    H    VAL  33           H        VAL  33  -6.232   3.583  -1.208
  218    HA   VAL  33           HA       VAL  33  -5.083   5.021   1.046
  219    HB   VAL  33           HB       VAL  33  -7.852   5.310  -0.163
  220   1HG1  VAL  33          1HG1      VAL  33  -5.938   7.357   0.995
  221   2HG1  VAL  33          2HG1      VAL  33  -7.259   6.617   1.900
  222   3HG1  VAL  33          3HG1      VAL  33  -7.608   7.633   0.502
  223   1HG2  VAL  33          1HG2      VAL  33  -6.839   5.739  -2.142
  224   2HG2  VAL  33          2HG2      VAL  33  -5.239   5.639  -1.412
  225   3HG2  VAL  33          3HG2      VAL  33  -6.128   7.160  -1.379
  226    H    GLU  34           H        GLU  34  -5.390   4.497   3.165
  227    HA   GLU  34           HA       GLU  34  -7.430   2.521   3.947
  228   1HB   GLU  34          2HB       GLU  34  -4.920   3.625   4.915
  229   2HB   GLU  34          1HB       GLU  34  -6.122   3.581   6.205
  230   1HG   GLU  34          2HG       GLU  34  -5.702   1.194   4.415
  231   2HG   GLU  34          1HG       GLU  34  -4.666   1.462   5.817
  232    H    ALA  35           H        ALA  35  -8.798   3.008   5.930
  233    HA   ALA  35           HA       ALA  35  -9.886   5.800   5.775
  234   1HB   ALA  35          1HB       ALA  35 -11.112   3.105   6.432
  235   2HB   ALA  35          2HB       ALA  35 -11.437   4.108   5.018
  236   3HB   ALA  35          3HB       ALA  35 -11.977   4.633   6.613
  237    HA   PRO  36           HA       PRO  36  -8.443   6.100   9.979
  238   1HB   PRO  36          2HB       PRO  36  -9.541   8.548  10.532
  239   2HB   PRO  36          1HB       PRO  36  -8.069   8.342   9.561
  240   1HG   PRO  36          2HG       PRO  36 -10.862   8.855   8.678
  241   2HG   PRO  36          1HG       PRO  36  -9.338   9.474   8.024
  242   1HD   PRO  36          2HD       PRO  36 -10.764   7.437   6.887
  243   2HD   PRO  36          1HD       PRO  36  -9.007   7.637   6.707
  Start of MODEL   14
    1   1H    ASP   1          1H        ASP   1  16.122   8.266  -1.910
    2   2H    ASP   1          2H        ASP   1  15.958   9.778  -1.155
    3   3H    ASP   1          3H        ASP   1  16.723   9.662  -2.667
    4    HA   ASP   1           HA       ASP   1  14.443  10.534  -2.864
    5   1HB   ASP   1          2HB       ASP   1  13.982   9.146  -4.766
    6   2HB   ASP   1          1HB       ASP   1  15.733   9.121  -4.568
    7    H    GLY   2           H        GLY   2  12.149  10.051  -2.691
    8   1HA   GLY   2          2HA       GLY   2  11.539   8.126  -0.499
    9   2HA   GLY   2          1HA       GLY   2  10.519   9.483  -0.973
   10    H    GLU   3           H        GLU   3  11.154   6.143  -1.454
   11    HA   GLU   3           HA       GLU   3   9.880   5.818  -4.043
   12   1HB   GLU   3          2HB       GLU   3  10.788   4.098  -1.758
   13   2HB   GLU   3          1HB       GLU   3   9.746   3.382  -2.988
   14   1HG   GLU   3          2HG       GLU   3  11.306   3.788  -4.716
   15   2HG   GLU   3          1HG       GLU   3  12.203   4.957  -3.749
   16    H    CYS   4           H        CYS   4   7.712   5.732  -4.483
   17    HA   CYS   4           HA       CYS   4   5.798   5.201  -2.242
   18   1HB   CYS   4          2HB       CYS   4   5.264   7.400  -2.354
   19   2HB   CYS   4          1HB       CYS   4   6.287   7.629  -3.766
   20    H    GLY   5           H        GLY   5   3.661   4.454  -3.060
   21   1HA   GLY   5          2HA       GLY   5   3.954   2.912  -5.577
   22   2HA   GLY   5          1HA       GLY   5   2.805   2.551  -4.288
   23    H    GLY   6           H        GLY   6   0.762   2.944  -4.954
   24   1HA   GLY   6          2HA       GLY   6   0.113   5.548  -6.188
   25   2HA   GLY   6          1HA       GLY   6  -0.285   4.117  -7.137
   26    H    PHE   7           H        PHE   7  -2.583   4.648  -6.928
   27    HA   PHE   7           HA       PHE   7  -3.821   4.799  -4.286
   28   1HB   PHE   7          2HB       PHE   7  -4.486   5.675  -6.742
   29   2HB   PHE   7          1HB       PHE   7  -5.396   4.163  -6.735
   30    HD1  PHE   7           HD1      PHE   7  -6.840   3.679  -4.611
   31    HD2  PHE   7           HD2      PHE   7  -5.377   7.574  -5.685
   32    HE1  PHE   7           HE1      PHE   7  -8.565   4.724  -3.170
   33    HE2  PHE   7           HE2      PHE   7  -7.105   8.618  -4.244
   34    HZ   PHE   7           HZ       PHE   7  -8.699   7.193  -2.987
   35    H    TRP   8           H        TRP   8  -3.420   2.267  -6.745
   36    HA   TRP   8           HA       TRP   8  -4.245   0.258  -4.702
   37   1HB   TRP   8          2HB       TRP   8  -6.225   0.851  -6.047
   38   2HB   TRP   8          1HB       TRP   8  -5.331   0.514  -7.529
   39    HD1  TRP   8           HD1      TRP   8  -6.167  -1.405  -4.256
   40    HE1  TRP   8           HE1      TRP   8  -6.704  -3.847  -4.885
   41    HE3  TRP   8           HE3      TRP   8  -5.437  -1.198  -9.308
   42    HZ2  TRP   8           HZ2      TRP   8  -6.812  -5.495  -7.223
   43    HZ3  TRP   8           HZ3      TRP   8  -5.766  -3.213 -10.709
   44    HH2  TRP   8           HH2      TRP   8  -6.451  -5.359  -9.674
   45    H    TRP   9           H        TRP   9  -1.823   0.028  -4.775
   46    HA   TRP   9           HA       TRP   9  -0.821  -1.399  -7.215
   47   1HB   TRP   9          2HB       TRP   9   0.442   0.108  -4.911
   48   2HB   TRP   9          1HB       TRP   9   1.407  -0.921  -5.967
   49    HD1  TRP   9           HD1      TRP   9  -1.524   1.120  -7.336
   50    HE1  TRP   9           HE1      TRP   9  -0.612   2.929  -8.919
   51    HE3  TRP   9           HE3      TRP   9   3.491   0.541  -6.549
   52    HZ2  TRP   9           HZ2      TRP   9   1.895   3.999  -9.737
   53    HZ3  TRP   9           HZ3      TRP   9   5.116   1.974  -7.752
   54    HH2  TRP   9           HH2      TRP   9   4.326   3.699  -9.347
   55    H    LYS  10           H        LYS  10   0.391  -3.435  -6.837
   56    HA   LYS  10           HA       LYS  10  -0.776  -4.985  -4.603
   57   1HB   LYS  10          2HB       LYS  10   0.588  -5.484  -7.195
   58   2HB   LYS  10          1HB       LYS  10   0.827  -6.708  -5.947
   59   1HG   LYS  10          2HG       LYS  10  -1.167  -7.546  -6.613
   60   2HG   LYS  10          1HG       LYS  10  -1.881  -6.178  -5.760
   61   1HD   LYS  10          2HD       LYS  10  -0.987  -5.306  -8.353
   62   2HD   LYS  10          1HD       LYS  10  -2.000  -6.736  -8.541
   63   1HE   LYS  10          2HE       LYS  10  -3.854  -5.503  -8.127
   64   2HE   LYS  10          1HE       LYS  10  -3.185  -4.986  -6.567
   65   1HZ   LYS  10          1HZ       LYS  10  -3.412  -3.044  -7.890
   66   2HZ   LYS  10          2HZ       LYS  10  -2.688  -3.781  -9.237
   67   3HZ   LYS  10          3HZ       LYS  10  -1.758  -3.409  -7.865
   68    H    CYS  11           H        CYS  11   0.324  -5.537  -2.779
   69    HA   CYS  11           HA       CYS  11   3.274  -5.591  -2.783
   70   1HB   CYS  11          2HB       CYS  11   3.444  -3.952  -0.996
   71   2HB   CYS  11          1HB       CYS  11   2.498  -3.238  -2.300
   72    H    GLY  12           H        GLY  12   4.073  -6.448  -0.590
   73   1HA   GLY  12          2HA       GLY  12   2.370  -8.689   0.233
   74   2HA   GLY  12          1HA       GLY  12   4.006  -8.365   0.807
   75    H    ARG  13           H        ARG  13   4.050  -7.890   2.946
   76    HA   ARG  13           HA       ARG  13   1.623  -6.844   4.289
   77   1HB   ARG  13          2HB       ARG  13   3.281  -8.752   5.018
   78   2HB   ARG  13          1HB       ARG  13   4.281  -7.416   5.586
   79   1HG   ARG  13          2HG       ARG  13   1.511  -7.051   6.387
   80   2HG   ARG  13          1HG       ARG  13   2.135  -8.598   6.957
   81   1HD   ARG  13          2HD       ARG  13   4.245  -6.888   7.492
   82   2HD   ARG  13          1HD       ARG  13   2.827  -5.883   7.844
   83    HE   ARG  13           HE       ARG  13   2.045  -7.636   9.389
   84   1HH1  ARG  13          1HH2      ARG  13   4.075  -9.553   7.812
   85   2HH1  ARG  13          2HH2      ARG  13   5.107  -9.975   9.135
   86   1HH2  ARG  13          1HH1      ARG  13   3.872  -7.498  11.236
   87   2HH2  ARG  13          2HH1      ARG  13   4.994  -8.808  11.079
   88    H    GLY  14           H        GLY  14   3.398  -5.151   2.434
   89   1HA   GLY  14          2HA       GLY  14   3.504  -2.723   2.648
   90   2HA   GLY  14          1HA       GLY  14   3.827  -2.927   4.368
   91    H    LYS  15           H        LYS  15   5.415  -4.804   1.802
   92    HA   LYS  15           HA       LYS  15   8.041  -4.190   2.848
   93   1HB   LYS  15          2HB       LYS  15   6.888  -6.100   1.208
   94   2HB   LYS  15          1HB       LYS  15   7.886  -5.178   0.084
   95   1HG   LYS  15          2HG       LYS  15   9.329  -6.865   0.932
   96   2HG   LYS  15          1HG       LYS  15   9.769  -5.405   1.816
   97   1HD   LYS  15          2HD       LYS  15   7.843  -6.339   3.459
   98   2HD   LYS  15          1HD       LYS  15   8.409  -7.868   2.783
   99   1HE   LYS  15          2HE       LYS  15  10.567  -7.612   3.664
  100   2HE   LYS  15          1HE       LYS  15  10.412  -5.850   3.789
  101   1HZ   LYS  15          1HZ       LYS  15   8.727  -6.134   5.485
  102   2HZ   LYS  15          2HZ       LYS  15  10.149  -6.935   5.956
  103   3HZ   LYS  15          3HZ       LYS  15   8.830  -7.822   5.356
  104    HA   PRO  16           HA       PRO  16   8.455  -1.354  -0.964
  105   1HB   PRO  16          2HB       PRO  16   6.272  -0.949  -2.561
  106   2HB   PRO  16          1HB       PRO  16   7.414  -2.285  -2.816
  107   1HG   PRO  16          2HG       PRO  16   4.712  -2.311  -1.591
  108   2HG   PRO  16          1HG       PRO  16   5.521  -3.538  -2.577
  109   1HD   PRO  16          2HD       PRO  16   5.268  -3.635   0.173
  110   2HD   PRO  16          1HD       PRO  16   6.487  -4.520  -0.768
  111    HA   PRO  17           HA       PRO  17   6.593   1.858   1.511
  112   1HB   PRO  17          2HB       PRO  17   7.982   3.967   0.451
  113   2HB   PRO  17          1HB       PRO  17   8.688   2.829   1.615
  114   1HG   PRO  17          2HG       PRO  17   8.974   2.929  -1.347
  115   2HG   PRO  17          1HG       PRO  17  10.191   2.577  -0.109
  116   1HD   PRO  17          2HD       PRO  17   8.984   0.645  -1.588
  117   2HD   PRO  17          1HD       PRO  17   9.563   0.376   0.070
  118    H    CYS  18           H        CYS  18   4.538   2.541   1.032
  119    HA   CYS  18           HA       CYS  18   3.724   3.174  -1.720
  120   1HB   CYS  18          2HB       CYS  18   2.345   3.102   0.981
  121   2HB   CYS  18          1HB       CYS  18   1.504   3.509  -0.514
  122    H    CYS  19           H        CYS  19   2.131   5.263  -1.738
  123    HA   CYS  19           HA       CYS  19   3.850   7.576  -1.292
  124   1HB   CYS  19          2HB       CYS  19   1.457   6.844  -2.729
  125   2HB   CYS  19          1HB       CYS  19   1.171   8.343  -1.848
  126    H    LYS  20           H        LYS  20   3.067   9.501  -0.024
  127    HA   LYS  20           HA       LYS  20   2.543   8.883   2.689
  128   1HB   LYS  20          2HB       LYS  20   3.470  11.006   1.360
  129   2HB   LYS  20          1HB       LYS  20   1.798  11.542   1.540
  130   1HG   LYS  20          2HG       LYS  20   3.039  12.356   3.451
  131   2HG   LYS  20          1HG       LYS  20   1.989  11.055   4.009
  132   1HD   LYS  20          2HD       LYS  20   3.739   9.721   4.558
  133   2HD   LYS  20          1HD       LYS  20   4.617  10.117   3.080
  134   1HE   LYS  20          2HE       LYS  20   6.008  11.154   4.626
  135   2HE   LYS  20          1HE       LYS  20   4.868  12.484   4.349
  136   1HZ   LYS  20          1HZ       LYS  20   3.524  11.704   6.180
  137   2HZ   LYS  20          2HZ       LYS  20   5.112  11.969   6.723
  138   3HZ   LYS  20          3HZ       LYS  20   4.562  10.388   6.436
  139    H    GLY  21           H        GLY  21   0.648   8.168   3.566
  140   1HA   GLY  21          2HA       GLY  21  -1.692   8.547   4.128
  141   2HA   GLY  21          1HA       GLY  21  -1.918   9.289   2.546
  142    H    TYR  22           H        TYR  22  -0.040   6.590   2.026
  143    HA   TYR  22           HA       TYR  22  -2.445   4.925   1.363
  144   1HB   TYR  22          2HB       TYR  22   0.342   5.116   0.167
  145   2HB   TYR  22          1HB       TYR  22  -0.884   3.969  -0.364
  146    HD1  TYR  22           HD1      TYR  22  -0.323   7.644   0.141
  147    HD2  TYR  22           HD2      TYR  22  -2.430   4.587  -2.015
  148    HE1  TYR  22           HE1      TYR  22  -1.289   9.368  -1.352
  149    HE2  TYR  22           HE2      TYR  22  -3.399   6.314  -3.509
  150    HH   TYR  22           HH       TYR  22  -3.750   9.243  -2.952
  151    H    ALA  23           H        ALA  23  -2.564   2.913   2.337
  152    HA   ALA  23           HA       ALA  23  -0.151   1.954   3.852
  153   1HB   ALA  23          1HB       ALA  23  -2.207   2.815   5.106
  154   2HB   ALA  23          2HB       ALA  23  -1.680   1.188   5.533
  155   3HB   ALA  23          3HB       ALA  23  -3.067   1.413   4.467
  156    H    CYS  24           H        CYS  24   0.375  -0.254   3.656
  157    HA   CYS  24           HA       CYS  24  -0.829  -1.685   1.360
  158   1HB   CYS  24          2HB       CYS  24   1.668  -1.689   2.920
  159   2HB   CYS  24          1HB       CYS  24   1.108  -3.306   2.497
  160    H    SER  25           H        SER  25  -1.505  -3.966   1.618
  161    HA   SER  25           HA       SER  25  -2.395  -4.673   4.383
  162   1HB   SER  25          2HB       SER  25  -3.973  -4.375   1.839
  163   2HB   SER  25          1HB       SER  25  -4.534  -5.460   3.108
  164    HG   SER  25           HG       SER  25  -4.556  -2.734   2.988
  165    H    LYS  26           H        LYS  26  -1.748  -6.721   4.871
  166    HA   LYS  26           HA       LYS  26  -0.636  -8.492   2.833
  167   1HB   LYS  26          2HB       LYS  26   0.298  -8.380   5.084
  168   2HB   LYS  26          1HB       LYS  26  -1.266  -8.793   5.789
  169   1HG   LYS  26          2HG       LYS  26  -1.047 -11.015   5.302
  170   2HG   LYS  26          1HG       LYS  26  -0.244 -10.702   3.764
  171   1HD   LYS  26          2HD       LYS  26   1.741 -11.144   4.717
  172   2HD   LYS  26          1HD       LYS  26   1.497  -9.802   5.833
  173   1HE   LYS  26          2HE       LYS  26   0.302 -11.261   7.397
  174   2HE   LYS  26          1HE       LYS  26   0.426 -12.615   6.257
  175   1HZ   LYS  26          1HZ       LYS  26   2.225 -12.677   7.882
  176   2HZ   LYS  26          2HZ       LYS  26   2.718 -11.119   7.419
  177   3HZ   LYS  26          3HZ       LYS  26   2.833 -12.411   6.321
  178    H    THR  27           H        THR  27  -3.582  -8.387   4.822
  179    HA   THR  27           HA       THR  27  -4.708 -10.889   3.961
  180    HB   THR  27           HB       THR  27  -6.182  -8.371   4.810
  181    HG1  THR  27           HG1      THR  27  -5.206  -8.559   6.647
  182   1HG2  THR  27          1HG2      THR  27  -6.736 -11.336   4.953
  183   2HG2  THR  27          2HG2      THR  27  -7.719 -10.073   4.210
  184   3HG2  THR  27          3HG2      THR  27  -7.595 -10.174   5.966
  185    H    TRP  28           H        TRP  28  -4.944  -7.570   2.713
  186    HA   TRP  28           HA       TRP  28  -6.829  -8.298   0.578
  187   1HB   TRP  28          2HB       TRP  28  -5.155  -5.821   1.141
  188   2HB   TRP  28          1HB       TRP  28  -6.427  -5.914  -0.070
  189    HD1  TRP  28           HD1      TRP  28  -7.691  -7.934   2.621
  190    HE1  TRP  28           HE1      TRP  28  -9.236  -6.609   4.190
  191    HE3  TRP  28           HE3      TRP  28  -6.528  -3.170   1.191
  192    HZ2  TRP  28           HZ2      TRP  28  -9.912  -3.888   4.758
  193    HZ3  TRP  28           HZ3      TRP  28  -7.640  -1.232   2.261
  194    HH2  TRP  28           HH2      TRP  28  -9.330  -1.587   4.042
  195    H    GLY  29           H        GLY  29  -3.378  -7.407   0.813
  196   1HA   GLY  29          2HA       GLY  29  -1.651  -8.464  -0.503
  197   2HA   GLY  29          1HA       GLY  29  -2.868  -8.908  -1.697
  198    H    TRP  30           H        TRP  30  -3.087  -5.631  -0.561
  199    HA   TRP  30           HA       TRP  30  -1.326  -4.616  -2.719
  200   1HB   TRP  30          2HB       TRP  30  -3.101  -3.603  -3.967
  201   2HB   TRP  30          1HB       TRP  30  -3.597  -5.264  -3.670
  202    HD1  TRP  30           HD1      TRP  30  -4.114  -1.760  -2.097
  203    HE1  TRP  30           HE1      TRP  30  -6.490  -1.669  -1.121
  204    HE3  TRP  30           HE3      TRP  30  -5.640  -6.543  -3.040
  205    HZ2  TRP  30           HZ2      TRP  30  -8.751  -3.388  -0.787
  206    HZ3  TRP  30           HZ3      TRP  30  -7.912  -7.286  -2.385
  207    HH2  TRP  30           HH2      TRP  30  -9.466  -5.714  -1.262
  208    H    CYS  31           H        CYS  31  -1.752  -2.067  -2.831
  209    HA   CYS  31           HA       CYS  31  -1.844  -1.051  -0.006
  210   1HB   CYS  31          2HB       CYS  31   0.386  -1.212  -1.310
  211   2HB   CYS  31          1HB       CYS  31  -0.242   0.108  -2.294
  212    H    ALA  32           H        ALA  32  -3.368   0.501   0.331
  213    HA   ALA  32           HA       ALA  32  -4.162   2.322  -1.878
  214   1HB   ALA  32          1HB       ALA  32  -5.668   0.432  -2.103
  215   2HB   ALA  32          2HB       ALA  32  -6.577   1.759  -1.380
  216   3HB   ALA  32          3HB       ALA  32  -5.997   0.433  -0.371
  217    H    VAL  33           H        VAL  33  -5.574   4.126  -1.004
  218    HA   VAL  33           HA       VAL  33  -4.476   5.258   1.397
  219    HB   VAL  33           HB       VAL  33  -7.020   5.889  -0.147
  220   1HG1  VAL  33          1HG1      VAL  33  -7.343   7.238   1.673
  221   2HG1  VAL  33          2HG1      VAL  33  -6.150   8.256   0.865
  222   3HG1  VAL  33          3HG1      VAL  33  -5.649   7.164   2.156
  223   1HG2  VAL  33          1HG2      VAL  33  -5.680   6.753  -1.739
  224   2HG2  VAL  33          2HG2      VAL  33  -4.296   6.063  -0.895
  225   3HG2  VAL  33          3HG2      VAL  33  -4.812   7.710  -0.539
  226    H    GLU  34           H        GLU  34  -5.375   5.420   3.495
  227    HA   GLU  34           HA       GLU  34  -7.153   3.253   4.318
  228   1HB   GLU  34          2HB       GLU  34  -5.546   5.449   5.548
  229   2HB   GLU  34          1HB       GLU  34  -6.870   4.794   6.512
  230   1HG   GLU  34          2HG       GLU  34  -5.540   2.572   5.354
  231   2HG   GLU  34          1HG       GLU  34  -4.284   3.636   5.990
  232    H    ALA  35           H        ALA  35  -9.091   3.863   3.059
  233    HA   ALA  35           HA       ALA  35 -10.446   6.381   3.356
  234   1HB   ALA  35          1HB       ALA  35 -10.970   3.663   2.284
  235   2HB   ALA  35          2HB       ALA  35 -11.245   5.238   1.539
  236   3HB   ALA  35          3HB       ALA  35 -12.403   4.599   2.705
  237    HA   PRO  36           HA       PRO  36 -13.162   4.249   6.668
  238   1HB   PRO  36          2HB       PRO  36 -12.438   1.769   7.576
  239   2HB   PRO  36          1HB       PRO  36 -13.522   2.014   6.192
  240   1HG   PRO  36          2HG       PRO  36 -10.623   1.344   6.228
  241   2HG   PRO  36          1HG       PRO  36 -11.905   0.756   5.158
  242   1HD   PRO  36          2HD       PRO  36 -10.110   2.674   4.438
  243   2HD   PRO  36          1HD       PRO  36 -11.750   2.563   3.763
  Start of MODEL   15
    1   1H    ASP   1          1H        ASP   1  15.110   5.284   3.279
    2   2H    ASP   1          2H        ASP   1  14.044   6.370   4.039
    3   3H    ASP   1          3H        ASP   1  14.944   6.865   2.684
    4    HA   ASP   1           HA       ASP   1  13.732   5.352   1.254
    5   1HB   ASP   1          2HB       ASP   1  12.998   4.381   3.950
    6   2HB   ASP   1          1HB       ASP   1  11.674   4.378   2.785
    7    H    GLY   2           H        GLY   2  12.067   6.357   0.146
    8   1HA   GLY   2          2HA       GLY   2   9.895   7.772   1.371
    9   2HA   GLY   2          1HA       GLY   2  11.140   8.922   0.885
   10    H    GLU   3           H        GLU   3   9.378   6.107  -0.460
   11    HA   GLU   3           HA       GLU   3   9.256   7.583  -3.072
   12   1HB   GLU   3          2HB       GLU   3  10.415   5.072  -2.351
   13   2HB   GLU   3          1HB       GLU   3   9.029   4.743  -3.390
   14   1HG   GLU   3          2HG       GLU   3  10.172   6.867  -4.686
   15   2HG   GLU   3          1HG       GLU   3  11.595   6.051  -4.037
   16    H    CYS   4           H        CYS   4   7.400   6.575  -4.474
   17    HA   CYS   4           HA       CYS   4   5.050   5.859  -2.762
   18   1HB   CYS   4          2HB       CYS   4   4.579   8.090  -3.071
   19   2HB   CYS   4          1HB       CYS   4   5.537   8.195  -4.544
   20    H    GLY   5           H        GLY   5   3.364   4.756  -3.938
   21   1HA   GLY   5          2HA       GLY   5   4.311   3.459  -6.457
   22   2HA   GLY   5          1HA       GLY   5   3.245   2.678  -5.285
   23    H    GLY   6           H        GLY   6   1.048   3.075  -5.391
   24   1HA   GLY   6          2HA       GLY   6   0.039   5.274  -7.088
   25   2HA   GLY   6          1HA       GLY   6  -0.384   3.638  -7.590
   26    H    PHE   7           H        PHE   7  -2.645   4.127  -7.169
   27    HA   PHE   7           HA       PHE   7  -3.433   4.697  -4.369
   28   1HB   PHE   7          2HB       PHE   7  -5.124   4.200  -6.839
   29   2HB   PHE   7          1HB       PHE   7  -5.641   4.984  -5.348
   30    HD1  PHE   7           HD1      PHE   7  -3.140   6.636  -4.835
   31    HD2  PHE   7           HD2      PHE   7  -5.443   5.982  -8.402
   32    HE1  PHE   7           HE1      PHE   7  -2.375   8.817  -5.727
   33    HE2  PHE   7           HE2      PHE   7  -4.676   8.165  -9.294
   34    HZ   PHE   7           HZ       PHE   7  -3.141   9.581  -7.957
   35    H    TRP   8           H        TRP   8  -3.400   2.013  -6.651
   36    HA   TRP   8           HA       TRP   8  -4.189   0.186  -4.426
   37   1HB   TRP   8          2HB       TRP   8  -6.041   1.029  -6.155
   38   2HB   TRP   8          1HB       TRP   8  -5.328  -0.217  -7.176
   39    HD1  TRP   8           HD1      TRP   8  -4.840  -2.596  -5.443
   40    HE1  TRP   8           HE1      TRP   8  -6.706  -3.804  -4.138
   41    HE3  TRP   8           HE3      TRP   8  -8.321   1.135  -5.219
   42    HZ2  TRP   8           HZ2      TRP   8  -9.327  -3.259  -3.128
   43    HZ3  TRP   8           HZ3      TRP   8 -10.491   0.763  -4.082
   44    HH2  TRP   8           HH2      TRP   8 -10.998  -1.428  -3.038
   45    H    TRP   9           H        TRP   9  -1.670   0.080  -4.798
   46    HA   TRP   9           HA       TRP   9  -0.933  -1.632  -7.140
   47   1HB   TRP   9          2HB       TRP   9   0.528   0.053  -5.101
   48   2HB   TRP   9          1HB       TRP   9   1.403  -1.111  -6.094
   49    HD1  TRP   9           HD1      TRP   9  -1.586   0.712  -7.577
   50    HE1  TRP   9           HE1      TRP   9  -0.763   2.339  -9.393
   51    HE3  TRP   9           HE3      TRP   9   3.463   0.381  -6.849
   52    HZ2  TRP   9           HZ2      TRP   9   1.694   3.376 -10.392
   53    HZ3  TRP   9           HZ3      TRP   9   5.019   1.704  -8.255
   54    HH2  TRP   9           HH2      TRP   9   4.140   3.198 -10.027
   55    H    LYS  10           H        LYS  10   0.213  -3.677  -6.752
   56    HA   LYS  10           HA       LYS  10  -0.697  -5.021  -4.282
   57   1HB   LYS  10          2HB       LYS  10   0.323  -5.741  -6.970
   58   2HB   LYS  10          1HB       LYS  10   0.702  -6.878  -5.676
   59   1HG   LYS  10          2HG       LYS  10  -1.431  -7.606  -5.568
   60   2HG   LYS  10          1HG       LYS  10  -2.058  -5.958  -5.511
   61   1HD   LYS  10          2HD       LYS  10  -2.874  -6.392  -7.582
   62   2HD   LYS  10          1HD       LYS  10  -1.213  -6.168  -8.128
   63   1HE   LYS  10          2HE       LYS  10  -1.723  -8.290  -9.007
   64   2HE   LYS  10          1HE       LYS  10  -0.968  -8.722  -7.462
   65   1HZ   LYS  10          1HZ       LYS  10  -3.577  -8.182  -6.820
   66   2HZ   LYS  10          2HZ       LYS  10  -2.886  -9.726  -6.971
   67   3HZ   LYS  10          3HZ       LYS  10  -3.695  -9.025  -8.289
   68    H    CYS  11           H        CYS  11   0.604  -5.561  -2.585
   69    HA   CYS  11           HA       CYS  11   3.542  -5.598  -2.916
   70   1HB   CYS  11          2HB       CYS  11   3.836  -3.938  -1.119
   71   2HB   CYS  11          1HB       CYS  11   2.881  -3.247  -2.426
   72    H    GLY  12           H        GLY  12   4.521  -6.135  -0.595
   73   1HA   GLY  12          2HA       GLY  12   3.122  -8.523   0.369
   74   2HA   GLY  12          1HA       GLY  12   4.698  -7.949   0.921
   75    H    ARG  13           H        ARG  13   4.670  -7.299   3.016
   76    HA   ARG  13           HA       ARG  13   2.120  -6.533   4.295
   77   1HB   ARG  13          2HB       ARG  13   4.128  -8.026   5.162
   78   2HB   ARG  13          1HB       ARG  13   4.816  -6.467   5.617
   79   1HG   ARG  13          2HG       ARG  13   1.977  -6.823   6.352
   80   2HG   ARG  13          1HG       ARG  13   3.096  -7.895   7.191
   81   1HD   ARG  13          2HD       ARG  13   4.509  -5.769   7.642
   82   2HD   ARG  13          1HD       ARG  13   3.045  -4.872   7.190
   83    HE   ARG  13           HE       ARG  13   1.853  -6.232   8.970
   84   1HH1  ARG  13          1HH2      ARG  13   4.405  -7.965   9.359
   85   2HH1  ARG  13          2HH2      ARG  13   4.960  -7.353  10.881
   86   1HH2  ARG  13          1HH1      ARG  13   2.939  -4.531  10.789
   87   2HH2  ARG  13          2HH1      ARG  13   4.129  -5.409  11.692
   88    H    GLY  14           H        GLY  14   5.235  -5.093   3.446
   89   1HA   GLY  14          2HA       GLY  14   4.145  -2.456   3.142
   90   2HA   GLY  14          1HA       GLY  14   4.988  -2.575   4.688
   91    H    LYS  15           H        LYS  15   5.869  -4.264   1.678
   92    HA   LYS  15           HA       LYS  15   8.637  -3.427   1.939
   93   1HB   LYS  15          2HB       LYS  15   6.966  -5.099   0.152
   94   2HB   LYS  15          1HB       LYS  15   8.454  -4.471  -0.557
   95   1HG   LYS  15          2HG       LYS  15   9.792  -5.736   0.796
   96   2HG   LYS  15          1HG       LYS  15   8.710  -5.582   2.180
   97   1HD   LYS  15          2HD       LYS  15   8.540  -7.862   1.569
   98   2HD   LYS  15          1HD       LYS  15   7.107  -7.120   0.860
   99   1HE   LYS  15          2HE       LYS  15   9.515  -7.080  -0.875
  100   2HE   LYS  15          1HE       LYS  15   8.832  -8.686  -0.562
  101   1HZ   LYS  15          1HZ       LYS  15   7.626  -7.810  -2.379
  102   2HZ   LYS  15          2HZ       LYS  15   7.437  -6.296  -1.635
  103   3HZ   LYS  15          3HZ       LYS  15   6.602  -7.650  -1.038
  104    HA   PRO  16           HA       PRO  16   8.009  -0.621  -1.823
  105   1HB   PRO  16          2HB       PRO  16   5.636  -0.648  -3.181
  106   2HB   PRO  16          1HB       PRO  16   6.968  -1.763  -3.548
  107   1HG   PRO  16          2HG       PRO  16   4.475  -2.233  -2.005
  108   2HG   PRO  16          1HG       PRO  16   5.342  -3.313  -3.109
  109   1HD   PRO  16          2HD       PRO  16   5.477  -3.483  -0.373
  110   2HD   PRO  16          1HD       PRO  16   6.750  -4.056  -1.472
  111    HA   PRO  17           HA       PRO  17   5.822   2.187   0.884
  112   1HB   PRO  17          2HB       PRO  17   7.034   4.478   0.016
  113   2HB   PRO  17          1HB       PRO  17   7.818   3.325   1.112
  114   1HG   PRO  17          2HG       PRO  17   8.186   3.708  -1.811
  115   2HG   PRO  17          1HG       PRO  17   9.378   3.309  -0.566
  116   1HD   PRO  17          2HD       PRO  17   8.296   1.479  -2.297
  117   2HD   PRO  17          1HD       PRO  17   8.956   1.071  -0.698
  118    H    CYS  18           H        CYS  18   3.680   2.286   0.121
  119    HA   CYS  18           HA       CYS  18   2.882   3.230  -2.485
  120   1HB   CYS  18          2HB       CYS  18   1.689   1.916  -0.442
  121   2HB   CYS  18          1HB       CYS  18   1.109   3.541  -0.090
  122    H    CYS  19           H        CYS  19   1.638   5.360  -2.788
  123    HA   CYS  19           HA       CYS  19   3.168   7.633  -2.141
  124   1HB   CYS  19          2HB       CYS  19   0.630   6.979  -3.350
  125   2HB   CYS  19          1HB       CYS  19   0.461   8.437  -2.371
  126    H    LYS  20           H        LYS  20   2.962   9.273  -0.523
  127    HA   LYS  20           HA       LYS  20   2.500   8.530   2.126
  128   1HB   LYS  20          2HB       LYS  20   2.650  11.063   0.569
  129   2HB   LYS  20          1HB       LYS  20   1.983  11.188   2.199
  130   1HG   LYS  20          2HG       LYS  20   4.030   9.802   2.943
  131   2HG   LYS  20          1HG       LYS  20   4.712  10.198   1.366
  132   1HD   LYS  20          2HD       LYS  20   4.898  12.456   1.856
  133   2HD   LYS  20          1HD       LYS  20   3.573  12.420   3.020
  134   1HE   LYS  20          2HE       LYS  20   5.988  10.790   3.692
  135   2HE   LYS  20          1HE       LYS  20   6.137  12.553   3.822
  136   1HZ   LYS  20          1HZ       LYS  20   5.244  11.530   5.865
  137   2HZ   LYS  20          2HZ       LYS  20   3.911  10.958   4.982
  138   3HZ   LYS  20          3HZ       LYS  20   4.160  12.630   5.163
  139    H    GLY  21           H        GLY  21   0.646   7.890   3.116
  140   1HA   GLY  21          2HA       GLY  21  -1.635   8.583   3.867
  141   2HA   GLY  21          1HA       GLY  21  -1.944   9.083   2.202
  142    H    TYR  22           H        TYR  22  -0.440   6.641   1.210
  143    HA   TYR  22           HA       TYR  22  -2.709   4.724   1.444
  144   1HB   TYR  22          2HB       TYR  22  -0.347   5.009  -0.447
  145   2HB   TYR  22          1HB       TYR  22  -1.549   3.728  -0.565
  146    HD1  TYR  22           HD1      TYR  22  -1.278   7.473  -0.420
  147    HD2  TYR  22           HD2      TYR  22  -3.480   4.068  -1.832
  148    HE1  TYR  22           HE1      TYR  22  -2.767   8.973  -1.712
  149    HE2  TYR  22           HE2      TYR  22  -4.971   5.569  -3.125
  150    HH   TYR  22           HH       TYR  22  -4.248   8.815  -3.720
  151    H    ALA  23           H        ALA  23  -2.405   2.802   2.547
  152    HA   ALA  23           HA       ALA  23   0.378   2.161   3.478
  153   1HB   ALA  23          1HB       ALA  23  -2.154   1.160   4.757
  154   2HB   ALA  23          2HB       ALA  23  -1.643   2.825   5.033
  155   3HB   ALA  23          3HB       ALA  23  -0.590   1.491   5.503
  156    H    CYS  24           H        CYS  24   0.960  -0.113   3.514
  157    HA   CYS  24           HA       CYS  24  -0.327  -1.675   1.352
  158   1HB   CYS  24          2HB       CYS  24   2.251  -1.552   2.791
  159   2HB   CYS  24          1HB       CYS  24   1.721  -3.193   2.427
  160    H    SER  25           H        SER  25  -1.200  -3.797   1.720
  161    HA   SER  25           HA       SER  25  -1.838  -4.416   4.584
  162   1HB   SER  25          2HB       SER  25  -3.489  -4.237   2.096
  163   2HB   SER  25          1HB       SER  25  -3.961  -5.401   3.329
  164    HG   SER  25           HG       SER  25  -4.753  -3.777   4.379
  165    H    LYS  26           H        LYS  26  -1.271  -6.461   5.210
  166    HA   LYS  26           HA       LYS  26  -0.012  -8.308   3.336
  167   1HB   LYS  26          2HB       LYS  26   0.469  -7.876   5.838
  168   2HB   LYS  26          1HB       LYS  26  -0.949  -8.873   6.159
  169   1HG   LYS  26          2HG       LYS  26   0.364 -10.451   4.372
  170   2HG   LYS  26          1HG       LYS  26   1.726  -9.659   5.164
  171   1HD   LYS  26          2HD       LYS  26   1.486 -11.243   6.768
  172   2HD   LYS  26          1HD       LYS  26   0.100 -10.293   7.300
  173   1HE   LYS  26          2HE       LYS  26  -1.216 -11.663   5.484
  174   2HE   LYS  26          1HE       LYS  26   0.137 -12.803   5.632
  175   1HZ   LYS  26          1HZ       LYS  26  -1.551 -13.335   7.258
  176   2HZ   LYS  26          2HZ       LYS  26  -1.522 -11.748   7.865
  177   3HZ   LYS  26          3HZ       LYS  26  -0.168 -12.758   8.052
  178    H    THR  27           H        THR  27  -3.077  -8.209   5.135
  179    HA   THR  27           HA       THR  27  -4.106 -10.744   4.211
  180    HB   THR  27           HB       THR  27  -5.622  -8.267   5.105
  181    HG1  THR  27           HG1      THR  27  -4.863  -8.609   7.025
  182   1HG2  THR  27          1HG2      THR  27  -7.213  -9.946   5.999
  183   2HG2  THR  27          2HG2      THR  27  -6.218 -11.234   5.317
  184   3HG2  THR  27          3HG2      THR  27  -7.030 -10.087   4.251
  185    H    TRP  28           H        TRP  28  -4.387  -7.402   3.028
  186    HA   TRP  28           HA       TRP  28  -6.242  -8.092   0.867
  187   1HB   TRP  28          2HB       TRP  28  -4.526  -5.644   1.420
  188   2HB   TRP  28          1HB       TRP  28  -5.819  -5.719   0.233
  189    HD1  TRP  28           HD1      TRP  28  -7.031  -7.693   3.007
  190    HE1  TRP  28           HE1      TRP  28  -8.540  -6.318   4.573
  191    HE3  TRP  28           HE3      TRP  28  -5.907  -2.970   1.406
  192    HZ2  TRP  28           HZ2      TRP  28  -9.200  -3.584   5.077
  193    HZ3  TRP  28           HZ3      TRP  28  -6.995  -1.002   2.447
  194    HH2  TRP  28           HH2      TRP  28  -8.639  -1.303   4.279
  195    H    GLY  29           H        GLY  29  -2.782  -7.226   1.110
  196   1HA   GLY  29          2HA       GLY  29  -1.039  -8.237  -0.204
  197   2HA   GLY  29          1HA       GLY  29  -2.254  -8.773  -1.362
  198    H    TRP  30           H        TRP  30  -2.535  -5.463  -0.327
  199    HA   TRP  30           HA       TRP  30  -0.883  -4.471  -2.574
  200   1HB   TRP  30          2HB       TRP  30  -2.738  -3.562  -3.792
  201   2HB   TRP  30          1HB       TRP  30  -3.175  -5.222  -3.410
  202    HD1  TRP  30           HD1      TRP  30  -3.686  -1.689  -1.909
  203    HE1  TRP  30           HE1      TRP  30  -6.021  -1.609  -0.843
  204    HE3  TRP  30           HE3      TRP  30  -5.181  -6.503  -2.703
  205    HZ2  TRP  30           HZ2      TRP  30  -8.248  -3.347  -0.394
  206    HZ3  TRP  30           HZ3      TRP  30  -7.417  -7.263  -1.952
  207    HH2  TRP  30           HH2      TRP  30  -8.950  -5.692  -0.798
  208    H    CYS  31           H        CYS  31  -1.292  -1.928  -2.714
  209    HA   CYS  31           HA       CYS  31  -1.419  -0.883   0.085
  210   1HB   CYS  31          2HB       CYS  31   0.451   0.459  -0.371
  211   2HB   CYS  31          1HB       CYS  31   0.827  -1.016  -1.249
  212    H    ALA  32           H        ALA  32  -3.018   0.484   0.418
  213    HA   ALA  32           HA       ALA  32  -3.904   2.399  -1.680
  214   1HB   ALA  32          1HB       ALA  32  -5.142   0.146  -1.822
  215   2HB   ALA  32          2HB       ALA  32  -6.155   1.581  -1.666
  216   3HB   ALA  32          3HB       ALA  32  -5.852   0.559  -0.261
  217    H    VAL  33           H        VAL  33  -5.863   3.732  -0.518
  218    HA   VAL  33           HA       VAL  33  -4.733   4.893   1.888
  219    HB   VAL  33           HB       VAL  33  -7.441   5.158   0.530
  220   1HG1  VAL  33          1HG1      VAL  33  -6.150   6.997   2.568
  221   2HG1  VAL  33          2HG1      VAL  33  -7.431   5.849   2.951
  222   3HG1  VAL  33          3HG1      VAL  33  -7.745   7.181   1.839
  223   1HG2  VAL  33          1HG2      VAL  33  -4.754   6.403   0.186
  224   2HG2  VAL  33          2HG2      VAL  33  -6.147   7.479   0.067
  225   3HG2  VAL  33          3HG2      VAL  33  -6.012   6.092  -1.012
  226    H    GLU  34           H        GLU  34  -4.843   3.912   3.866
  227    HA   GLU  34           HA       GLU  34  -6.570   1.702   4.493
  228   1HB   GLU  34          2HB       GLU  34  -5.636   2.003   6.750
  229   2HB   GLU  34          1HB       GLU  34  -4.372   2.195   5.538
  230   1HG   GLU  34          2HG       GLU  34  -5.541   4.762   5.931
  231   2HG   GLU  34          1HG       GLU  34  -5.232   4.080   7.528
  232    H    ALA  35           H        ALA  35  -8.394   1.633   5.916
  233    HA   ALA  35           HA       ALA  35 -10.508   2.373   6.656
  234   1HB   ALA  35          1HB       ALA  35  -8.907   3.259   8.345
  235   2HB   ALA  35          2HB       ALA  35 -10.318   4.303   8.164
  236   3HB   ALA  35          3HB       ALA  35  -8.786   4.755   7.418
  237    HA   PRO  36           HA       PRO  36 -10.897   5.228   2.946
  238   1HB   PRO  36          2HB       PRO  36 -12.380   3.540   1.383
  239   2HB   PRO  36          1HB       PRO  36 -10.606   3.573   1.362
  240   1HG   PRO  36          2HG       PRO  36 -12.447   1.669   2.714
  241   2HG   PRO  36          1HG       PRO  36 -10.904   1.366   1.904
  242   1HD   PRO  36          2HD       PRO  36 -11.190   1.503   4.617
  243   2HD   PRO  36          1HD       PRO  36  -9.678   1.879   3.761
  Start of MODEL   16
    1   1H    ASP   1          1H        ASP   1  11.532  11.649  -0.523
    2   2H    ASP   1          2H        ASP   1  12.540  11.987  -1.848
    3   3H    ASP   1          3H        ASP   1  12.406  10.399  -1.263
    4    HA   ASP   1           HA       ASP   1   9.975  10.481  -1.859
    5   1HB   ASP   1          2HB       ASP   1  11.056  13.125  -2.788
    6   2HB   ASP   1          1HB       ASP   1   9.747  12.382  -3.704
    7    H    GLY   2           H        GLY   2   9.384   9.692  -4.048
    8   1HA   GLY   2          2HA       GLY   2  10.116   9.223  -6.378
    9   2HA   GLY   2          1HA       GLY   2  11.763   9.080  -5.762
   10    H    GLU   3           H        GLU   3  11.241   7.505  -3.460
   11    HA   GLU   3           HA       GLU   3  10.795   4.875  -4.744
   12   1HB   GLU   3          2HB       GLU   3  11.720   4.058  -2.580
   13   2HB   GLU   3          1HB       GLU   3  12.755   5.282  -3.310
   14   1HG   GLU   3          2HG       GLU   3  12.374   6.783  -1.638
   15   2HG   GLU   3          1HG       GLU   3  10.669   6.355  -1.508
   16    H    CYS   4           H        CYS   4   8.364   6.062  -4.763
   17    HA   CYS   4           HA       CYS   4   6.908   4.874  -2.423
   18   1HB   CYS   4          2HB       CYS   4   5.882   6.876  -2.158
   19   2HB   CYS   4          1HB       CYS   4   7.090   7.528  -3.257
   20    H    GLY   5           H        GLY   5   4.808   3.919  -2.949
   21   1HA   GLY   5          2HA       GLY   5   4.797   2.590  -5.546
   22   2HA   GLY   5          1HA       GLY   5   3.633   2.335  -4.248
   23    H    GLY   6           H        GLY   6   1.614   2.958  -4.801
   24   1HA   GLY   6          2HA       GLY   6   1.196   5.551  -6.142
   25   2HA   GLY   6          1HA       GLY   6   0.655   4.134  -7.038
   26    H    PHE   7           H        PHE   7  -1.582   4.478  -6.879
   27    HA   PHE   7           HA       PHE   7  -2.809   4.984  -4.233
   28   1HB   PHE   7          2HB       PHE   7  -3.692   6.231  -6.069
   29   2HB   PHE   7          1HB       PHE   7  -3.779   4.801  -7.094
   30    HD1  PHE   7           HD1      PHE   7  -5.171   6.269  -3.941
   31    HD2  PHE   7           HD2      PHE   7  -5.748   3.512  -7.186
   32    HE1  PHE   7           HE1      PHE   7  -7.492   5.848  -3.172
   33    HE2  PHE   7           HE2      PHE   7  -8.068   3.093  -6.417
   34    HZ   PHE   7           HZ       PHE   7  -8.940   4.261  -4.411
   35    H    TRP   8           H        TRP   8  -2.698   2.400  -6.676
   36    HA   TRP   8           HA       TRP   8  -3.702   0.500  -4.596
   37   1HB   TRP   8          2HB       TRP   8  -5.515   1.363  -6.151
   38   2HB   TRP   8          1HB       TRP   8  -4.644   0.603  -7.480
   39    HD1  TRP   8           HD1      TRP   8  -4.028  -1.691  -4.818
   40    HE1  TRP   8           HE1      TRP   8  -5.739  -3.615  -4.755
   41    HE3  TRP   8           HE3      TRP   8  -7.682   0.275  -7.799
   42    HZ2  TRP   8           HZ2      TRP   8  -8.316  -4.238  -5.819
   43    HZ3  TRP   8           HZ3      TRP   8  -9.753  -1.006  -8.255
   44    HH2  TRP   8           HH2      TRP   8 -10.074  -3.258  -7.269
   45    H    TRP   9           H        TRP   9  -1.253   0.152  -4.656
   46    HA   TRP   9           HA       TRP   9  -0.334  -1.421  -7.029
   47   1HB   TRP   9          2HB       TRP   9   0.989   0.011  -4.712
   48   2HB   TRP   9          1HB       TRP   9   1.896  -1.098  -5.739
   49    HD1  TRP   9           HD1      TRP   9  -0.860   1.171  -7.127
   50    HE1  TRP   9           HE1      TRP   9   0.193   2.860  -8.753
   51    HE3  TRP   9           HE3      TRP   9   4.092   0.155  -6.377
   52    HZ2  TRP   9           HZ2      TRP   9   2.777   3.684  -9.619
   53    HZ3  TRP   9           HZ3      TRP   9   5.822   1.419  -7.620
   54    HH2  TRP   9           HH2      TRP   9   5.174   3.176  -9.241
   55    H    LYS  10           H        LYS  10   0.663  -3.549  -6.634
   56    HA   LYS  10           HA       LYS  10  -0.648  -4.984  -4.404
   57   1HB   LYS  10          2HB       LYS  10   0.665  -5.603  -6.991
   58   2HB   LYS  10          1HB       LYS  10   0.782  -6.848  -5.748
   59   1HG   LYS  10          2HG       LYS  10  -1.249  -7.449  -6.653
   60   2HG   LYS  10          1HG       LYS  10  -1.816  -6.272  -5.467
   61   1HD   LYS  10          2HD       LYS  10  -2.213  -4.638  -7.068
   62   2HD   LYS  10          1HD       LYS  10  -1.023  -5.300  -8.189
   63   1HE   LYS  10          2HE       LYS  10  -2.763  -7.384  -8.098
   64   2HE   LYS  10          1HE       LYS  10  -3.881  -6.032  -7.829
   65   1HZ   LYS  10          1HZ       LYS  10  -3.575  -6.337 -10.184
   66   2HZ   LYS  10          2HZ       LYS  10  -1.886  -6.270 -10.022
   67   3HZ   LYS  10          3HZ       LYS  10  -2.827  -4.888  -9.723
   68    H    CYS  11           H        CYS  11   0.384  -5.671  -2.584
   69    HA   CYS  11           HA       CYS  11   3.311  -6.013  -2.570
   70   1HB   CYS  11          2HB       CYS  11   3.610  -4.421  -0.738
   71   2HB   CYS  11          1HB       CYS  11   2.824  -3.606  -2.086
   72    H    GLY  12           H        GLY  12   3.962  -6.780  -0.215
   73   1HA   GLY  12          2HA       GLY  12   1.960  -8.821   0.605
   74   2HA   GLY  12          1HA       GLY  12   3.675  -8.840   1.020
   75    H    ARG  13           H        ARG  13   4.133  -8.262   3.081
   76    HA   ARG  13           HA       ARG  13   2.057  -6.941   4.737
   77   1HB   ARG  13          2HB       ARG  13   3.330  -8.995   5.429
   78   2HB   ARG  13          1HB       ARG  13   4.813  -8.046   5.404
   79   1HG   ARG  13          2HG       ARG  13   3.822  -8.284   7.695
   80   2HG   ARG  13          1HG       ARG  13   3.989  -6.608   7.181
   81   1HD   ARG  13          2HD       ARG  13   1.585  -6.604   6.495
   82   2HD   ARG  13          1HD       ARG  13   1.436  -8.258   7.120
   83    HE   ARG  13           HE       ARG  13   2.596  -6.841   9.214
   84   1HH1  ARG  13          1HH1      ARG  13   0.896  -4.624   7.868
   85   2HH1  ARG  13          2HH1      ARG  13  -0.541  -4.709   8.832
   86   1HH2  ARG  13          1HH2      ARG  13   0.256  -7.796  10.217
   87   2HH2  ARG  13          2HH2      ARG  13  -0.904  -6.510  10.166
   88    H    GLY  14           H        GLY  14   3.327  -5.304   2.672
   89   1HA   GLY  14          2HA       GLY  14   3.899  -2.980   2.738
   90   2HA   GLY  14          1HA       GLY  14   4.435  -3.182   4.405
   91    H    LYS  15           H        LYS  15   5.415  -5.259   1.697
   92    HA   LYS  15           HA       LYS  15   8.212  -5.046   2.343
   93   1HB   LYS  15          2HB       LYS  15   6.474  -6.515   0.601
   94   2HB   LYS  15          1HB       LYS  15   7.809  -5.885  -0.362
   95   1HG   LYS  15          2HG       LYS  15   8.355  -8.101   0.582
   96   2HG   LYS  15          1HG       LYS  15   9.426  -6.853   1.220
   97   1HD   LYS  15          2HD       LYS  15   8.670  -7.138   3.335
   98   2HD   LYS  15          1HD       LYS  15   6.987  -7.188   2.813
   99   1HE   LYS  15          2HE       LYS  15   8.291  -9.579   1.886
  100   2HE   LYS  15          1HE       LYS  15   8.601  -9.388   3.622
  101   1HZ   LYS  15          1HZ       LYS  15   6.474 -10.472   3.269
  102   2HZ   LYS  15          2HZ       LYS  15   5.949  -9.186   2.291
  103   3HZ   LYS  15          3HZ       LYS  15   6.235  -8.936   3.947
  104    HA   PRO  16           HA       PRO  16   8.594  -2.160  -1.434
  105   1HB   PRO  16          2HB       PRO  16   6.333  -1.468  -2.811
  106   2HB   PRO  16          1HB       PRO  16   7.290  -2.914  -3.193
  107   1HG   PRO  16          2HG       PRO  16   4.736  -2.675  -1.697
  108   2HG   PRO  16          1HG       PRO  16   5.287  -3.946  -2.800
  109   1HD   PRO  16          2HD       PRO  16   5.307  -4.157  -0.060
  110   2HD   PRO  16          1HD       PRO  16   6.362  -5.086  -1.146
  111    HA   PRO  17           HA       PRO  17   7.434   1.269   1.135
  112   1HB   PRO  17          2HB       PRO  17   8.771   3.237  -0.219
  113   2HB   PRO  17          1HB       PRO  17   9.582   2.060   0.834
  114   1HG   PRO  17          2HG       PRO  17   9.351   2.103  -2.135
  115   2HG   PRO  17          1HG       PRO  17  10.725   1.646  -1.116
  116   1HD   PRO  17          2HD       PRO  17   9.090  -0.164  -2.326
  117   2HD   PRO  17          1HD       PRO  17   9.955  -0.487  -0.807
  118    H    CYS  18           H        CYS  18   5.349   2.021   0.984
  119    HA   CYS  18           HA       CYS  18   4.175   2.787  -1.609
  120   1HB   CYS  18          2HB       CYS  18   3.191   2.692   1.259
  121   2HB   CYS  18          1HB       CYS  18   2.170   3.167  -0.099
  122    H    CYS  19           H        CYS  19   2.798   4.953  -1.477
  123    HA   CYS  19           HA       CYS  19   4.707   7.124  -0.870
  124   1HB   CYS  19          2HB       CYS  19   1.896   7.432  -1.926
  125   2HB   CYS  19          1HB       CYS  19   3.313   8.417  -2.277
  126    H    LYS  20           H        LYS  20   3.866   9.097   0.315
  127    HA   LYS  20           HA       LYS  20   3.033   8.532   2.939
  128   1HB   LYS  20          2HB       LYS  20   4.189  10.573   2.181
  129   2HB   LYS  20          1HB       LYS  20   2.743  11.067   1.298
  130   1HG   LYS  20          2HG       LYS  20   2.065  12.115   3.178
  131   2HG   LYS  20          1HG       LYS  20   1.837  10.521   3.896
  132   1HD   LYS  20          2HD       LYS  20   4.496  10.759   4.243
  133   2HD   LYS  20          1HD       LYS  20   4.059  12.468   4.269
  134   1HE   LYS  20          2HE       LYS  20   2.375  12.008   6.035
  135   2HE   LYS  20          1HE       LYS  20   2.856  10.300   6.030
  136   1HZ   LYS  20          1HZ       LYS  20   4.689  12.593   6.510
  137   2HZ   LYS  20          2HZ       LYS  20   5.118  10.950   6.530
  138   3HZ   LYS  20          3HZ       LYS  20   4.073  11.572   7.715
  139    H    GLY  21           H        GLY  21   1.048   8.009   3.777
  140   1HA   GLY  21          2HA       GLY  21  -1.324   8.418   4.079
  141   2HA   GLY  21          1HA       GLY  21  -1.405   9.013   2.422
  142    H    TYR  22           H        TYR  22   0.281   6.616   1.555
  143    HA   TYR  22           HA       TYR  22  -2.007   4.741   1.263
  144   1HB   TYR  22          2HB       TYR  22   0.732   4.851  -0.047
  145   2HB   TYR  22          1HB       TYR  22  -0.604   3.815  -0.543
  146    HD1  TYR  22           HD1      TYR  22   0.635   7.295  -0.396
  147    HD2  TYR  22           HD2      TYR  22  -2.519   4.712  -1.742
  148    HE1  TYR  22           HE1      TYR  22  -0.240   9.116  -1.828
  149    HE2  TYR  22           HE2      TYR  22  -3.397   6.535  -3.175
  150    HH   TYR  22           HH       TYR  22  -2.000   8.840  -4.275
  151    H    ALA  23           H        ALA  23  -2.064   2.856   2.399
  152    HA   ALA  23           HA       ALA  23   0.446   1.910   3.752
  153   1HB   ALA  23          1HB       ALA  23  -2.362   1.296   4.656
  154   2HB   ALA  23          2HB       ALA  23  -1.641   2.861   5.032
  155   3HB   ALA  23          3HB       ALA  23  -0.885   1.380   5.617
  156    H    CYS  24           H        CYS  24   0.795  -0.393   3.747
  157    HA   CYS  24           HA       CYS  24  -0.476  -1.796   1.473
  158   1HB   CYS  24          2HB       CYS  24   1.981  -1.946   3.097
  159   2HB   CYS  24          1HB       CYS  24   1.322  -3.523   2.664
  160    H    SER  25           H        SER  25  -1.364  -3.975   1.740
  161    HA   SER  25           HA       SER  25  -2.354  -4.588   4.500
  162   1HB   SER  25          2HB       SER  25  -3.789  -3.971   1.979
  163   2HB   SER  25          1HB       SER  25  -4.428  -5.324   2.905
  164    HG   SER  25           HG       SER  25  -5.222  -3.914   4.229
  165    H    LYS  26           H        LYS  26  -1.470  -6.577   4.969
  166    HA   LYS  26           HA       LYS  26  -0.649  -8.487   2.951
  167   1HB   LYS  26          2HB       LYS  26   0.366  -8.259   5.199
  168   2HB   LYS  26          1HB       LYS  26  -1.155  -8.768   5.934
  169   1HG   LYS  26          2HG       LYS  26  -0.890 -10.967   5.298
  170   2HG   LYS  26          1HG       LYS  26   0.021 -10.549   3.846
  171   1HD   LYS  26          2HD       LYS  26   2.009 -10.641   4.927
  172   2HD   LYS  26          1HD       LYS  26   1.381  -9.797   6.341
  173   1HE   LYS  26          2HE       LYS  26   0.599 -11.781   7.341
  174   2HE   LYS  26          1HE       LYS  26   0.588 -12.661   5.799
  175   1HZ   LYS  26          1HZ       LYS  26   3.046 -11.573   7.066
  176   2HZ   LYS  26          2HZ       LYS  26   2.955 -12.582   5.702
  177   3HZ   LYS  26          3HZ       LYS  26   2.536 -13.181   7.234
  178    H    THR  27           H        THR  27  -3.514  -8.120   5.013
  179    HA   THR  27           HA       THR  27  -4.780 -10.630   4.493
  180    HB   THR  27           HB       THR  27  -6.154  -7.955   4.888
  181    HG1  THR  27           HG1      THR  27  -4.778  -9.586   6.758
  182   1HG2  THR  27          1HG2      THR  27  -7.252 -10.400   4.604
  183   2HG2  THR  27          2HG2      THR  27  -7.943  -9.163   5.652
  184   3HG2  THR  27          3HG2      THR  27  -6.928 -10.432   6.337
  185    H    TRP  28           H        TRP  28  -4.952  -7.508   2.799
  186    HA   TRP  28           HA       TRP  28  -6.767  -8.571   0.731
  187   1HB   TRP  28          2HB       TRP  28  -5.281  -5.930   1.004
  188   2HB   TRP  28          1HB       TRP  28  -6.604  -6.253  -0.110
  189    HD1  TRP  28           HD1      TRP  28  -7.960  -8.075   2.482
  190    HE1  TRP  28           HE1      TRP  28  -9.369  -6.701   4.142
  191    HE3  TRP  28           HE3      TRP  28  -6.306  -3.371   1.369
  192    HZ2  TRP  28           HZ2      TRP  28  -9.756  -3.972   4.894
  193    HZ3  TRP  28           HZ3      TRP  28  -7.215  -1.405   2.571
  194    HH2  TRP  28           HH2      TRP  28  -8.937  -1.701   4.331
  195    H    GLY  29           H        GLY  29  -3.489  -7.102   0.720
  196   1HA   GLY  29          2HA       GLY  29  -1.664  -8.421  -0.375
  197   2HA   GLY  29          1HA       GLY  29  -2.832  -8.847  -1.620
  198    H    TRP  30           H        TRP  30  -2.892  -5.539  -0.441
  199    HA   TRP  30           HA       TRP  30  -1.103  -4.630  -2.617
  200   1HB   TRP  30          2HB       TRP  30  -2.847  -3.421  -3.780
  201   2HB   TRP  30          1HB       TRP  30  -3.372  -5.090  -3.596
  202    HD1  TRP  30           HD1      TRP  30  -3.774  -1.733  -1.701
  203    HE1  TRP  30           HE1      TRP  30  -6.153  -1.648  -0.736
  204    HE3  TRP  30           HE3      TRP  30  -5.473  -6.322  -3.152
  205    HZ2  TRP  30           HZ2      TRP  30  -8.482  -3.301  -0.600
  206    HZ3  TRP  30           HZ3      TRP  30  -7.780  -7.039  -2.596
  207    HH2  TRP  30           HH2      TRP  30  -9.284  -5.533  -1.323
  208    H    CYS  31           H        CYS  31  -1.499  -2.013  -2.709
  209    HA   CYS  31           HA       CYS  31  -1.459  -1.030   0.123
  210   1HB   CYS  31          2HB       CYS  31   0.772  -1.367  -1.176
  211   2HB   CYS  31          1HB       CYS  31   0.268   0.045  -2.106
  212    H    ALA  32           H        ALA  32  -2.872   0.623   0.435
  213    HA   ALA  32           HA       ALA  32  -3.446   2.541  -1.762
  214   1HB   ALA  32          1HB       ALA  32  -5.889   2.123  -1.503
  215   2HB   ALA  32          2HB       ALA  32  -5.528   0.822  -0.368
  216   3HB   ALA  32          3HB       ALA  32  -5.035   0.682  -2.056
  217    H    VAL  33           H        VAL  33  -5.046   4.282  -0.840
  218    HA   VAL  33           HA       VAL  33  -3.916   5.540   1.443
  219    HB   VAL  33           HB       VAL  33  -6.703   5.770   0.248
  220   1HG1  VAL  33          1HG1      VAL  33  -6.689   6.884   2.379
  221   2HG1  VAL  33          2HG1      VAL  33  -6.499   8.138   1.154
  222   3HG1  VAL  33          3HG1      VAL  33  -5.100   7.582   2.070
  223   1HG2  VAL  33          1HG2      VAL  33  -5.823   7.160  -1.366
  224   2HG2  VAL  33          2HG2      VAL  33  -4.404   6.149  -1.101
  225   3HG2  VAL  33          3HG2      VAL  33  -4.522   7.725  -0.320
  226    H    GLU  34           H        GLU  34  -4.710   5.722   3.632
  227    HA   GLU  34           HA       GLU  34  -5.919   3.271   4.687
  228   1HB   GLU  34          2HB       GLU  34  -4.209   5.333   5.556
  229   2HB   GLU  34          1HB       GLU  34  -5.660   5.493   6.549
  230   1HG   GLU  34          2HG       GLU  34  -4.340   2.814   6.101
  231   2HG   GLU  34          1HG       GLU  34  -3.829   3.891   7.400
  232    H    ALA  35           H        ALA  35  -8.101   3.240   3.945
  233    HA   ALA  35           HA       ALA  35  -9.936   5.058   5.393
  234   1HB   ALA  35          1HB       ALA  35  -9.303   6.213   3.284
  235   2HB   ALA  35          2HB       ALA  35 -11.013   5.782   3.299
  236   3HB   ALA  35          3HB       ALA  35  -9.869   4.817   2.367
  237    HA   PRO  36           HA       PRO  36 -12.321   1.339   5.403
  238   1HB   PRO  36          2HB       PRO  36 -14.791   2.388   5.950
  239   2HB   PRO  36          1HB       PRO  36 -13.508   2.248   7.167
  240   1HG   PRO  36          2HG       PRO  36 -14.386   4.626   5.607
  241   2HG   PRO  36          1HG       PRO  36 -13.869   4.511   7.296
  242   1HD   PRO  36          2HD       PRO  36 -12.266   5.432   5.292
  243   2HD   PRO  36          1HD       PRO  36 -11.648   4.655   6.767
  Start of MODEL   17
    1   1H    ASP   1          1H        ASP   1  14.564  10.868  -4.353
    2   2H    ASP   1          2H        ASP   1  15.731   9.868  -5.074
    3   3H    ASP   1          3H        ASP   1  15.287   9.628  -3.452
    4    HA   ASP   1           HA       ASP   1  13.532   9.208  -5.823
    5   1HB   ASP   1          2HB       ASP   1  15.538   7.656  -4.457
    6   2HB   ASP   1          1HB       ASP   1  13.963   6.907  -4.197
    7    H    GLY   2           H        GLY   2  11.382   9.313  -5.304
    8   1HA   GLY   2          2HA       GLY   2  10.521   9.891  -2.594
    9   2HA   GLY   2          1HA       GLY   2   9.462   9.648  -3.983
   10    H    GLU   3           H        GLU   3   9.885   8.456  -1.048
   11    HA   GLU   3           HA       GLU   3   9.914   5.568  -1.696
   12   1HB   GLU   3          2HB       GLU   3   9.893   5.349   0.767
   13   2HB   GLU   3          1HB       GLU   3  11.128   6.494   0.253
   14   1HG   GLU   3          2HG       GLU   3   8.786   8.028   0.581
   15   2HG   GLU   3          1HG       GLU   3   8.833   6.941   1.969
   16    H    CYS   4           H        CYS   4   7.755   6.583  -2.983
   17    HA   CYS   4           HA       CYS   4   5.439   5.728  -1.281
   18   1HB   CYS   4          2HB       CYS   4   4.965   7.966  -1.425
   19   2HB   CYS   4          1HB       CYS   4   5.976   8.192  -2.847
   20    H    GLY   5           H        GLY   5   3.678   4.762  -2.528
   21   1HA   GLY   5          2HA       GLY   5   4.633   3.490  -5.048
   22   2HA   GLY   5          1HA       GLY   5   3.390   2.821  -3.989
   23    H    GLY   6           H        GLY   6   1.295   3.234  -4.520
   24   1HA   GLY   6          2HA       GLY   6   0.584   5.704  -5.960
   25   2HA   GLY   6          1HA       GLY   6   0.317   4.208  -6.851
   26    H    PHE   7           H        PHE   7  -2.001   4.787  -6.782
   27    HA   PHE   7           HA       PHE   7  -3.405   4.837  -4.209
   28   1HB   PHE   7          2HB       PHE   7  -4.173   6.153  -6.107
   29   2HB   PHE   7          1HB       PHE   7  -4.279   4.711  -7.113
   30    HD1  PHE   7           HD1      PHE   7  -6.126   3.161  -6.906
   31    HD2  PHE   7           HD2      PHE   7  -5.782   6.524  -4.254
   32    HE1  PHE   7           HE1      PHE   7  -8.451   2.787  -6.131
   33    HE2  PHE   7           HE2      PHE   7  -8.110   6.149  -3.480
   34    HZ   PHE   7           HZ       PHE   7  -9.442   4.280  -4.419
   35    H    TRP   8           H        TRP   8  -2.782   2.445  -6.753
   36    HA   TRP   8           HA       TRP   8  -3.839   0.336  -4.925
   37   1HB   TRP   8          2HB       TRP   8  -5.668   0.930  -6.423
   38   2HB   TRP   8          1HB       TRP   8  -4.606   0.809  -7.825
   39    HD1  TRP   8           HD1      TRP   8  -5.390  -1.573  -4.864
   40    HE1  TRP   8           HE1      TRP   8  -5.836  -3.921  -5.825
   41    HE3  TRP   8           HE3      TRP   8  -4.832  -0.610  -9.850
   42    HZ2  TRP   8           HZ2      TRP   8  -5.944  -5.222  -8.370
   43    HZ3  TRP   8           HZ3      TRP   8  -5.112  -2.421 -11.518
   44    HH2  TRP   8           HH2      TRP   8  -5.666  -4.723 -10.785
   45    H    TRP   9           H        TRP   9  -1.443   0.077  -4.702
   46    HA   TRP   9           HA       TRP   9  -0.142  -1.244  -7.064
   47   1HB   TRP   9          2HB       TRP   9   0.809   0.245  -4.606
   48   2HB   TRP   9          1HB       TRP   9   1.919  -0.771  -5.523
   49    HD1  TRP   9           HD1      TRP   9  -0.838   1.244  -7.249
   50    HE1  TRP   9           HE1      TRP   9   0.247   3.054  -8.715
   51    HE3  TRP   9           HE3      TRP   9   4.043   0.701  -5.852
   52    HZ2  TRP   9           HZ2      TRP   9   2.826   4.143  -9.219
   53    HZ3  TRP   9           HZ3      TRP   9   5.792   2.145  -6.847
   54    HH2  TRP   9           HH2      TRP   9   5.195   3.860  -8.532
   55    H    LYS  10           H        LYS  10   1.035  -3.282  -6.616
   56    HA   LYS  10           HA       LYS  10  -0.338  -4.909  -4.560
   57   1HB   LYS  10          2HB       LYS  10   1.272  -5.317  -7.016
   58   2HB   LYS  10          1HB       LYS  10   1.411  -6.576  -5.789
   59   1HG   LYS  10          2HG       LYS  10  -0.612  -7.392  -6.336
   60   2HG   LYS  10          1HG       LYS  10  -1.354  -5.819  -6.051
   61   1HD   LYS  10          2HD       LYS  10  -1.746  -5.727  -8.271
   62   2HD   LYS  10          1HD       LYS  10  -0.009  -5.500  -8.477
   63   1HE   LYS  10          2HE       LYS  10  -0.394  -7.384  -9.827
   64   2HE   LYS  10          1HE       LYS  10   0.039  -8.151  -8.286
   65   1HZ   LYS  10          1HZ       LYS  10  -2.295  -8.235  -7.692
   66   2HZ   LYS  10          2HZ       LYS  10  -2.052  -9.032  -9.172
   67   3HZ   LYS  10          3HZ       LYS  10  -2.729  -7.473  -9.145
   68    H    CYS  11           H        CYS  11   0.593  -5.574  -2.669
   69    HA   CYS  11           HA       CYS  11   3.529  -5.533  -2.365
   70   1HB   CYS  11          2HB       CYS  11   3.438  -3.997  -0.478
   71   2HB   CYS  11          1HB       CYS  11   2.618  -3.239  -1.839
   72    H    GLY  12           H        GLY  12   4.140  -6.502  -0.172
   73   1HA   GLY  12          2HA       GLY  12   2.342  -8.769   0.419
   74   2HA   GLY  12          1HA       GLY  12   3.989  -8.568   1.018
   75    H    ARG  13           H        ARG  13   4.188  -7.963   3.115
   76    HA   ARG  13           HA       ARG  13   1.769  -7.120   4.614
   77   1HB   ARG  13          2HB       ARG  13   4.280  -8.511   5.082
   78   2HB   ARG  13          1HB       ARG  13   4.056  -7.231   6.272
   79   1HG   ARG  13          2HG       ARG  13   2.889  -8.940   7.308
   80   2HG   ARG  13          1HG       ARG  13   1.588  -8.215   6.364
   81   1HD   ARG  13          2HD       ARG  13   1.422 -10.546   5.892
   82   2HD   ARG  13          1HD       ARG  13   2.305  -9.895   4.496
   83    HE   ARG  13           HE       ARG  13   3.678 -11.148   6.850
   84   1HH1  ARG  13          1HH1      ARG  13   3.021 -12.503   4.101
   85   2HH1  ARG  13          2HH1      ARG  13   4.588 -12.444   3.363
   86   1HH2  ARG  13          1HH2      ARG  13   5.868 -10.163   5.649
   87   2HH2  ARG  13          2HH2      ARG  13   6.202 -11.113   4.242
   88    H    GLY  14           H        GLY  14   3.174  -5.270   2.665
   89   1HA   GLY  14          2HA       GLY  14   3.176  -2.852   2.851
   90   2HA   GLY  14          1HA       GLY  14   3.596  -3.015   4.555
   91    H    LYS  15           H        LYS  15   5.165  -4.781   1.900
   92    HA   LYS  15           HA       LYS  15   7.804  -4.146   2.815
   93   1HB   LYS  15          2HB       LYS  15   6.491  -5.647   0.712
   94   2HB   LYS  15          1HB       LYS  15   7.922  -4.828   0.084
   95   1HG   LYS  15          2HG       LYS  15   8.878  -6.779   0.894
   96   2HG   LYS  15          1HG       LYS  15   9.027  -5.738   2.310
   97   1HD   LYS  15          2HD       LYS  15   6.486  -7.272   2.016
   98   2HD   LYS  15          1HD       LYS  15   7.931  -8.184   2.453
   99   1HE   LYS  15          2HE       LYS  15   8.308  -6.364   4.261
  100   2HE   LYS  15          1HE       LYS  15   6.615  -5.924   3.970
  101   1HZ   LYS  15          1HZ       LYS  15   6.083  -8.336   4.216
  102   2HZ   LYS  15          2HZ       LYS  15   6.627  -7.596   5.644
  103   3HZ   LYS  15          3HZ       LYS  15   7.674  -8.588   4.747
  104    HA   PRO  16           HA       PRO  16   8.091  -0.930  -0.682
  105   1HB   PRO  16          2HB       PRO  16   5.910  -0.488  -2.275
  106   2HB   PRO  16          1HB       PRO  16   7.128  -1.729  -2.634
  107   1HG   PRO  16          2HG       PRO  16   4.425  -2.021  -1.436
  108   2HG   PRO  16          1HG       PRO  16   5.286  -3.088  -2.556
  109   1HD   PRO  16          2HD       PRO  16   5.060  -3.541   0.143
  110   2HD   PRO  16          1HD       PRO  16   6.367  -4.185  -0.873
  111    HA   PRO  17           HA       PRO  17   5.979   1.886   2.072
  112   1HB   PRO  17          2HB       PRO  17   7.386   4.139   1.406
  113   2HB   PRO  17          1HB       PRO  17   8.034   2.872   2.466
  114   1HG   PRO  17          2HG       PRO  17   8.560   3.375  -0.418
  115   2HG   PRO  17          1HG       PRO  17   9.672   2.858   0.858
  116   1HD   PRO  17          2HD       PRO  17   8.603   1.155  -0.986
  117   2HD   PRO  17          1HD       PRO  17   9.096   0.650   0.646
  118    H    CYS  18           H        CYS  18   3.925   2.460   1.446
  119    HA   CYS  18           HA       CYS  18   3.355   3.463  -1.254
  120   1HB   CYS  18          2HB       CYS  18   1.658   3.092   1.238
  121   2HB   CYS  18          1HB       CYS  18   1.025   3.451  -0.368
  122    H    CYS  19           H        CYS  19   1.895   5.511  -1.385
  123    HA   CYS  19           HA       CYS  19   3.333   7.795  -0.404
  124   1HB   CYS  19          2HB       CYS  19   0.999   7.152  -2.032
  125   2HB   CYS  19          1HB       CYS  19   0.724   8.596  -1.061
  126    H    LYS  20           H        LYS  20   2.787   9.252   1.297
  127    HA   LYS  20           HA       LYS  20   1.897   8.246   3.740
  128   1HB   LYS  20          2HB       LYS  20   1.686  10.633   4.371
  129   2HB   LYS  20          1HB       LYS  20   3.130  10.350   3.402
  130   1HG   LYS  20          2HG       LYS  20   1.000  10.893   1.590
  131   2HG   LYS  20          1HG       LYS  20   0.938  12.120   2.854
  132   1HD   LYS  20          2HD       LYS  20   3.128  12.864   2.415
  133   2HD   LYS  20          1HD       LYS  20   3.556  11.381   1.561
  134   1HE   LYS  20          2HE       LYS  20   2.434  12.017  -0.390
  135   2HE   LYS  20          1HE       LYS  20   1.349  13.121   0.477
  136   1HZ   LYS  20          1HZ       LYS  20   3.070  14.368  -0.669
  137   2HZ   LYS  20          2HZ       LYS  20   4.280  13.478   0.124
  138   3HZ   LYS  20          3HZ       LYS  20   3.265  14.515   1.009
  139    H    GLY  21           H        GLY  21  -0.083   7.831   4.640
  140   1HA   GLY  21          2HA       GLY  21  -2.444   8.327   5.001
  141   2HA   GLY  21          1HA       GLY  21  -2.524   8.965   3.358
  142    H    TYR  22           H        TYR  22  -0.934   6.631   2.321
  143    HA   TYR  22           HA       TYR  22  -3.220   4.775   1.999
  144   1HB   TYR  22          2HB       TYR  22  -0.450   4.842   0.749
  145   2HB   TYR  22          1HB       TYR  22  -1.796   3.849   0.207
  146    HD1  TYR  22           HD1      TYR  22  -0.489   5.580  -1.712
  147    HD2  TYR  22           HD2      TYR  22  -3.627   6.521   1.068
  148    HE1  TYR  22           HE1      TYR  22  -1.248   7.419  -3.191
  149    HE2  TYR  22           HE2      TYR  22  -4.381   8.360  -0.410
  150    HH   TYR  22           HH       TYR  22  -2.849   9.840  -2.437
  151    H    ALA  23           H        ALA  23  -2.991   2.480   2.400
  152    HA   ALA  23           HA       ALA  23  -0.673   1.668   4.117
  153   1HB   ALA  23          1HB       ALA  23  -2.053   1.260   5.883
  154   2HB   ALA  23          2HB       ALA  23  -3.288   0.536   4.855
  155   3HB   ALA  23          3HB       ALA  23  -3.211   2.289   5.040
  156    H    CYS  24           H        CYS  24  -0.195  -0.609   3.980
  157    HA   CYS  24           HA       CYS  24  -1.150  -1.891   1.484
  158   1HB   CYS  24          2HB       CYS  24   1.152  -2.028   3.315
  159   2HB   CYS  24          1HB       CYS  24   0.629  -3.605   2.726
  160    H    SER  25           H        SER  25  -1.823  -4.208   1.564
  161    HA   SER  25           HA       SER  25  -3.133  -4.956   4.151
  162   1HB   SER  25          2HB       SER  25  -4.270  -4.289   1.560
  163   2HB   SER  25          1HB       SER  25  -4.739  -5.910   2.063
  164    HG   SER  25           HG       SER  25  -5.901  -5.078   3.611
  165    H    LYS  26           H        LYS  26  -1.735  -6.644   4.690
  166    HA   LYS  26           HA       LYS  26  -0.543  -8.503   2.886
  167   1HB   LYS  26          2HB       LYS  26  -0.120  -9.777   4.933
  168   2HB   LYS  26          1HB       LYS  26   0.081  -8.060   5.268
  169   1HG   LYS  26          2HG       LYS  26  -2.302  -8.024   6.100
  170   2HG   LYS  26          1HG       LYS  26  -2.321  -9.781   5.939
  171   1HD   LYS  26          2HD       LYS  26  -0.017  -9.450   7.343
  172   2HD   LYS  26          1HD       LYS  26  -0.955  -8.084   7.946
  173   1HE   LYS  26          2HE       LYS  26  -2.258 -10.796   7.769
  174   2HE   LYS  26          1HE       LYS  26  -1.205 -10.412   9.144
  175   1HZ   LYS  26          1HZ       LYS  26  -3.496  -8.763   8.202
  176   2HZ   LYS  26          2HZ       LYS  26  -2.469  -8.376   9.500
  177   3HZ   LYS  26          3HZ       LYS  26  -3.487  -9.732   9.593
  178    H    THR  27           H        THR  27  -3.700  -8.480   4.476
  179    HA   THR  27           HA       THR  27  -4.457 -11.193   3.821
  180    HB   THR  27           HB       THR  27  -6.217  -8.768   4.308
  181    HG1  THR  27           HG1      THR  27  -5.508  -8.786   6.276
  182   1HG2  THR  27          1HG2      THR  27  -6.891 -11.385   3.716
  183   2HG2  THR  27          2HG2      THR  27  -7.923 -10.235   4.564
  184   3HG2  THR  27          3HG2      THR  27  -6.929 -11.367   5.479
  185    H    TRP  28           H        TRP  28  -4.972  -8.048   2.245
  186    HA   TRP  28           HA       TRP  28  -6.550  -9.208   0.052
  187   1HB   TRP  28          2HB       TRP  28  -5.303  -6.469   0.478
  188   2HB   TRP  28          1HB       TRP  28  -6.489  -6.862  -0.760
  189    HD1  TRP  28           HD1      TRP  28  -7.732  -8.853   1.870
  190    HE1  TRP  28           HE1      TRP  28  -9.468  -7.639   3.331
  191    HE3  TRP  28           HE3      TRP  28  -6.810  -4.019   0.507
  192    HZ2  TRP  28           HZ2      TRP  28 -10.369  -4.974   3.838
  193    HZ3  TRP  28           HZ3      TRP  28  -8.123  -2.164   1.491
  194    HH2  TRP  28           HH2      TRP  28  -9.899  -2.636   3.156
  195    H    GLY  29           H        GLY  29  -3.357  -7.603   0.317
  196   1HA   GLY  29          2HA       GLY  29  -1.407  -8.714  -0.757
  197   2HA   GLY  29          1HA       GLY  29  -2.482  -9.174  -2.072
  198    H    TRP  30           H        TRP  30  -2.907  -5.932  -0.828
  199    HA   TRP  30           HA       TRP  30  -1.039  -4.796  -2.826
  200   1HB   TRP  30          2HB       TRP  30  -2.806  -3.683  -4.075
  201   2HB   TRP  30          1HB       TRP  30  -3.132  -5.411  -4.038
  202    HD1  TRP  30           HD1      TRP  30  -4.141  -2.250  -2.030
  203    HE1  TRP  30           HE1      TRP  30  -6.588  -2.530  -1.292
  204    HE3  TRP  30           HE3      TRP  30  -5.074  -6.936  -3.830
  205    HZ2  TRP  30           HZ2      TRP  30  -8.676  -4.480  -1.445
  206    HZ3  TRP  30           HZ3      TRP  30  -7.301  -7.979  -3.524
  207    HH2  TRP  30           HH2      TRP  30  -9.101  -6.756  -2.335
  208    H    CYS  31           H        CYS  31  -1.814  -2.215  -2.906
  209    HA   CYS  31           HA       CYS  31  -2.039  -1.316  -0.056
  210   1HB   CYS  31          2HB       CYS  31   0.310  -1.430  -1.124
  211   2HB   CYS  31          1HB       CYS  31  -0.222  -0.094  -2.143
  212    H    ALA  32           H        ALA  32  -3.545   0.283   0.183
  213    HA   ALA  32           HA       ALA  32  -4.145   2.130  -2.063
  214   1HB   ALA  32          1HB       ALA  32  -6.636   1.554  -1.621
  215   2HB   ALA  32          2HB       ALA  32  -6.018   0.109  -0.819
  216   3HB   ALA  32          3HB       ALA  32  -5.683   0.381  -2.529
  217    H    VAL  33           H        VAL  33  -6.137   3.613  -1.097
  218    HA   VAL  33           HA       VAL  33  -5.015   4.933   1.241
  219    HB   VAL  33           HB       VAL  33  -7.751   5.315  -0.021
  220   1HG1  VAL  33          1HG1      VAL  33  -6.773   6.499   2.182
  221   2HG1  VAL  33          2HG1      VAL  33  -7.785   7.366   1.026
  222   3HG1  VAL  33          3HG1      VAL  33  -6.031   7.543   0.969
  223   1HG2  VAL  33          1HG2      VAL  33  -6.613   5.730  -1.945
  224   2HG2  VAL  33          2HG2      VAL  33  -5.059   5.774  -1.118
  225   3HG2  VAL  33          3HG2      VAL  33  -6.082   7.210  -1.147
  226    H    GLU  34           H        GLU  34  -5.086   3.365   2.945
  227    HA   GLU  34           HA       GLU  34  -7.800   2.438   3.795
  228   1HB   GLU  34          2HB       GLU  34  -4.981   1.495   4.385
  229   2HB   GLU  34          1HB       GLU  34  -6.424   0.785   5.108
  230   1HG   GLU  34          2HG       GLU  34  -7.265   0.473   2.686
  231   2HG   GLU  34          1HG       GLU  34  -5.598   0.787   2.202
  232    H    ALA  35           H        ALA  35  -4.949   4.241   4.871
  233    HA   ALA  35           HA       ALA  35  -5.977   4.541   7.624
  234   1HB   ALA  35          1HB       ALA  35  -3.708   6.132   6.481
  235   2HB   ALA  35          2HB       ALA  35  -3.510   4.385   6.624
  236   3HB   ALA  35          3HB       ALA  35  -3.846   5.354   8.057
  237    HA   PRO  36           HA       PRO  36  -8.141   8.306   6.911
  238   1HB   PRO  36          2HB       PRO  36  -7.778   9.573   9.313
  239   2HB   PRO  36          1HB       PRO  36  -8.872   8.192   9.101
  240   1HG   PRO  36          2HG       PRO  36  -6.116   8.267  10.221
  241   2HG   PRO  36          1HG       PRO  36  -7.523   7.328  10.745
  242   1HD   PRO  36          2HD       PRO  36  -5.486   6.275   9.275
  243   2HD   PRO  36          1HD       PRO  36  -7.157   5.672   9.204
  Start of MODEL   18
    1   1H    ASP   1          1H        ASP   1  10.412  11.641  -0.283
    2   2H    ASP   1          2H        ASP   1   9.345  12.925  -0.605
    3   3H    ASP   1          3H        ASP   1  10.941  12.973  -1.191
    4    HA   ASP   1           HA       ASP   1   8.834  11.044  -2.043
    5   1HB   ASP   1          2HB       ASP   1   9.887  13.679  -2.983
    6   2HB   ASP   1          1HB       ASP   1   9.467  12.489  -4.215
    7    H    GLY   2           H        GLY   2   9.583   9.446  -3.491
    8   1HA   GLY   2          2HA       GLY   2  11.883   9.279  -4.990
    9   2HA   GLY   2          1HA       GLY   2  12.442   8.842  -3.376
   10    H    GLU   3           H        GLU   3  11.171   7.053  -2.285
   11    HA   GLU   3           HA       GLU   3  10.454   4.971  -4.314
   12   1HB   GLU   3          2HB       GLU   3  12.299   5.001  -2.274
   13   2HB   GLU   3          1HB       GLU   3  10.929   4.200  -1.502
   14   1HG   GLU   3          2HG       GLU   3  10.894   2.459  -3.099
   15   2HG   GLU   3          1HG       GLU   3  11.870   3.376  -4.248
   16    H    CYS   4           H        CYS   4   8.219   5.431  -4.558
   17    HA   CYS   4           HA       CYS   4   6.542   4.756  -2.181
   18   1HB   CYS   4          2HB       CYS   4   5.770   6.874  -2.076
   19   2HB   CYS   4          1HB       CYS   4   6.932   7.329  -3.314
   20    H    GLY   5           H        GLY   5   4.448   3.874  -2.784
   21   1HA   GLY   5          2HA       GLY   5   4.495   2.480  -5.370
   22   2HA   GLY   5          1HA       GLY   5   3.340   2.209  -4.068
   23    H    GLY   6           H        GLY   6   1.330   2.699  -4.774
   24   1HA   GLY   6          2HA       GLY   6   0.875   5.341  -6.043
   25   2HA   GLY   6          1HA       GLY   6   0.319   3.915  -6.917
   26    H    PHE   7           H        PHE   7  -1.918   4.453  -6.699
   27    HA   PHE   7           HA       PHE   7  -3.057   4.867  -4.009
   28   1HB   PHE   7          2HB       PHE   7  -3.890   6.141  -5.910
   29   2HB   PHE   7          1HB       PHE   7  -4.234   4.657  -6.798
   30    HD1  PHE   7           HD1      PHE   7  -4.952   6.043  -3.369
   31    HD2  PHE   7           HD2      PHE   7  -6.475   4.032  -6.847
   32    HE1  PHE   7           HE1      PHE   7  -7.195   5.925  -2.319
   33    HE2  PHE   7           HE2      PHE   7  -8.718   3.916  -5.797
   34    HZ   PHE   7           HZ       PHE   7  -9.078   4.862  -3.534
   35    H    TRP   8           H        TRP   8  -2.733   2.241  -6.334
   36    HA   TRP   8           HA       TRP   8  -3.840   0.357  -4.327
   37   1HB   TRP   8          2HB       TRP   8  -5.469   1.457  -6.233
   38   2HB   TRP   8          1HB       TRP   8  -4.907   0.012  -7.068
   39    HD1  TRP   8           HD1      TRP   8  -5.542  -2.350  -6.028
   40    HE1  TRP   8           HE1      TRP   8  -7.368  -3.056  -4.350
   41    HE3  TRP   8           HE3      TRP   8  -6.814   2.218  -4.134
   42    HZ2  TRP   8           HZ2      TRP   8  -9.135  -1.842  -2.454
   43    HZ3  TRP   8           HZ3      TRP   8  -8.569   2.416  -2.395
   44    HH2  TRP   8           HH2      TRP   8  -9.729   0.393  -1.553
   45    H    TRP   9           H        TRP   9  -1.330   0.112  -4.595
   46    HA   TRP   9           HA       TRP   9  -0.562  -1.487  -6.993
   47   1HB   TRP   9          2HB       TRP   9   0.877  -0.120  -4.705
   48   2HB   TRP   9          1HB       TRP   9   1.725  -1.223  -5.787
   49    HD1  TRP   9           HD1      TRP   9  -1.056   1.025  -7.114
   50    HE1  TRP   9           HE1      TRP   9  -0.039   2.764  -8.713
   51    HE3  TRP   9           HE3      TRP   9   3.914   0.118  -6.364
   52    HZ2  TRP   9           HZ2      TRP   9   2.528   3.666  -9.550
   53    HZ3  TRP   9           HZ3      TRP   9   5.620   1.438  -7.581
   54    HH2  TRP   9           HH2      TRP   9   4.936   3.207  -9.176
   55    H    LYS  10           H        LYS  10   0.578  -3.595  -6.618
   56    HA   LYS  10           HA       LYS  10  -0.751  -5.115  -4.453
   57   1HB   LYS  10          2HB       LYS  10   0.650  -5.645  -7.016
   58   2HB   LYS  10          1HB       LYS  10   0.774  -6.909  -5.793
   59   1HG   LYS  10          2HG       LYS  10  -1.210  -7.556  -6.773
   60   2HG   LYS  10          1HG       LYS  10  -1.847  -6.432  -5.572
   61   1HD   LYS  10          2HD       LYS  10  -2.880  -5.810  -7.631
   62   2HD   LYS  10          1HD       LYS  10  -1.612  -4.614  -7.363
   63   1HE   LYS  10          2HE       LYS  10  -1.026  -5.154  -9.522
   64   2HE   LYS  10          1HE       LYS  10  -0.223  -6.532  -8.746
   65   1HZ   LYS  10          1HZ       LYS  10  -3.037  -6.485  -9.712
   66   2HZ   LYS  10          2HZ       LYS  10  -2.275  -7.799  -8.947
   67   3HZ   LYS  10          3HZ       LYS  10  -1.748  -7.278 -10.476
   68    H    CYS  11           H        CYS  11   0.253  -5.736  -2.599
   69    HA   CYS  11           HA       CYS  11   3.182  -6.052  -2.530
   70   1HB   CYS  11          2HB       CYS  11   3.431  -4.439  -0.704
   71   2HB   CYS  11          1HB       CYS  11   2.682  -3.645  -2.087
   72    H    GLY  12           H        GLY  12   3.751  -6.661  -0.057
   73   1HA   GLY  12          2HA       GLY  12   1.798  -8.774   0.711
   74   2HA   GLY  12          1HA       GLY  12   3.499  -8.734   1.180
   75    H    ARG  13           H        ARG  13   3.750  -8.289   3.305
   76    HA   ARG  13           HA       ARG  13   1.632  -6.847   4.798
   77   1HB   ARG  13          2HB       ARG  13   3.065  -9.027   5.368
   78   2HB   ARG  13          1HB       ARG  13   4.205  -7.833   5.987
   79   1HG   ARG  13          2HG       ARG  13   1.450  -7.277   6.804
   80   2HG   ARG  13          1HG       ARG  13   2.020  -8.849   7.367
   81   1HD   ARG  13          2HD       ARG  13   3.814  -6.452   7.680
   82   2HD   ARG  13          1HD       ARG  13   2.500  -6.720   8.841
   83    HE   ARG  13           HE       ARG  13   3.488  -8.907   9.367
   84   1HH1  ARG  13          1HH1      ARG  13   5.740  -6.871   9.706
   85   2HH1  ARG  13          2HH1      ARG  13   7.044  -7.676   8.899
   86   1HH2  ARG  13          1HH2      ARG  13   4.983  -9.960   7.281
   87   2HH2  ARG  13          2HH2      ARG  13   6.615  -9.432   7.526
   88    H    GLY  14           H        GLY  14   2.738  -5.039   3.071
   89   1HA   GLY  14          2HA       GLY  14   3.579  -2.833   3.181
   90   2HA   GLY  14          1HA       GLY  14   4.007  -3.117   4.866
   91    H    LYS  15           H        LYS  15   5.022  -5.087   2.082
   92    HA   LYS  15           HA       LYS  15   7.792  -5.047   2.921
   93   1HB   LYS  15          2HB       LYS  15   6.091  -6.459   1.135
   94   2HB   LYS  15          1HB       LYS  15   7.430  -5.833   0.175
   95   1HG   LYS  15          2HG       LYS  15   8.735  -6.744   2.411
   96   2HG   LYS  15          1HG       LYS  15   7.427  -7.919   2.255
   97   1HD   LYS  15          2HD       LYS  15   9.101  -8.840   0.894
   98   2HD   LYS  15          1HD       LYS  15   8.099  -7.969  -0.267
   99   1HE   LYS  15          2HE       LYS  15   9.640  -6.095  -0.296
  100   2HE   LYS  15          1HE       LYS  15  10.585  -6.797   1.030
  101   1HZ   LYS  15          1HZ       LYS  15  11.525  -7.301  -1.186
  102   2HZ   LYS  15          2HZ       LYS  15  10.097  -8.136  -1.581
  103   3HZ   LYS  15          3HZ       LYS  15  11.094  -8.696  -0.324
  104    HA   PRO  16           HA       PRO  16   8.503  -2.155  -0.793
  105   1HB   PRO  16          2HB       PRO  16   6.360  -1.342  -2.285
  106   2HB   PRO  16          1HB       PRO  16   7.255  -2.836  -2.621
  107   1HG   PRO  16          2HG       PRO  16   4.634  -2.461  -1.287
  108   2HG   PRO  16          1HG       PRO  16   5.193  -3.770  -2.337
  109   1HD   PRO  16          2HD       PRO  16   5.030  -3.917   0.415
  110   2HD   PRO  16          1HD       PRO  16   6.055  -4.953  -0.599
  111    HA   PRO  17           HA       PRO  17   7.354   1.363   1.650
  112   1HB   PRO  17          2HB       PRO  17   8.789   3.279   0.327
  113   2HB   PRO  17          1HB       PRO  17   9.538   2.083   1.403
  114   1HG   PRO  17          2HG       PRO  17   9.407   2.139  -1.567
  115   2HG   PRO  17          1HG       PRO  17  10.721   1.612  -0.503
  116   1HD   PRO  17          2HD       PRO  17   9.014  -0.101  -1.790
  117   2HD   PRO  17          1HD       PRO  17   9.869  -0.494  -0.284
  118    H    CYS  18           H        CYS  18   5.126   1.688   1.158
  119    HA   CYS  18           HA       CYS  18   4.173   2.668  -1.395
  120   1HB   CYS  18          2HB       CYS  18   3.125   1.667   1.026
  121   2HB   CYS  18          1HB       CYS  18   2.475   3.300   0.882
  122    H    CYS  19           H        CYS  19   2.821   4.879  -1.298
  123    HA   CYS  19           HA       CYS  19   4.767   6.992  -0.668
  124   1HB   CYS  19          2HB       CYS  19   1.926   7.480  -1.532
  125   2HB   CYS  19          1HB       CYS  19   3.390   8.335  -2.007
  126    H    LYS  20           H        LYS  20   4.131   8.896   0.683
  127    HA   LYS  20           HA       LYS  20   3.319   8.227   3.292
  128   1HB   LYS  20          2HB       LYS  20   4.577  10.261   2.439
  129   2HB   LYS  20          1HB       LYS  20   3.017  10.923   1.943
  130   1HG   LYS  20          2HG       LYS  20   2.408  10.252   4.484
  131   2HG   LYS  20          1HG       LYS  20   4.136  10.554   4.679
  132   1HD   LYS  20          2HD       LYS  20   3.109  12.661   5.058
  133   2HD   LYS  20          1HD       LYS  20   3.724  12.752   3.407
  134   1HE   LYS  20          2HE       LYS  20   1.618  13.281   2.747
  135   2HE   LYS  20          1HE       LYS  20   1.132  11.633   3.186
  136   1HZ   LYS  20          1HZ       LYS  20  -0.143  13.272   4.436
  137   2HZ   LYS  20          2HZ       LYS  20   1.290  13.947   5.051
  138   3HZ   LYS  20          3HZ       LYS  20   0.841  12.363   5.474
  139    H    GLY  21           H        GLY  21   1.317   7.613   4.013
  140   1HA   GLY  21          2HA       GLY  21  -1.024   8.226   4.426
  141   2HA   GLY  21          1HA       GLY  21  -1.087   8.909   2.802
  142    H    TYR  22           H        TYR  22   0.544   6.286   2.043
  143    HA   TYR  22           HA       TYR  22  -1.917   4.664   1.561
  144   1HB   TYR  22          2HB       TYR  22   0.851   4.667   0.305
  145   2HB   TYR  22          1HB       TYR  22  -0.492   3.655  -0.221
  146    HD1  TYR  22           HD1      TYR  22  -2.176   4.503  -1.665
  147    HD2  TYR  22           HD2      TYR  22   0.589   7.203   0.206
  148    HE1  TYR  22           HE1      TYR  22  -3.012   6.355  -3.089
  149    HE2  TYR  22           HE2      TYR  22  -0.246   9.049  -1.215
  150    HH   TYR  22           HH       TYR  22  -2.957   9.183  -2.644
  151    H    ALA  23           H        ALA  23  -2.137   2.705   2.569
  152    HA   ALA  23           HA       ALA  23   0.235   1.587   4.033
  153   1HB   ALA  23          1HB       ALA  23  -1.336   2.268   5.646
  154   2HB   ALA  23          2HB       ALA  23  -1.750   0.569   5.418
  155   3HB   ALA  23          3HB       ALA  23  -2.709   1.823   4.631
  156    H    CYS  24           H        CYS  24   0.573  -0.676   3.876
  157    HA   CYS  24           HA       CYS  24  -0.668  -1.979   1.527
  158   1HB   CYS  24          2HB       CYS  24   1.748  -2.233   3.214
  159   2HB   CYS  24          1HB       CYS  24   1.088  -3.769   2.650
  160    H    SER  25           H        SER  25  -1.577  -4.168   1.727
  161    HA   SER  25           HA       SER  25  -2.655  -4.782   4.455
  162   1HB   SER  25          2HB       SER  25  -3.972  -4.354   1.813
  163   2HB   SER  25          1HB       SER  25  -4.654  -5.591   2.866
  164    HG   SER  25           HG       SER  25  -4.534  -2.831   3.167
  165    H    LYS  26           H        LYS  26  -1.874  -6.761   5.044
  166    HA   LYS  26           HA       LYS  26  -0.751  -8.673   3.184
  167   1HB   LYS  26          2HB       LYS  26   0.032  -8.508   5.467
  168   2HB   LYS  26          1HB       LYS  26  -1.595  -8.763   6.096
  169   1HG   LYS  26          2HG       LYS  26  -0.969 -10.953   4.364
  170   2HG   LYS  26          1HG       LYS  26   0.383 -10.732   5.475
  171   1HD   LYS  26          2HD       LYS  26  -0.868 -11.263   7.324
  172   2HD   LYS  26          1HD       LYS  26  -2.342 -10.559   6.658
  173   1HE   LYS  26          2HE       LYS  26  -2.219 -12.565   4.958
  174   2HE   LYS  26          1HE       LYS  26  -1.185 -13.301   6.198
  175   1HZ   LYS  26          1HZ       LYS  26  -3.908 -12.181   6.612
  176   2HZ   LYS  26          2HZ       LYS  26  -2.902 -12.762   7.852
  177   3HZ   LYS  26          3HZ       LYS  26  -3.484 -13.822   6.658
  178    H    THR  27           H        THR  27  -3.873  -8.377   4.850
  179    HA   THR  27           HA       THR  27  -4.935 -10.938   3.997
  180    HB   THR  27           HB       THR  27  -6.428  -8.413   4.781
  181    HG1  THR  27           HG1      THR  27  -5.175 -10.384   6.399
  182   1HG2  THR  27          1HG2      THR  27  -7.072 -11.323   5.316
  183   2HG2  THR  27          2HG2      THR  27  -7.707 -10.424   3.937
  184   3HG2  THR  27          3HG2      THR  27  -8.118  -9.928   5.580
  185    H    TRP  28           H        TRP  28  -5.165  -7.613   2.753
  186    HA   TRP  28           HA       TRP  28  -6.978  -8.326   0.568
  187   1HB   TRP  28          2HB       TRP  28  -5.274  -5.873   1.132
  188   2HB   TRP  28          1HB       TRP  28  -6.548  -5.957  -0.075
  189    HD1  TRP  28           HD1      TRP  28  -7.922  -7.950   2.535
  190    HE1  TRP  28           HE1      TRP  28  -9.415  -6.602   4.138
  191    HE3  TRP  28           HE3      TRP  28  -6.492  -3.206   1.299
  192    HZ2  TRP  28           HZ2      TRP  28  -9.948  -3.875   4.805
  193    HZ3  TRP  28           HZ3      TRP  28  -7.512  -1.253   2.433
  194    HH2  TRP  28           HH2      TRP  28  -9.236  -1.583   4.182
  195    H    GLY  29           H        GLY  29  -3.528  -7.402   0.800
  196   1HA   GLY  29          2HA       GLY  29  -1.807  -8.569  -0.468
  197   2HA   GLY  29          1HA       GLY  29  -3.015  -8.956  -1.689
  198    H    TRP  30           H        TRP  30  -3.075  -5.681  -0.499
  199    HA   TRP  30           HA       TRP  30  -1.270  -4.726  -2.646
  200   1HB   TRP  30          2HB       TRP  30  -3.005  -3.569  -3.846
  201   2HB   TRP  30          1HB       TRP  30  -3.576  -5.215  -3.603
  202    HD1  TRP  30           HD1      TRP  30  -3.893  -1.766  -1.868
  203    HE1  TRP  30           HE1      TRP  30  -6.249  -1.593  -0.860
  204    HE3  TRP  30           HE3      TRP  30  -5.697  -6.396  -3.046
  205    HZ2  TRP  30           HZ2      TRP  30  -8.602  -3.198  -0.591
  206    HZ3  TRP  30           HZ3      TRP  30  -8.003  -7.042  -2.408
  207    HH2  TRP  30           HH2      TRP  30  -9.456  -5.449  -1.182
  208    H    CYS  31           H        CYS  31  -1.543  -2.145  -2.684
  209    HA   CYS  31           HA       CYS  31  -1.608  -1.199   0.165
  210   1HB   CYS  31          2HB       CYS  31   0.662  -1.472  -0.955
  211   2HB   CYS  31          1HB       CYS  31   0.173  -0.210  -2.082
  212    H    ALA  32           H        ALA  32  -2.975   0.493   0.499
  213    HA   ALA  32           HA       ALA  32  -3.589   2.382  -1.716
  214   1HB   ALA  32          1HB       ALA  32  -5.593   0.663  -0.220
  215   2HB   ALA  32          2HB       ALA  32  -5.244   0.620  -1.948
  216   3HB   ALA  32          3HB       ALA  32  -6.045   2.025  -1.245
  217    H    VAL  33           H        VAL  33  -4.975   4.245  -0.812
  218    HA   VAL  33           HA       VAL  33  -3.743   5.420   1.475
  219    HB   VAL  33           HB       VAL  33  -6.438   5.965   0.176
  220   1HG1  VAL  33          1HG1      VAL  33  -5.900   8.328   1.022
  221   2HG1  VAL  33          2HG1      VAL  33  -4.690   7.566   2.055
  222   3HG1  VAL  33          3HG1      VAL  33  -6.394   7.155   2.242
  223   1HG2  VAL  33          1HG2      VAL  33  -3.718   7.214  -0.330
  224   2HG2  VAL  33          2HG2      VAL  33  -5.219   7.595  -1.175
  225   3HG2  VAL  33          3HG2      VAL  33  -4.474   6.011  -1.374
  226    H    GLU  34           H        GLU  34  -4.694   5.876   3.596
  227    HA   GLU  34           HA       GLU  34  -6.331   3.611   4.603
  228   1HB   GLU  34          2HB       GLU  34  -4.319   5.518   5.611
  229   2HB   GLU  34          1HB       GLU  34  -5.618   5.180   6.753
  230   1HG   GLU  34          2HG       GLU  34  -3.993   3.052   5.327
  231   2HG   GLU  34          1HG       GLU  34  -3.702   3.590   6.981
  232    H    ALA  35           H        ALA  35  -7.633   5.748   2.997
  233    HA   ALA  35           HA       ALA  35  -9.052   7.552   4.762
  234   1HB   ALA  35          1HB       ALA  35 -10.254   6.758   2.169
  235   2HB   ALA  35          2HB       ALA  35  -8.594   7.344   2.082
  236   3HB   ALA  35          3HB       ALA  35  -9.855   8.363   2.778
  237    HA   PRO  36           HA       PRO  36 -12.625   4.388   4.349
  238   1HB   PRO  36          2HB       PRO  36 -12.077   1.915   3.321
  239   2HB   PRO  36          1HB       PRO  36 -12.586   3.288   2.318
  240   1HG   PRO  36          2HG       PRO  36  -9.872   2.155   2.734
  241   2HG   PRO  36          1HG       PRO  36 -10.603   2.831   1.271
  242   1HD   PRO  36          2HD       PRO  36  -8.821   4.169   2.863
  243   2HD   PRO  36          1HD       PRO  36 -10.014   4.965   1.815
  Start of MODEL   19
    1   1H    ASP   1          1H        ASP   1  15.924   2.685   1.086
    2   2H    ASP   1          2H        ASP   1  14.898   3.637   2.048
    3   3H    ASP   1          3H        ASP   1  16.151   4.363   1.163
    4    HA   ASP   1           HA       ASP   1  15.076   4.125  -0.862
    5   1HB   ASP   1          2HB       ASP   1  13.173   2.511  -1.092
    6   2HB   ASP   1          1HB       ASP   1  14.676   1.727  -0.607
    7    H    GLY   2           H        GLY   2  13.724   5.815  -1.341
    8   1HA   GLY   2          2HA       GLY   2  11.516   6.474   0.563
    9   2HA   GLY   2          1HA       GLY   2  12.621   7.739   0.021
   10    H    GLU   3           H        GLU   3  10.461   5.219  -1.317
   11    HA   GLU   3           HA       GLU   3   9.819   7.100  -3.564
   12   1HB   GLU   3          2HB       GLU   3  10.987   4.570  -3.595
   13   2HB   GLU   3          1HB       GLU   3   9.301   4.254  -4.006
   14   1HG   GLU   3          2HG       GLU   3  10.671   6.550  -5.353
   15   2HG   GLU   3          1HG       GLU   3  11.068   4.916  -5.883
   16    H    CYS   4           H        CYS   4   7.561   6.643  -4.491
   17    HA   CYS   4           HA       CYS   4   5.666   5.822  -2.313
   18   1HB   CYS   4          2HB       CYS   4   4.905   7.945  -2.400
   19   2HB   CYS   4          1HB       CYS   4   6.051   8.322  -3.679
   20    H    GLY   5           H        GLY   5   3.665   4.858  -3.082
   21   1HA   GLY   5          2HA       GLY   5   4.018   3.395  -5.631
   22   2HA   GLY   5          1HA       GLY   5   2.861   2.991  -4.362
   23    H    GLY   6           H        GLY   6   0.805   3.371  -4.969
   24   1HA   GLY   6          2HA       GLY   6   0.156   5.895  -6.387
   25   2HA   GLY   6          1HA       GLY   6  -0.339   4.382  -7.147
   26    H    PHE   7           H        PHE   7  -2.598   4.838  -6.884
   27    HA   PHE   7           HA       PHE   7  -3.648   5.287  -4.154
   28   1HB   PHE   7          2HB       PHE   7  -5.511   6.054  -5.268
   29   2HB   PHE   7          1HB       PHE   7  -4.368   6.183  -6.601
   30    HD1  PHE   7           HD1      PHE   7  -4.204   4.264  -8.270
   31    HD2  PHE   7           HD2      PHE   7  -7.351   4.560  -5.360
   32    HE1  PHE   7           HE1      PHE   7  -5.565   2.659  -9.578
   33    HE2  PHE   7           HE2      PHE   7  -8.713   2.953  -6.669
   34    HZ   PHE   7           HZ       PHE   7  -7.820   2.002  -8.777
   35    H    TRP   8           H        TRP   8  -3.038   2.593  -6.255
   36    HA   TRP   8           HA       TRP   8  -4.113   0.728  -4.252
   37   1HB   TRP   8          2HB       TRP   8  -5.931   1.640  -5.965
   38   2HB   TRP   8          1HB       TRP   8  -5.207   0.439  -7.033
   39    HD1  TRP   8           HD1      TRP   8  -5.059  -2.128  -5.963
   40    HE1  TRP   8           HE1      TRP   8  -6.785  -3.348  -4.488
   41    HE3  TRP   8           HE3      TRP   8  -7.739   1.869  -4.259
   42    HZ2  TRP   8           HZ2      TRP   8  -9.012  -2.710  -2.808
   43    HZ3  TRP   8           HZ3      TRP   8  -9.655   1.537  -2.723
   44    HH2  TRP   8           HH2      TRP   8 -10.294  -0.746  -1.996
   45    H    TRP   9           H        TRP   9  -1.585   0.599  -4.596
   46    HA   TRP   9           HA       TRP   9  -0.837  -1.046  -6.965
   47   1HB   TRP   9          2HB       TRP   9   0.624   0.463  -4.790
   48   2HB   TRP   9          1HB       TRP   9   1.480  -0.635  -5.873
   49    HD1  TRP   9           HD1      TRP   9  -1.461   1.353  -7.227
   50    HE1  TRP   9           HE1      TRP   9  -0.600   3.112  -8.892
   51    HE3  TRP   9           HE3      TRP   9   3.571   0.895  -6.477
   52    HZ2  TRP   9           HZ2      TRP   9   1.882   4.194  -9.788
   53    HZ3  TRP   9           HZ3      TRP   9   5.156   2.309  -7.753
   54    HH2  TRP   9           HH2      TRP   9   4.320   3.953  -9.408
   55    H    LYS  10           H        LYS  10   0.795  -2.906  -6.360
   56    HA   LYS  10           HA       LYS  10  -0.539  -4.585  -4.300
   57   1HB   LYS  10          2HB       LYS  10   1.116  -4.947  -6.737
   58   2HB   LYS  10          1HB       LYS  10   1.318  -6.166  -5.477
   59   1HG   LYS  10          2HG       LYS  10  -0.714  -7.067  -5.879
   60   2HG   LYS  10          1HG       LYS  10  -1.490  -5.484  -5.918
   61   1HD   LYS  10          2HD       LYS  10  -1.704  -5.759  -8.147
   62   2HD   LYS  10          1HD       LYS  10   0.044  -5.553  -8.255
   63   1HE   LYS  10          2HE       LYS  10  -1.146  -8.259  -7.614
   64   2HE   LYS  10          1HE       LYS  10  -0.963  -7.713  -9.291
   65   1HZ   LYS  10          1HZ       LYS  10   1.178  -7.877  -7.233
   66   2HZ   LYS  10          2HZ       LYS  10   1.378  -7.174  -8.767
   67   3HZ   LYS  10          3HZ       LYS  10   1.041  -8.832  -8.628
   68    H    CYS  11           H        CYS  11   0.423  -5.091  -2.373
   69    HA   CYS  11           HA       CYS  11   3.354  -4.871  -2.087
   70   1HB   CYS  11          2HB       CYS  11   3.171  -3.273  -0.247
   71   2HB   CYS  11          1HB       CYS  11   2.341  -2.612  -1.656
   72    H    GLY  12           H        GLY  12   4.101  -5.877  -0.037
   73   1HA   GLY  12          2HA       GLY  12   2.264  -8.038   0.838
   74   2HA   GLY  12          1HA       GLY  12   4.001  -7.977   1.140
   75    H    ARG  13           H        ARG  13   4.515  -7.565   3.227
   76    HA   ARG  13           HA       ARG  13   2.502  -6.362   5.046
   77   1HB   ARG  13          2HB       ARG  13   3.913  -8.448   5.491
   78   2HB   ARG  13          1HB       ARG  13   5.305  -7.374   5.623
   79   1HG   ARG  13          2HG       ARG  13   4.754  -7.146   7.801
   80   2HG   ARG  13          1HG       ARG  13   3.400  -6.161   7.247
   81   1HD   ARG  13          2HD       ARG  13   1.872  -7.955   7.392
   82   2HD   ARG  13          1HD       ARG  13   3.163  -9.173   7.371
   83    HE   ARG  13           HE       ARG  13   2.658  -7.319   9.670
   84   1HH1  ARG  13          1HH2      ARG  13   5.313  -8.945   9.002
   85   2HH1  ARG  13          2HH2      ARG  13   5.163 -10.199  10.187
   86   1HH2  ARG  13          1HH1      ARG  13   1.839  -9.490  10.907
   87   2HH2  ARG  13          2HH1      ARG  13   3.194 -10.508  11.268
   88    H    GLY  14           H        GLY  14   3.531  -4.534   3.095
   89   1HA   GLY  14          2HA       GLY  14   4.082  -2.212   3.320
   90   2HA   GLY  14          1HA       GLY  14   4.837  -2.565   4.875
   91    H    LYS  15           H        LYS  15   5.408  -4.231   1.775
   92    HA   LYS  15           HA       LYS  15   8.295  -3.995   2.113
   93   1HB   LYS  15          2HB       LYS  15   6.354  -5.415   0.452
   94   2HB   LYS  15          1HB       LYS  15   7.758  -4.887  -0.473
   95   1HG   LYS  15          2HG       LYS  15   9.233  -6.188   0.750
   96   2HG   LYS  15          1HG       LYS  15   8.218  -6.170   2.193
   97   1HD   LYS  15          2HD       LYS  15   6.772  -7.820   1.353
   98   2HD   LYS  15          1HD       LYS  15   7.270  -7.539  -0.316
   99   1HE   LYS  15          2HE       LYS  15   9.188  -8.823  -0.104
  100   2HE   LYS  15          1HE       LYS  15   9.360  -8.467   1.626
  101   1HZ   LYS  15          1HZ       LYS  15   7.133 -10.069   0.481
  102   2HZ   LYS  15          2HZ       LYS  15   7.494  -9.840   2.126
  103   3HZ   LYS  15          3HZ       LYS  15   8.535 -10.753   1.144
  104    HA   PRO  16           HA       PRO  16   8.083  -1.074  -1.639
  105   1HB   PRO  16          2HB       PRO  16   5.659  -0.557  -2.803
  106   2HB   PRO  16          1HB       PRO  16   6.679  -1.930  -3.278
  107   1HG   PRO  16          2HG       PRO  16   4.273  -1.871  -1.531
  108   2HG   PRO  16          1HG       PRO  16   4.786  -3.090  -2.709
  109   1HD   PRO  16          2HD       PRO  16   5.104  -3.351  -0.001
  110   2HD   PRO  16          1HD       PRO  16   6.130  -4.160  -1.205
  111    HA   PRO  17           HA       PRO  17   6.788   2.165   1.143
  112   1HB   PRO  17          2HB       PRO  17   8.094   4.241  -0.066
  113   2HB   PRO  17          1HB       PRO  17   8.926   3.033   0.931
  114   1HG   PRO  17          2HG       PRO  17   8.757   3.252  -2.033
  115   2HG   PRO  17          1HG       PRO  17  10.119   2.764  -1.013
  116   1HD   PRO  17          2HD       PRO  17   8.529   0.999  -2.375
  117   2HD   PRO  17          1HD       PRO  17   9.412   0.589  -0.888
  118    H    CYS  18           H        CYS  18   4.629   2.720   0.895
  119    HA   CYS  18           HA       CYS  18   3.491   3.538  -1.670
  120   1HB   CYS  18          2HB       CYS  18   2.428   3.561   1.179
  121   2HB   CYS  18          1HB       CYS  18   1.445   3.818  -0.263
  122    H    CYS  19           H        CYS  19   2.014   5.670  -1.485
  123    HA   CYS  19           HA       CYS  19   3.885   7.900  -0.973
  124   1HB   CYS  19          2HB       CYS  19   1.034   8.200  -1.885
  125   2HB   CYS  19          1HB       CYS  19   2.453   9.118  -2.376
  126    H    LYS  20           H        LYS  20   3.409   9.644   0.478
  127    HA   LYS  20           HA       LYS  20   2.398   9.066   3.016
  128   1HB   LYS  20          2HB       LYS  20   3.610  11.172   1.747
  129   2HB   LYS  20          1HB       LYS  20   2.007  11.841   2.065
  130   1HG   LYS  20          2HG       LYS  20   2.416  10.773   4.467
  131   2HG   LYS  20          1HG       LYS  20   4.107  10.945   4.002
  132   1HD   LYS  20          2HD       LYS  20   3.243  13.381   3.270
  133   2HD   LYS  20          1HD       LYS  20   2.064  13.051   4.541
  134   1HE   LYS  20          2HE       LYS  20   3.612  13.398   6.163
  135   2HE   LYS  20          1HE       LYS  20   4.767  12.309   5.373
  136   1HZ   LYS  20          1HZ       LYS  20   4.179  15.085   4.482
  137   2HZ   LYS  20          2HZ       LYS  20   5.343  14.035   3.823
  138   3HZ   LYS  20          3HZ       LYS  20   5.534  14.638   5.399
  139    H    GLY  21           H        GLY  21   0.341   8.513   3.608
  140   1HA   GLY  21          2HA       GLY  21  -1.983   9.455   3.877
  141   2HA   GLY  21          1HA       GLY  21  -1.944   9.786   2.145
  142    H    TYR  22           H        TYR  22  -0.652   7.283   1.400
  143    HA   TYR  22           HA       TYR  22  -3.029   5.512   1.586
  144   1HB   TYR  22          2HB       TYR  22  -0.478   5.105   0.001
  145   2HB   TYR  22          1HB       TYR  22  -2.068   4.426  -0.323
  146    HD1  TYR  22           HD1      TYR  22  -0.091   6.265  -2.047
  147    HD2  TYR  22           HD2      TYR  22  -3.715   6.958   0.153
  148    HE1  TYR  22           HE1      TYR  22  -0.610   8.196  -3.511
  149    HE2  TYR  22           HE2      TYR  22  -4.233   8.890  -1.310
  150    HH   TYR  22           HH       TYR  22  -2.306  10.516  -2.949
  151    H    ALA  23           H        ALA  23  -2.835   3.309   2.286
  152    HA   ALA  23           HA       ALA  23  -0.377   2.680   3.895
  153   1HB   ALA  23          1HB       ALA  23  -1.709   2.367   5.710
  154   2HB   ALA  23          2HB       ALA  23  -2.919   1.493   4.769
  155   3HB   ALA  23          3HB       ALA  23  -2.930   3.257   4.802
  156    H    CYS  24           H        CYS  24   0.309   0.498   3.810
  157    HA   CYS  24           HA       CYS  24  -0.720  -1.071   1.523
  158   1HB   CYS  24          2HB       CYS  24   1.660  -0.811   1.728
  159   2HB   CYS  24          1HB       CYS  24   1.628  -1.287   3.423
  160    H    SER  25           H        SER  25  -1.224  -3.368   1.796
  161    HA   SER  25           HA       SER  25  -2.057  -4.187   4.541
  162   1HB   SER  25          2HB       SER  25  -3.716  -3.945   2.031
  163   2HB   SER  25          1HB       SER  25  -4.210  -4.987   3.361
  164    HG   SER  25           HG       SER  25  -4.136  -2.225   3.169
  165    H    LYS  26           H        LYS  26  -1.015  -6.126   4.872
  166    HA   LYS  26           HA       LYS  26  -0.094  -7.804   2.676
  167   1HB   LYS  26          2HB       LYS  26   1.137  -7.689   4.761
  168   2HB   LYS  26          1HB       LYS  26  -0.293  -8.142   5.686
  169   1HG   LYS  26          2HG       LYS  26   0.199 -10.321   5.423
  170   2HG   LYS  26          1HG       LYS  26   0.155 -10.136   3.671
  171   1HD   LYS  26          2HD       LYS  26   2.573  -8.958   4.410
  172   2HD   LYS  26          1HD       LYS  26   2.458 -10.383   5.443
  173   1HE   LYS  26          2HE       LYS  26   1.947 -10.517   2.455
  174   2HE   LYS  26          1HE       LYS  26   3.553 -10.774   3.160
  175   1HZ   LYS  26          1HZ       LYS  26   1.065 -12.275   3.782
  176   2HZ   LYS  26          2HZ       LYS  26   2.502 -12.419   4.679
  177   3HZ   LYS  26          3HZ       LYS  26   2.465 -12.883   3.046
  178    H    THR  27           H        THR  27  -2.781  -7.909   4.997
  179    HA   THR  27           HA       THR  27  -3.842 -10.480   4.301
  180    HB   THR  27           HB       THR  27  -5.393  -8.025   5.184
  181    HG1  THR  27           HG1      THR  27  -4.178  -8.013   6.874
  182   1HG2  THR  27          1HG2      THR  27  -5.690 -10.978   5.803
  183   2HG2  THR  27          2HG2      THR  27  -6.702 -10.057   4.690
  184   3HG2  THR  27          3HG2      THR  27  -6.728  -9.690   6.415
  185    H    TRP  28           H        TRP  28  -4.432  -7.215   3.038
  186    HA   TRP  28           HA       TRP  28  -6.426  -8.091   1.071
  187   1HB   TRP  28          2HB       TRP  28  -4.858  -5.513   1.452
  188   2HB   TRP  28          1HB       TRP  28  -6.240  -5.697   0.382
  189    HD1  TRP  28           HD1      TRP  28  -7.098  -7.752   3.203
  190    HE1  TRP  28           HE1      TRP  28  -8.547  -6.500   4.922
  191    HE3  TRP  28           HE3      TRP  28  -6.377  -2.939   1.637
  192    HZ2  TRP  28           HZ2      TRP  28  -9.310  -3.824   5.550
  193    HZ3  TRP  28           HZ3      TRP  28  -7.482  -1.060   2.819
  194    HH2  TRP  28           HH2      TRP  28  -8.945  -1.498   4.772
  195    H    GLY  29           H        GLY  29  -2.984  -7.199   1.092
  196   1HA   GLY  29          2HA       GLY  29  -1.337  -8.154  -0.367
  197   2HA   GLY  29          1HA       GLY  29  -2.620  -8.612  -1.485
  198    H    TRP  30           H        TRP  30  -2.902  -5.365  -0.328
  199    HA   TRP  30           HA       TRP  30  -1.268  -4.263  -2.542
  200   1HB   TRP  30          2HB       TRP  30  -3.127  -3.342  -3.723
  201   2HB   TRP  30          1HB       TRP  30  -3.570  -5.009  -3.378
  202    HD1  TRP  30           HD1      TRP  30  -4.100  -1.483  -1.874
  203    HE1  TRP  30           HE1      TRP  30  -6.413  -1.432  -0.759
  204    HE3  TRP  30           HE3      TRP  30  -5.529  -6.335  -2.578
  205    HZ2  TRP  30           HZ2      TRP  30  -8.598  -3.208  -0.236
  206    HZ3  TRP  30           HZ3      TRP  30  -7.732  -7.126  -1.765
  207    HH2  TRP  30           HH2      TRP  30  -9.266  -5.568  -0.596
  208    H    CYS  31           H        CYS  31  -1.674  -1.750  -2.589
  209    HA   CYS  31           HA       CYS  31  -1.895  -0.733   0.220
  210   1HB   CYS  31          2HB       CYS  31   0.440  -0.961  -0.753
  211   2HB   CYS  31          1HB       CYS  31  -0.025   0.218  -1.975
  212    H    ALA  32           H        ALA  32  -3.546   0.719   0.349
  213    HA   ALA  32           HA       ALA  32  -4.059   2.543  -1.967
  214   1HB   ALA  32          1HB       ALA  32  -6.498   2.065  -1.638
  215   2HB   ALA  32          2HB       ALA  32  -6.062   0.837  -0.447
  216   3HB   ALA  32          3HB       ALA  32  -5.588   0.638  -2.134
  217    H    VAL  33           H        VAL  33  -5.927   4.170  -1.089
  218    HA   VAL  33           HA       VAL  33  -4.759   5.693   1.045
  219    HB   VAL  33           HB       VAL  33  -7.612   5.762   0.000
  220   1HG1  VAL  33          1HG1      VAL  33  -5.798   7.869   1.214
  221   2HG1  VAL  33          2HG1      VAL  33  -7.232   7.167   1.966
  222   3HG1  VAL  33          3HG1      VAL  33  -7.395   8.187   0.536
  223   1HG2  VAL  33          1HG2      VAL  33  -6.777   6.359  -2.010
  224   2HG2  VAL  33          2HG2      VAL  33  -5.132   6.177  -1.401
  225   3HG2  VAL  33          3HG2      VAL  33  -5.963   7.724  -1.247
  226    H    GLU  34           H        GLU  34  -5.676   6.102   3.192
  227    HA   GLU  34           HA       GLU  34  -6.296   3.826   4.752
  228   1HB   GLU  34          2HB       GLU  34  -6.603   6.803   5.023
  229   2HB   GLU  34          1HB       GLU  34  -7.280   5.764   6.276
  230   1HG   GLU  34          2HG       GLU  34  -4.410   5.548   5.325
  231   2HG   GLU  34          1HG       GLU  34  -4.900   6.540   6.699
  232    H    ALA  35           H        ALA  35  -8.041   2.545   4.070
  233    HA   ALA  35           HA       ALA  35 -10.748   3.598   4.539
  234   1HB   ALA  35          1HB       ALA  35 -11.466   3.114   2.207
  235   2HB   ALA  35          2HB       ALA  35  -9.800   2.707   1.794
  236   3HB   ALA  35          3HB       ALA  35 -10.215   4.358   2.255
  237    HA   PRO  36           HA       PRO  36 -11.284  -0.661   5.583
  238   1HB   PRO  36          2HB       PRO  36 -14.021  -0.810   5.466
  239   2HB   PRO  36          1HB       PRO  36 -13.148  -0.012   6.790
  240   1HG   PRO  36          2HG       PRO  36 -14.480   1.187   4.408
  241   2HG   PRO  36          1HG       PRO  36 -14.450   1.750   6.088
  242   1HD   PRO  36          2HD       PRO  36 -12.891   2.823   4.144
  243   2HD   PRO  36          1HD       PRO  36 -12.404   2.761   5.852
  Start of MODEL   20
    1   1H    ASP   1          1H        ASP   1  13.239   7.426  -7.409
    2   2H    ASP   1          2H        ASP   1  14.364   8.421  -6.613
    3   3H    ASP   1          3H        ASP   1  14.249   8.452  -8.306
    4    HA   ASP   1           HA       ASP   1  13.171  10.404  -7.304
    5   1HB   ASP   1          2HB       ASP   1  12.112   8.392  -9.118
    6   2HB   ASP   1          1HB       ASP   1  10.802   9.290  -8.354
    7    H    GLY   2           H        GLY   2  13.356   9.584  -4.866
    8   1HA   GLY   2          2HA       GLY   2  12.211   9.527  -2.812
    9   2HA   GLY   2          1HA       GLY   2  10.710   9.778  -3.705
   10    H    GLU   3           H        GLU   3   9.685   8.160  -2.337
   11    HA   GLU   3           HA       GLU   3   9.958   5.438  -3.423
   12   1HB   GLU   3          2HB       GLU   3  11.363   6.296  -1.081
   13   2HB   GLU   3          1HB       GLU   3  10.108   5.166  -0.573
   14   1HG   GLU   3          2HG       GLU   3  10.936   3.441  -1.974
   15   2HG   GLU   3          1HG       GLU   3  11.920   4.564  -2.913
   16    H    CYS   4           H        CYS   4   7.713   5.942  -4.003
   17    HA   CYS   4           HA       CYS   4   5.827   5.419  -1.759
   18   1HB   CYS   4          2HB       CYS   4   5.372   7.641  -1.734
   19   2HB   CYS   4          1HB       CYS   4   6.202   7.913  -3.261
   20    H    GLY   5           H        GLY   5   3.806   4.529  -2.495
   21   1HA   GLY   5          2HA       GLY   5   3.996   3.213  -5.142
   22   2HA   GLY   5          1HA       GLY   5   2.901   2.749  -3.840
   23    H    GLY   6           H        GLY   6   0.849   3.068  -4.551
   24   1HA   GLY   6          2HA       GLY   6   0.101   5.768  -5.514
   25   2HA   GLY   6          1HA       GLY   6  -0.273   4.409  -6.572
   26    H    PHE   7           H        PHE   7  -2.570   4.826  -6.304
   27    HA   PHE   7           HA       PHE   7  -3.800   4.733  -3.648
   28   1HB   PHE   7          2HB       PHE   7  -4.703   6.065  -5.510
   29   2HB   PHE   7          1HB       PHE   7  -4.923   4.600  -6.469
   30    HD1  PHE   7           HD1      PHE   7  -6.748   3.072  -6.035
   31    HD2  PHE   7           HD2      PHE   7  -6.094   6.472  -3.489
   32    HE1  PHE   7           HE1      PHE   7  -8.967   2.715  -4.988
   33    HE2  PHE   7           HE2      PHE   7  -8.315   6.113  -2.442
   34    HZ   PHE   7           HZ       PHE   7  -9.750   4.233  -3.190
   35    H    TRP   8           H        TRP   8  -3.165   2.416  -6.244
   36    HA   TRP   8           HA       TRP   8  -4.023   0.217  -4.441
   37   1HB   TRP   8          2HB       TRP   8  -6.035   0.838  -5.666
   38   2HB   TRP   8          1HB       TRP   8  -5.160   0.809  -7.193
   39    HD1  TRP   8           HD1      TRP   8  -5.130  -1.840  -4.372
   40    HE1  TRP   8           HE1      TRP   8  -5.837  -4.102  -5.387
   41    HE3  TRP   8           HE3      TRP   8  -6.216  -0.369  -9.143
   42    HZ2  TRP   8           HZ2      TRP   8  -6.741  -5.149  -7.890
   43    HZ3  TRP   8           HZ3      TRP   8  -7.001  -2.017 -10.818
   44    HH2  TRP   8           HH2      TRP   8  -7.265  -4.403 -10.199
   45    H    TRP   9           H        TRP   9  -1.566   0.123  -4.574
   46    HA   TRP   9           HA       TRP   9  -0.559  -1.116  -7.111
   47   1HB   TRP   9          2HB       TRP   9   0.700   0.268  -4.725
   48   2HB   TRP   9          1HB       TRP   9   1.672  -0.632  -5.885
   49    HD1  TRP   9           HD1      TRP   9  -1.368   1.388  -7.026
   50    HE1  TRP   9           HE1      TRP   9  -0.561   3.359  -8.468
   51    HE3  TRP   9           HE3      TRP   9   3.680   0.964  -6.369
   52    HZ2  TRP   9           HZ2      TRP   9   1.881   4.601  -9.229
   53    HZ3  TRP   9           HZ3      TRP   9   5.220   2.560  -7.471
   54    HH2  TRP   9           HH2      TRP   9   4.331   4.375  -8.905
   55    H    LYS  10           H        LYS  10   1.295  -2.854  -6.469
   56    HA   LYS  10           HA       LYS  10  -0.081  -4.863  -4.775
   57   1HB   LYS  10          2HB       LYS  10   1.987  -4.788  -6.901
   58   2HB   LYS  10          1HB       LYS  10   2.175  -6.062  -5.697
   59   1HG   LYS  10          2HG       LYS  10   0.646  -7.239  -6.864
   60   2HG   LYS  10          1HG       LYS  10  -0.555  -6.092  -6.272
   61   1HD   LYS  10          2HD       LYS  10   1.065  -5.279  -8.647
   62   2HD   LYS  10          1HD       LYS  10  -0.173  -6.511  -8.893
   63   1HE   LYS  10          2HE       LYS  10  -1.829  -4.964  -8.779
   64   2HE   LYS  10          1HE       LYS  10  -1.186  -4.309  -7.261
   65   1HZ   LYS  10          1HZ       LYS  10   0.532  -3.159  -8.546
   66   2HZ   LYS  10          2HZ       LYS  10  -1.022  -2.662  -9.017
   67   3HZ   LYS  10          3HZ       LYS  10  -0.143  -3.742  -9.990
   68    H    CYS  11           H        CYS  11   0.613  -5.434  -2.752
   69    HA   CYS  11           HA       CYS  11   3.382  -4.853  -1.908
   70   1HB   CYS  11          2HB       CYS  11   2.147  -2.783  -1.477
   71   2HB   CYS  11          1HB       CYS  11   0.896  -3.679  -0.618
   72    H    GLY  12           H        GLY  12   3.842  -5.877   0.234
   73   1HA   GLY  12          2HA       GLY  12   2.128  -8.281   0.665
   74   2HA   GLY  12          1HA       GLY  12   3.823  -8.146   1.140
   75    H    ARG  13           H        ARG  13   4.091  -7.881   3.304
   76    HA   ARG  13           HA       ARG  13   1.836  -6.881   4.957
   77   1HB   ARG  13          2HB       ARG  13   3.753  -8.850   5.219
   78   2HB   ARG  13          1HB       ARG  13   4.424  -7.557   6.212
   79   1HG   ARG  13          2HG       ARG  13   1.516  -8.195   6.508
   80   2HG   ARG  13          1HG       ARG  13   2.687  -9.301   7.223
   81   1HD   ARG  13          2HD       ARG  13   3.766  -7.156   8.244
   82   2HD   ARG  13          1HD       ARG  13   2.207  -6.394   7.876
   83    HE   ARG  13           HE       ARG  13   1.127  -8.198   9.237
   84   1HH1  ARG  13          1HH1      ARG  13   4.091  -9.481   9.162
   85   2HH1  ARG  13          2HH1      ARG  13   4.419  -9.432  10.861
   86   1HH2  ARG  13          1HH2      ARG  13   1.729  -7.359  11.593
   87   2HH2  ARG  13          2HH2      ARG  13   3.080  -8.229  12.240
   88    H    GLY  14           H        GLY  14   3.370  -5.007   3.167
   89   1HA   GLY  14          2HA       GLY  14   3.679  -2.641   3.651
   90   2HA   GLY  14          1HA       GLY  14   4.209  -3.076   5.274
   91    H    LYS  15           H        LYS  15   5.317  -4.604   2.257
   92    HA   LYS  15           HA       LYS  15   8.102  -4.227   3.027
   93   1HB   LYS  15          2HB       LYS  15   6.512  -5.625   0.971
   94   2HB   LYS  15          1HB       LYS  15   8.118  -5.127   0.439
   95   1HG   LYS  15          2HG       LYS  15   9.163  -6.625   1.790
   96   2HG   LYS  15          1HG       LYS  15   8.061  -6.321   3.133
   97   1HD   LYS  15          2HD       LYS  15   7.089  -8.302   2.671
   98   2HD   LYS  15          1HD       LYS  15   6.483  -7.577   1.182
   99   1HE   LYS  15          2HE       LYS  15   7.679  -9.523   0.470
  100   2HE   LYS  15          1HE       LYS  15   8.797  -8.180   0.172
  101   1HZ   LYS  15          1HZ       LYS  15   8.764  -9.497   2.811
  102   2HZ   LYS  15          2HZ       LYS  15  10.029  -8.660   2.043
  103   3HZ   LYS  15          3HZ       LYS  15   9.605 -10.223   1.529
  104    HA   PRO  16           HA       PRO  16   8.328  -1.286  -0.720
  105   1HB   PRO  16          2HB       PRO  16   6.039  -0.760  -2.133
  106   2HB   PRO  16          1HB       PRO  16   7.131  -2.103  -2.527
  107   1HG   PRO  16          2HG       PRO  16   4.557  -2.133  -1.028
  108   2HG   PRO  16          1HG       PRO  16   5.191  -3.295  -2.205
  109   1HD   PRO  16          2HD       PRO  16   5.262  -3.715   0.484
  110   2HD   PRO  16          1HD       PRO  16   6.463  -4.388  -0.638
  111    HA   PRO  17           HA       PRO  17   6.781   1.931   1.933
  112   1HB   PRO  17          2HB       PRO  17   8.113   4.029   0.785
  113   2HB   PRO  17          1HB       PRO  17   8.899   2.851   1.854
  114   1HG   PRO  17          2HG       PRO  17   8.927   3.025  -1.115
  115   2HG   PRO  17          1HG       PRO  17  10.228   2.584   0.002
  116   1HD   PRO  17          2HD       PRO  17   8.792   0.764  -1.436
  117   2HD   PRO  17          1HD       PRO  17   9.555   0.401   0.128
  118    H    CYS  18           H        CYS  18   4.573   2.143   1.376
  119    HA   CYS  18           HA       CYS  18   3.663   3.165  -1.190
  120   1HB   CYS  18          2HB       CYS  18   2.364   2.769   1.529
  121   2HB   CYS  18          1HB       CYS  18   1.469   3.256   0.091
  122    H    CYS  19           H        CYS  19   2.276   5.271  -1.228
  123    HA   CYS  19           HA       CYS  19   3.884   7.513  -0.462
  124   1HB   CYS  19          2HB       CYS  19   1.406   6.945  -1.834
  125   2HB   CYS  19          1HB       CYS  19   1.193   8.345  -0.782
  126    H    LYS  20           H        LYS  20   3.638   9.009   1.255
  127    HA   LYS  20           HA       LYS  20   3.028   8.094   3.821
  128   1HB   LYS  20          2HB       LYS  20   3.930  10.427   2.583
  129   2HB   LYS  20          1HB       LYS  20   2.485  10.941   3.455
  130   1HG   LYS  20          2HG       LYS  20   3.357  10.305   5.535
  131   2HG   LYS  20          1HG       LYS  20   4.522   9.194   4.816
  132   1HD   LYS  20          2HD       LYS  20   6.077  10.817   4.596
  133   2HD   LYS  20          1HD       LYS  20   4.911  11.937   3.891
  134   1HE   LYS  20          2HE       LYS  20   4.782  11.364   6.843
  135   2HE   LYS  20          1HE       LYS  20   5.981  12.517   6.227
  136   1HZ   LYS  20          1HZ       LYS  20   3.884  13.632   6.702
  137   2HZ   LYS  20          2HZ       LYS  20   3.061  12.576   5.656
  138   3HZ   LYS  20          3HZ       LYS  20   4.210  13.664   5.036
  139    H    GLY  21           H        GLY  21   1.098   7.455   4.674
  140   1HA   GLY  21          2HA       GLY  21  -1.157   8.187   5.421
  141   2HA   GLY  21          1HA       GLY  21  -1.380   8.907   3.827
  142    H    TYR  22           H        TYR  22   0.001   6.430   2.641
  143    HA   TYR  22           HA       TYR  22  -2.464   4.823   2.357
  144   1HB   TYR  22          2HB       TYR  22   0.291   4.737   1.075
  145   2HB   TYR  22          1HB       TYR  22  -1.049   3.700   0.602
  146    HD1  TYR  22           HD1      TYR  22  -2.638   6.636   1.521
  147    HD2  TYR  22           HD2      TYR  22  -0.067   5.108  -1.568
  148    HE1  TYR  22           HE1      TYR  22  -3.446   8.393  -0.026
  149    HE2  TYR  22           HE2      TYR  22  -0.881   6.866  -3.111
  150    HH   TYR  22           HH       TYR  22  -3.433   8.369  -2.997
  151    H    ALA  23           H        ALA  23  -2.409   2.481   2.654
  152    HA   ALA  23           HA       ALA  23  -0.254   1.486   4.485
  153   1HB   ALA  23          1HB       ALA  23  -1.858   1.625   6.094
  154   2HB   ALA  23          2HB       ALA  23  -2.596   0.235   5.294
  155   3HB   ALA  23          3HB       ALA  23  -3.137   1.868   4.906
  156    H    CYS  24           H        CYS  24   0.138  -0.791   4.292
  157    HA   CYS  24           HA       CYS  24  -0.626  -1.927   1.671
  158   1HB   CYS  24          2HB       CYS  24   1.352  -2.458   3.857
  159   2HB   CYS  24          1HB       CYS  24   0.979  -3.757   2.725
  160    H    SER  25           H        SER  25  -1.275  -4.286   1.621
  161    HA   SER  25           HA       SER  25  -2.965  -5.053   3.974
  162   1HB   SER  25          2HB       SER  25  -3.695  -5.251   1.037
  163   2HB   SER  25          1HB       SER  25  -4.738  -5.630   2.406
  164    HG   SER  25           HG       SER  25  -4.276  -3.266   1.231
  165    H    LYS  26           H        LYS  26  -1.705  -6.789   4.676
  166    HA   LYS  26           HA       LYS  26  -0.289  -8.630   2.994
  167   1HB   LYS  26          2HB       LYS  26   0.080  -8.147   5.423
  168   2HB   LYS  26          1HB       LYS  26  -1.424  -8.991   5.787
  169   1HG   LYS  26          2HG       LYS  26  -0.448 -11.013   4.601
  170   2HG   LYS  26          1HG       LYS  26   1.092 -10.154   4.573
  171   1HD   LYS  26          2HD       LYS  26   1.478 -10.930   6.651
  172   2HD   LYS  26          1HD       LYS  26   0.161  -9.902   7.214
  173   1HE   LYS  26          2HE       LYS  26  -1.194 -12.071   6.138
  174   2HE   LYS  26          1HE       LYS  26   0.225 -12.822   6.896
  175   1HZ   LYS  26          1HZ       LYS  26  -0.217 -11.444   8.884
  176   2HZ   LYS  26          2HZ       LYS  26  -1.473 -12.540   8.553
  177   3HZ   LYS  26          3HZ       LYS  26  -1.654 -10.896   8.165
  178    H    THR  27           H        THR  27  -3.615  -8.595   4.214
  179    HA   THR  27           HA       THR  27  -4.190 -11.353   3.378
  180    HB   THR  27           HB       THR  27  -6.020  -9.083   4.220
  181    HG1  THR  27           HG1      THR  27  -5.430  -9.503   6.197
  182   1HG2  THR  27          1HG2      THR  27  -6.377 -11.979   3.675
  183   2HG2  THR  27          2HG2      THR  27  -7.539 -10.657   3.559
  184   3HG2  THR  27          3HG2      THR  27  -7.163 -11.364   5.130
  185    H    TRP  28           H        TRP  28  -4.808  -8.083   2.138
  186    HA   TRP  28           HA       TRP  28  -6.500  -9.008  -0.067
  187   1HB   TRP  28          2HB       TRP  28  -5.108  -6.365   0.490
  188   2HB   TRP  28          1HB       TRP  28  -6.384  -6.611  -0.694
  189    HD1  TRP  28           HD1      TRP  28  -7.559  -8.750   1.851
  190    HE1  TRP  28           HE1      TRP  28  -9.141  -7.586   3.513
  191    HE3  TRP  28           HE3      TRP  28  -6.503  -3.859   0.808
  192    HZ2  TRP  28           HZ2      TRP  28  -9.876  -4.942   4.294
  193    HZ3  TRP  28           HZ3      TRP  28  -7.664  -2.041   2.027
  194    HH2  TRP  28           HH2      TRP  28  -9.348  -2.577   3.768
  195    H    GLY  29           H        GLY  29  -3.137  -7.851   0.276
  196   1HA   GLY  29          2HA       GLY  29  -1.331  -8.807  -1.046
  197   2HA   GLY  29          1HA       GLY  29  -2.499  -9.195  -2.305
  198    H    TRP  30           H        TRP  30  -2.819  -6.022  -0.940
  199    HA   TRP  30           HA       TRP  30  -1.048  -4.795  -2.969
  200   1HB   TRP  30          2HB       TRP  30  -2.835  -3.721  -4.149
  201   2HB   TRP  30          1HB       TRP  30  -3.280  -5.414  -4.010
  202    HD1  TRP  30           HD1      TRP  30  -3.896  -2.119  -2.071
  203    HE1  TRP  30           HE1      TRP  30  -6.300  -2.162  -1.179
  204    HE3  TRP  30           HE3      TRP  30  -5.335  -6.763  -3.642
  205    HZ2  TRP  30           HZ2      TRP  30  -8.559  -3.925  -1.137
  206    HZ3  TRP  30           HZ3      TRP  30  -7.625  -7.592  -3.167
  207    HH2  TRP  30           HH2      TRP  30  -9.234  -6.179  -1.916
  208    H    CYS  31           H        CYS  31  -1.457  -2.248  -2.819
  209    HA   CYS  31           HA       CYS  31  -1.675  -1.524   0.092
  210   1HB   CYS  31          2HB       CYS  31   0.626  -1.514  -1.004
  211   2HB   CYS  31          1HB       CYS  31   0.043  -0.215  -2.045
  212    H    ALA  32           H        ALA  32  -3.072   0.175   0.539
  213    HA   ALA  32           HA       ALA  32  -3.941   1.978  -1.667
  214   1HB   ALA  32          1HB       ALA  32  -5.648   0.093  -0.032
  215   2HB   ALA  32          2HB       ALA  32  -5.561   0.234  -1.787
  216   3HB   ALA  32          3HB       ALA  32  -6.339   1.501  -0.838
  217    H    VAL  33           H        VAL  33  -5.644   3.614  -0.555
  218    HA   VAL  33           HA       VAL  33  -4.193   4.929   1.609
  219    HB   VAL  33           HB       VAL  33  -6.979   5.511   0.552
  220   1HG1  VAL  33          1HG1      VAL  33  -6.700   7.060   2.221
  221   2HG1  VAL  33          2HG1      VAL  33  -5.778   7.901   0.975
  222   3HG1  VAL  33          3HG1      VAL  33  -4.943   6.932   2.188
  223   1HG2  VAL  33          1HG2      VAL  33  -5.886   5.605  -1.468
  224   2HG2  VAL  33          2HG2      VAL  33  -4.302   5.794  -0.718
  225   3HG2  VAL  33          3HG2      VAL  33  -5.381   7.181  -0.859
  226    H    GLU  34           H        GLU  34  -4.981   5.259   3.772
  227    HA   GLU  34           HA       GLU  34  -6.299   2.993   4.984
  228   1HB   GLU  34          2HB       GLU  34  -5.530   5.772   5.908
  229   2HB   GLU  34          1HB       GLU  34  -6.218   4.568   6.998
  230   1HG   GLU  34          2HG       GLU  34  -4.368   2.996   6.285
  231   2HG   GLU  34          1HG       GLU  34  -3.633   4.351   5.432
  232    H    ALA  35           H        ALA  35  -7.463   6.078   3.762
  233    HA   ALA  35           HA       ALA  35  -9.963   6.217   5.162
  234   1HB   ALA  35          1HB       ALA  35  -9.044   7.213   2.446
  235   2HB   ALA  35          2HB       ALA  35  -8.972   8.098   3.969
  236   3HB   ALA  35          3HB       ALA  35 -10.533   7.733   3.234
  237    HA   PRO  36           HA       PRO  36 -12.274   3.041   3.156
  238   1HB   PRO  36          2HB       PRO  36 -14.803   4.049   3.445
  239   2HB   PRO  36          1HB       PRO  36 -13.883   3.341   4.785
  240   1HG   PRO  36          2HG       PRO  36 -14.321   6.204   4.094
  241   2HG   PRO  36          1HG       PRO  36 -14.274   5.418   5.681
  242   1HD   PRO  36          2HD       PRO  36 -12.195   6.850   4.655
  243   2HD   PRO  36          1HD       PRO  36 -11.991   5.512   5.808