*HEADER    TOXIN                                   14-OCT-14   2MVT              
*TITLE     SOLUTION STRUCTURE OF SCOLOPTOXIN SSD609 FROM SCOLOPENDRA MUTILANS    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SCOLOPTOXIN SSD609;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SCOLOPENDRA MUTILANS;                           
*SOURCE   3 ORGANISM_TAXID: 251420;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PET28                                      
*KEYWDS    TOXIN                                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    F.WU, P.SUN, C.WANG, Y.HE, L.ZHANG, C.TIAN                            
*REVDAT   1   23-SEP-15 2MVT    0                                                


! D2
assign (resid 2 and name hn)(resid 1 and name ha) 1.8 0.0 2.2
assign (resid 2 and name hn)(resid 1 and name hb#) 1.8 0.0 2.2
assign (resid 2 and name hn)(resid 2 and name ha) 1.8 0.0 1.2
assign (resid 2 and name hn)(resid 2 and name hb1) 1.8 0.0 2.2
assign (resid 2 and name hn)(resid 2 and name hb2) 1.8 0.0 2.2
assign (resid 2 and name hn)(resid 3 and name hn) 1.8 0.0 2.2
assign (resid 2 and name hn)(resid 7 and name ha) 1.8 0.0 4.2
assign (resid 2 and name ha)(resid 5 and name ha) 1.8 0.0 4.2

! D3
assign (resid 3 and name hn)(resid 2 and name ha) 1.8 0.0 2.2
assign (resid 3 and name hn)(resid 2 and name hb1) 1.8 0.0 3.2
assign (resid 3 and name hn)(resid 2 and name hb2) 1.8 0.0 3.2
assign (resid 3 and name hn)(resid 3 and name ha) 1.8 0.0 1.2
assign (resid 3 and name hn)(resid 3 and name hb1) 1.8 0.0 2.2
assign (resid 3 and name hn)(resid 3 and name hb2) 1.8 0.0 2.2

! K4
assign (resid 4 and name hn)(resid 2 and name ha) 1.8 0.0 3.2
assign (resid 4 and name hn)(resid 3 and name ha) 1.8 0.0 2.2
assign (resid 4 and name hn)(resid 3 and name hb1) 1.8 0.0 3.2
assign (resid 4 and name hn)(resid 3 and name hb2) 1.8 0.0 3.2
assign (resid 4 and name hn)(resid 4 and name ha) 1.8 0.0 1.2
assign (resid 4 and name hn)(resid 4 and name hb1) 1.8 0.0 2.2
assign (resid 4 and name hn)(resid 4 and name hb2) 1.8 0.0 2.2

! C5
assign (resid 5 and name hn)(resid 3 and name hn) 1.8 0.0 4.2
assign (resid 5 and name hn)(resid 4 and name ha) 1.8 0.0 2.2
assign (resid 5 and name hn)(resid 4 and name hb1) 1.8 0.0 3.2
assign (resid 5 and name hn)(resid 4 and name hb2) 1.8 0.0 3.2
assign (resid 5 and name hn)(resid 5 and name ha) 1.8 0.0 1.2
assign (resid 5 and name hn)(resid 5 and name hb1) 1.8 0.0 2.2
assign (resid 5 and name hn)(resid 5 and name hb2) 1.8 0.0 2.2
assign (resid 5 and name hn)(resid 32 and name hb1) 1.8 0.0 4.2
assign (resid 5 and name hn)(resid 32 and name hb2) 1.8 0.0 4.2
assign (resid 5 and name hn)(resid 6 and name hn) 1.8 0.0 1.7
assign (resid 5 and name hn)(resid 7 and name hn) 1.8 0.0 3.2

! E6
assign (resid 6 and name hn)(resid 2 and name ha) 1.8 0.0 3.2
assign (resid 6 and name hn)(resid 2 and name hb#) 1.8 0.0 4.2
assign (resid 6 and name hn)(resid 3 and name ha) 1.8 0.0 4.2
assign (resid 6 and name hn)(resid 3 and name hb1) 1.8 0.0 4.2
assign (resid 6 and name hn)(resid 3 and name hb2) 1.8 0.0 4.2
assign (resid 6 and name hn)(resid 6 and name ha) 1.8 0.0 1.2
assign (resid 6 and name hn)(resid 6 and name hb1) 1.8 0.0 2.2
assign (resid 6 and name hn)(resid 6 and name hb2) 1.8 0.0 2.2
assign (resid 6 and name hn)(resid 7 and name hn) 1.8 0.0 1.2
assign (resid 6 and name hn)(resid 7 and name hb#) 1.8 0.0 4.2
assign (resid 6 and name hn)(resid 8 and name hn) 1.8 0.0 3.2

! D7
assign (resid 7 and name hn)(resid 3 and name ha) 1.8 0.0 4.2
assign (resid 7 and name hn)(resid 3 and name hb#) 1.8 0.0 4.2
assign (resid 7 and name hn)(resid 4 and name ha) 1.8 0.0 2.7
assign (resid 7 and name hn)(resid 5 and name ha) 1.8 0.0 3.2
assign (resid 7 and name hn)(resid 5 and name hb1) 1.8 0.0 4.2
assign (resid 7 and name hn)(resid 5 and name hb2) 1.8 0.0 4.2
assign (resid 7 and name hn)(resid 6 and name ha) 1.8 0.0 2.2
assign (resid 7 and name hn)(resid 6 and name hb1) 1.8 0.0 3.2
assign (resid 7 and name hn)(resid 6 and name hb2) 1.8 0.0 3.2
assign (resid 7 and name hn)(resid 7 and name ha) 1.8 0.0 1.2
assign (resid 7 and name hn)(resid 7 and name hb1) 1.8 0.0 2.2
assign (resid 7 and name hn)(resid 7 and name hb2) 1.8 0.0 2.2
assign (resid 7 and name hn)(resid 8 and name hn) 1.8 0.0 1.2
assign (resid 7 and name hn)(resid 8 and name hb#) 1.8 0.0 4.2

! S8
assign (resid 8 and name hn)(resid 4 and name ha) 1.8 0.0 4.2
assign (resid 8 and name hn)(resid 5 and name ha) 1.8 0.0 2.2
assign (resid 8 and name hn)(resid 6 and name ha) 1.8 0.0 3.2
assign (resid 8 and name hn)(resid 7 and name ha) 1.8 0.0 2.2
assign (resid 8 and name hn)(resid 7 and name hb1) 1.8 0.0 3.2
assign (resid 8 and name hn)(resid 7 and name hb2) 1.8 0.0 3.2
assign (resid 8 and name hn)(resid 8 and name ha) 1.8 0.0 1.2
assign (resid 8 and name hn)(resid 8 and name hb1) 1.8 0.0 2.2
assign (resid 8 and name hn)(resid 8 and name hb2) 1.8 0.0 2.2
assign (resid 8 and name hn)(resid 12 and name hn) 1.8 0.0 3.7

! L9
assign (resid 9 and name hn)(resid 7 and name ha) 1.8 0.0 4.2
assign (resid 9 and name hn)(resid 8 and name hn) 1.8 0.0 3.2
assign (resid 9 and name hn)(resid 8 and name ha) 1.8 0.0 1.2
assign (resid 9 and name hn)(resid 8 and name hb1) 1.8 0.0 3.2
assign (resid 9 and name hn)(resid 8 and name hb2) 1.8 0.0 3.2
assign (resid 9 and name hn)(resid 9 and name ha) 1.8 0.0 1.2
assign (resid 9 and name hn)(resid 9 and name hb1) 1.8 0.0 2.2
assign (resid 9 and name hn)(resid 9 and name hb2) 1.8 0.0 2.2
assign (resid 9 and name hn)(resid 9 and name hd1#) 1.8 0.0 3.7
assign (resid 9 and name hn)(resid 9 and name hd1#) 1.8 0.0 3.7
assign (resid 9 and name hn)(resid 10 and name hn) 1.8 0.0 1.2
assign (resid 9 and name hn)(resid 10 and name ha) 1.8 0.0 4.2
assign (resid 9 and name hn)(resid 12 and name hn) 1.8 0.0 4.2
assign (resid 9 and name ha)(resid 12 and name hb1) 1.8 0.0 2.2
assign (resid 9 and name ha)(resid 12 and name hb2) 1.8 0.0 2.2

! R10
assign (resid 10 and name hn)(resid 8 and name ha) 1.8 0.0 3.2
assign (resid 10 and name hn)(resid 9 and name ha) 1.8 0.0 2.2
assign (resid 10 and name hn)(resid 9 and name hb1) 1.8 0.0 2.2
assign (resid 10 and name hn)(resid 9 and name hb2) 1.8 0.0 2.2
assign (resid 10 and name hn)(resid 9 and name hd*) 1.8 0.0 4.2
assign (resid 10 and name hn)(resid 10 and name ha) 1.8 0.0 1.2
assign (resid 10 and name hn)(resid 10 and name hb1) 1.8 0.0 2.2
assign (resid 10 and name hn)(resid 10 and name hb2) 1.8 0.0 2.2
assign (resid 10 and name hn)(resid 11 and name hn) 1.8 0.0 1.2
assign (resid 10 and name hn)(resid 11 and name hb1) 1.8 0.0 4.2
assign (resid 10 and name hn)(resid 11 and name hb2) 1.8 0.0 4.2
assign (resid 10 and name hn)(resid 13 and name hn) 1.8 0.0 4.2
assign (resid 10 and name ha)(resid 13 and name hb) 1.8 0.0 2.7

! R11
assign (resid 11 and name hn)(resid 5 and name ha) 1.8 0.0 4.2
assign (resid 11 and name hn)(resid 8 and name ha) 1.8 0.0 4.2
assign (resid 11 and name hn)(resid 8 and name hb#) 1.8 0.0 3.2
assign (resid 11 and name hn)(resid 8 and name hn) 1.8 0.0 4.2
assign (resid 11 and name hn)(resid 9 and name hn) 1.8 0.0 3.2
assign (resid 11 and name hn)(resid 9 and name ha) 1.8 0.0 3.2
assign (resid 11 and name hn)(resid 9 and name hb#) 1.8 0.0 4.2
assign (resid 11 and name hn)(resid 10 and name ha) 1.8 0.0 2.2
assign (resid 11 and name hn)(resid 10 and name hb1) 1.8 0.0 3.2
assign (resid 11 and name hn)(resid 10 and name hb2) 1.8 0.0 3.2
assign (resid 11 and name hn)(resid 11 and name ha) 1.8 0.0 1.2
assign (resid 11 and name hn)(resid 11 and name hb1) 1.8 0.0 2.2
assign (resid 11 and name hn)(resid 11 and name hb2) 1.8 0.0 2.2
assign (resid 11 and name hn)(resid 12 and name ha) 1.8 0.0 4.2
assign (resid 11 and name hn)(resid 12 and name hb1) 1.8 0.0 4.2
assign (resid 11 and name hn)(resid 12 and name hb2) 1.8 0.0 4.2
assign (resid 11 and name hn)(resid 13 and name hn) 1.8 0.0 3.2
assign (resid 11 and name ha)(resid 14 and name hb#) 1.8 0.0 2.2

! E12
assign (resid 12 and name hn)(resid 5 and name ha) 1.8 0.0 3.2
assign (resid 12 and name hn)(resid 9 and name ha) 1.8 0.0 2.2
assign (resid 12 and name hn)(resid 9 and name hb#) 1.8 0.0 4.2
assign (resid 12 and name hn)(resid 10 and name ha) 1.8 0.0 3.2
assign (resid 12 and name hn)(resid 11 and name ha) 1.8 0.0 2.2
assign (resid 12 and name hn)(resid 11 and name hb1) 1.8 0.0 3.2
assign (resid 12 and name hn)(resid 11 and name hb1) 1.8 0.0 3.2
assign (resid 12 and name hn)(resid 11 and name hn) 1.8 0.0 1.2
assign (resid 12 and name hn)(resid 12 and name ha) 1.8 0.0 1.2
assign (resid 12 and name hn)(resid 12 and name hb1) 1.8 0.0 2.2
assign (resid 12 and name hn)(resid 12 and name hb2) 1.8 0.0 2.2
assign (resid 12 and name hn)(resid 12 and name hg1) 1.8 0.0 3.2
assign (resid 12 and name hn)(resid 12 and name hg2) 1.8 0.0 3.2
assign (resid 12 and name hn)(resid 13 and name hn) 1.8 0.0 1.2
assign (resid 12 and name hn)(resid 13 and name ha) 1.8 0.0 4.2
assign (resid 12 and name hn)(resid 13 and name hg1#) 1.8 0.0 4.2
assign (resid 12 and name hn)(resid 13 and name hg2#) 1.8 0.0 4.2
assign (resid 12 and name hn)(resid 13 and name hd1#) 1.8 0.0 4.2
assign (resid 12 and name ha)(resid 15 and name hb1) 1.8 0.0 2.7
assign (resid 12 and name ha)(resid 15 and name hb2) 1.8 0.0 2.7

! I13
assign (resid 13 and name hn)(resid 9 and name ha) 1.8 0.0 3.2
assign (resid 13 and name hn)(resid 10 and name ha) 1.8 0.0 2.2
assign (resid 13 and name hn)(resid 11 and name ha) 1.8 0.0 3.2
assign (resid 13 and name hn)(resid 12 and name ha) 1.8 0.0 2.2
assign (resid 13 and name hn)(resid 12 and name hb1) 1.8 0.0 3.2
assign (resid 13 and name hn)(resid 12 and name hb2) 1.8 0.0 3.2
assign (resid 13 and name hn)(resid 12 and name hg1) 1.8 0.0 4.2
assign (resid 13 and name hn)(resid 12 and name hg2) 1.8 0.0 4.2
assign (resid 13 and name hn)(resid 13 and name ha) 1.8 0.0 1.2
assign (resid 13 and name hn)(resid 13 and name hb) 1.8 0.0 1.2
assign (resid 13 and name hn)(resid 13 and name hg1#) 1.8 0.0 2.2
assign (resid 13 and name hn)(resid 13 and name hg2#) 1.8 0.0 3.2
assign (resid 13 and name hn)(resid 13 and name hd1#) 1.8 0.0 3.2
assign (resid 13 and name hn)(resid 14 and name hn) 1.8 0.0 1.2
assign (resid 13 and name ha)(resid 16 and name hb) 1.8 0.0 2.2
assign (resid 13 and name ha)(resid 16 and name hg2#) 1.8 0.0 4.2

! A14
assign (resid 14 and name hn)(resid 10 and name ha) 1.8 0.0 3.2
assign (resid 14 and name hn)(resid 10 and name hb#) 1.8 0.0 4.2
assign (resid 14 and name hn)(resid 11 and name ha) 1.8 0.0 2.2
assign (resid 14 and name hn)(resid 12 and name ha) 1.8 0.0 3.2
assign (resid 14 and name hn)(resid 12 and name hb1) 1.8 0.0 4.2
assign (resid 14 and name hn)(resid 12 and name hb2) 1.8 0.0 4.2
assign (resid 14 and name hn)(resid 12 and name hn) 1.8 0.0 3.2
assign (resid 14 and name hn)(resid 13 and name ha) 1.8 0.0 2.2
assign (resid 14 and name hn)(resid 13 and name hb) 1.8 0.0 1.2
assign (resid 14 and name hn)(resid 13 and name hg1#) 1.8 0.0 3.2
assign (resid 14 and name hn)(resid 13 and name hg2#) 1.8 0.0 3.2
assign (resid 14 and name hn)(resid 13 and name hd1#) 1.8 0.0 4.2
assign (resid 14 and name hn)(resid 14 and name ha) 1.8 0.0 1.2
assign (resid 14 and name hn)(resid 14 and name hb#) 1.8 0.0 2.2
assign (resid 14 and name hn)(resid 15 and name hn) 1.8 0.0 1.2
assign (resid 14 and name hn)(resid 15 and name hb1) 1.8 0.0 4.2
assign (resid 14 and name hn)(resid 15 and name hb2) 1.8 0.0 4.2
assign (resid 14 and name hn)(resid 16 and name hn) 1.8 0.0 3.2
assign (resid 14 and name ha)(resid 17 and name hb#) 1.8 0.0 2.7
assign (resid 14 and name ha)(resid 17 and name hg1) 1.8 0.0 4.2
assign (resid 14 and name ha)(resid 17 and name hg2) 1.8 0.0 4.2

! C15
assign (resid 15 and name hn)(resid 11 and name ha) 1.8 0.0 3.2
assign (resid 15 and name hn)(resid 12 and name ha) 1.8 0.0 2.2
assign (resid 15 and name hn)(resid 12 and name hn) 1.8 0.0 4.2
assign (resid 15 and name hn)(resid 13 and name ha) 1.8 0.0 3.2
assign (resid 15 and name hn)(resid 13 and name hb) 1.8 0.0 4.2
assign (resid 15 and name hn)(resid 14 and name ha) 1.8 0.0 2.2
assign (resid 15 and name hn)(resid 14 and name hb#) 1.8 0.0 2.2
assign (resid 15 and name hn)(resid 15 and name ha) 1.8 0.0 1.2
assign (resid 15 and name hn)(resid 15 and name hb1) 1.8 0.0 2.2
assign (resid 15 and name hn)(resid 15 and name hb2) 1.8 0.0 2.2
assign (resid 15 and name hn)(resid 16 and name hn) 1.8 0.0 1.2
assign (resid 15 and name hn)(resid 16 and name ha) 1.8 0.0 4.2
assign (resid 15 and name hn)(resid 16 and name hb) 1.8 0.0 3.2
assign (resid 15 and name hn)(resid 17 and name hn) 1.8 0.0 3.2
assign (resid 15 and name hn)(resid 18 and name hb#) 1.8 0.0 4.2
assign (resid 15 and name hn)(resid 31 and name hb1) 1.8 0.0 4.2
assign (resid 15 and name hn)(resid 31 and name hb2) 1.8 0.0 4.2
assign (resid 15 and name ha)(resid 14 and name hb#) 1.8 0.0 4.2
assign (resid 15 and name ha)(resid 18 and name hb1) 1.8 0.0 3.2
assign (resid 15 and name ha)(resid 18 and name hb2) 1.8 0.0 3.2
assign (resid 15 and name ha)(resid 41 and name hb#) 1.8 0.0 4.2

! T16
assign (resid 16 and name hn)(resid 12 and name ha) 1.8 0.0 3.2
assign (resid 16 and name hn)(resid 12 and name hg#) 1.8 0.0 4.2
assign (resid 16 and name hn)(resid 13 and name ha) 1.8 0.0 2.2
assign (resid 16 and name hn)(resid 13 and name hg2#) 1.8 0.0 4.2
assign (resid 16 and name hn)(resid 14 and name ha) 1.8 0.0 3.2
assign (resid 16 and name hn)(resid 15 and name ha) 1.8 0.0 2.2
assign (resid 16 and name hn)(resid 15 and name hb1) 1.8 0.0 3.2
assign (resid 16 and name hn)(resid 15 and name hb2) 1.8 0.0 3.2
assign (resid 16 and name hn)(resid 16 and name ha) 1.8 0.0 1.2
assign (resid 16 and name hn)(resid 16 and name hb) 1.8 0.0 1.2
assign (resid 16 and name hn)(resid 16 and name hg2#) 1.8 0.0 3.2
assign (resid 16 and name hn)(resid 17 and name ha) 1.8 0.0 4.2
assign (resid 16 and name hn)(resid 17 and name hb1) 1.8 0.0 4.2
assign (resid 16 and name hn)(resid 17 and name hb2) 1.8 0.0 4.2
assign (resid 16 and name hn)(resid 17 and name hn) 1.8 0.0 1.2
assign (resid 16 and name ha)(resid 19 and name hb1) 1.8 0.0 3.7
assign (resid 16 and name ha)(resid 19 and name hb2) 1.8 0.0 3.7
assign (resid 16 and name ha)(resid 28 and name hb#) 1.8 0.0 4.2

! K17
assign (resid 17 and name hn)(resid 13 and name ha) 1.8 0.0 3.2
assign (resid 17 and name hn)(resid 14 and name ha) 1.8 0.0 2.2
assign (resid 17 and name hn)(resid 14 and name hb#) 1.8 0.0 4.2
assign (resid 17 and name hn)(resid 15 and name ha) 1.8 0.0 3.2
assign (resid 17 and name hn)(resid 16 and name ha) 1.8 0.0 2.2
assign (resid 17 and name hn)(resid 16 and name hb) 1.8 0.0 1.7
assign (resid 17 and name hn)(resid 16 and name hg2#) 1.8 0.0 3.2
assign (resid 17 and name hn)(resid 17 and name ha) 1.8 0.0 1.2
assign (resid 17 and name hn)(resid 17 and name hb1) 1.8 0.0 2.2
assign (resid 17 and name hn)(resid 17 and name hb2) 1.8 0.0 2.2
assign (resid 17 and name hn)(resid 17 and name hg1) 1.8 0.0 2.2
assign (resid 17 and name hn)(resid 17 and name hg2) 1.8 0.0 2.2
assign (resid 17 and name hn)(resid 17 and name hd1) 1.8 0.0 3.2
assign (resid 17 and name hn)(resid 17 and name hd2) 1.8 0.0 3.2
assign (resid 17 and name hn)(resid 18 and name hn) 1.8 0.0 1.2
assign (resid 17 and name ha)(resid 20 and name hb#) 1.8 0.0 2.2

! C18
assign (resid 18 and name hn)(resid 14 and name ha) 1.8 0.0 3.2
assign (resid 18 and name hn)(resid 14 and name hb#) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 15 and name ha) 1.8 0.0 2.2
assign (resid 18 and name hn)(resid 15 and name hn) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 16 and name ha) 1.8 0.0 3.2
assign (resid 18 and name hn)(resid 16 and name hb) 1.8 0.0 3.2
assign (resid 18 and name hn)(resid 16 and name hg2#) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 16 and name hn) 1.8 0.0 3.2
assign (resid 18 and name hn)(resid 17 and name ha) 1.8 0.0 2.2
assign (resid 18 and name hn)(resid 17 and name hb1) 1.8 0.0 2.2
assign (resid 18 and name hn)(resid 17 and name hb2) 1.8 0.0 2.2
assign (resid 18 and name hn)(resid 17 and name hg1) 1.8 0.0 3.7
assign (resid 18 and name hn)(resid 17 and name hg2) 1.8 0.0 3.7
assign (resid 18 and name hn)(resid 17 and name hd1) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 17 and name hd2) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 18 and name ha) 1.8 0.0 1.2
assign (resid 18 and name hn)(resid 18 and name hb1) 1.8 0.0 2.2
assign (resid 18 and name hn)(resid 18 and name hb2) 1.8 0.0 2.2
assign (resid 18 and name hn)(resid 19 and name hn) 1.8 0.0 1.2
assign (resid 18 and name hn)(resid 19 and name hb#) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 20 and name hn) 1.8 0.0 3.2
assign (resid 18 and name hn)(resid 21 and name hn) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 28 and name ha) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 28 and name hd#) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 28 and name he#) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 31 and name hb#) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 41 and name hb#) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 45 and name hg) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 45 and name hd1#) 1.8 0.0 4.2
assign (resid 18 and name hn)(resid 45 and name hd2#) 1.8 0.0 4.2
assign (resid 18 and name ha)(resid 21 and name hb1) 1.8 0.0 2.2
assign (resid 18 and name ha)(resid 21 and name hb2) 1.8 0.0 2.2
assign (resid 18 and name ha)(resid 45 and name hd1#) 1.8 0.0 4.2
assign (resid 18 and name ha)(resid 45 and name hd2#) 1.8 0.0 4.2

! R19
assign (resid 19 and name hn)(resid 15 and name ha) 1.8 0.0 3.2
assign (resid 19 and name hn)(resid 16 and name ha) 1.8 0.0 2.2
assign (resid 19 and name hn)(resid 16 and name hg2#) 1.8 0.0 4.2
assign (resid 19 and name hn)(resid 17 and name ha) 1.8 0.0 3.2
assign (resid 19 and name hn)(resid 17 and name hn) 1.8 0.0 3.2
assign (resid 19 and name hn)(resid 18 and name ha) 1.8 0.0 2.2
assign (resid 19 and name hn)(resid 18 and name hb1) 1.8 0.0 3.2
assign (resid 19 and name hn)(resid 18 and name hb2) 1.8 0.0 3.2
assign (resid 19 and name hn)(resid 19 and name ha) 1.8 0.0 1.2
assign (resid 19 and name hn)(resid 19 and name hb1) 1.8 0.0 2.2
assign (resid 19 and name hn)(resid 19 and name hb2) 1.8 0.0 2.2
assign (resid 19 and name hn)(resid 19 and name hg#) 1.8 0.0 3.2
assign (resid 19 and name hn)(resid 20 and name hn) 1.8 0.0 1.2
assign (resid 19 and name hn)(resid 20 and name ha) 1.8 0.0 4.2
assign (resid 19 and name hn)(resid 20 and name hb#) 1.8 0.0 4.2
assign (resid 19 and name hn)(resid 21 and name hn) 1.8 0.0 3.2
assign (resid 19 and name hn)(resid 28 and name ha) 1.8 0.0 2.2
assign (resid 19 and name hn)(resid 28 and name hb#) 1.8 0.0 4.2
assign (resid 19 and name hn)(resid 28 and name hd#) 1.8 0.0 4.2
assign (resid 19 and name hn)(resid 28 and name he#) 1.8 0.0 4.2
assign (resid 19 and name ha)(resid 22 and name hb) 1.8 0.0 2.7

! D20
assign (resid 20 and name hn)(resid 16 and name ha) 1.8 0.0 3.2
assign (resid 20 and name hn)(resid 16 and name hg2#) 1.8 0.0 4.2
assign (resid 20 and name hn)(resid 17 and name ha) 1.8 0.0 2.2
assign (resid 20 and name hn)(resid 17 and name hb1) 1.8 0.0 4.2
assign (resid 20 and name hn)(resid 17 and name hb2) 1.8 0.0 4.2
assign (resid 20 and name hn)(resid 18 and name ha) 1.8 0.0 3.2
assign (resid 20 and name hn)(resid 18 and name hb#) 1.8 0.0 4.2
assign (resid 20 and name hn)(resid 19 and name ha) 1.8 0.0 2.2
assign (resid 20 and name hn)(resid 19 and name hb1) 1.8 0.0 2.2
assign (resid 20 and name hn)(resid 19 and name hb2) 1.8 0.0 2.2
assign (resid 20 and name hn)(resid 19 and name hg#) 1.8 0.0 3.2
assign (resid 20 and name hn)(resid 20 and name ha) 1.8 0.0 1.2
assign (resid 20 and name hn)(resid 20 and name hb1) 1.8 0.0 2.2
assign (resid 20 and name hn)(resid 20 and name hb2) 1.8 0.0 2.2
assign (resid 20 and name hn)(resid 21 and name hn) 1.8 0.0 1.2
assign (resid 20 and name hn)(resid 21 and name ha) 1.8 0.0 4.2
assign (resid 20 and name hn)(resid 21 and name hb#) 1.8 0.0 4.2
assign (resid 20 and name hn)(resid 24 and name hn) 1.8 0.0 4.2
assign (resid 20 and name hn)(resid 28 and name ha) 1.8 0.0 4.2
assign (resid 20 and name hn)(resid 28 and name hb#) 1.8 0.0 4.2

! R21
assign (resid 21 and name hn)(resid 17 and name ha) 1.8 0.0 3.2
assign (resid 21 and name hn)(resid 18 and name ha) 1.8 0.0 2.2
assign (resid 21 and name hn)(resid 19 and name ha) 1.8 0.0 3.2
assign (resid 21 and name hn)(resid 20 and name ha) 1.8 0.0 2.2
assign (resid 21 and name hn)(resid 20 and name hb1) 1.8 0.0 2.2
assign (resid 21 and name hn)(resid 20 and name hb2) 1.8 0.0 2.2
assign (resid 21 and name hn)(resid 21 and name ha) 1.8 0.0 1.2
assign (resid 21 and name hn)(resid 21 and name hb1) 1.8 0.0 2.2
assign (resid 21 and name hn)(resid 21 and name hb2) 1.8 0.0 2.2
assign (resid 21 and name hn)(resid 22 and name hb) 1.8 0.0 4.2
assign (resid 21 and name hn)(resid 22 and name hg1#) 1.8 0.0 4.2
assign (resid 21 and name hn)(resid 22 and name hg2#) 1.8 0.0 4.2
assign (resid 21 and name hn)(resid 22 and name hn) 1.8 0.0 1.2
assign (resid 21 and name hn)(resid 23 and name hn) 1.8 0.0 3.2
assign (resid 21 and name ha)(resid 23 and name hg#) 1.8 0.0 4.2

! V22
assign (resid 22 and name hn)(resid 18 and name ha) 1.8 0.0 3.2
assign (resid 22 and name hn)(resid 18 and name hb#) 1.8 0.0 4.2
assign (resid 22 and name hn)(resid 19 and name ha) 1.8 0.0 2.2
assign (resid 22 and name hn)(resid 20 and name ha) 1.8 0.0 3.2
assign (resid 22 and name hn)(resid 20 and name hb#) 1.8 0.0 4.2
assign (resid 22 and name hn)(resid 20 and name hn) 1.8 0.0 3.2
assign (resid 22 and name hn)(resid 21 and name ha) 1.8 0.0 2.2
assign (resid 22 and name hn)(resid 21 and name hb1) 1.8 0.0 2.2
assign (resid 22 and name hn)(resid 21 and name hb2) 1.8 0.0 2.2
assign (resid 22 and name hn)(resid 22 and name ha) 1.8 0.0 1.2
assign (resid 22 and name hn)(resid 22 and name hb) 1.8 0.0 1.2
assign (resid 22 and name hn)(resid 22 and name hg1#) 1.8 0.0 3.2
assign (resid 22 and name hn)(resid 22 and name hg2#) 1.8 0.0 3.2
assign (resid 22 and name hn)(resid 23 and name ha) 1.8 0.0 3.2
assign (resid 22 and name hn)(resid 23 and name hg#) 1.8 0.0 4.2
assign (resid 22 and name hn)(resid 23 and name hn) 1.8 0.0 1.2
assign (resid 22 and name hn)(resid 24 and name hn) 1.8 0.0 3.2

! R23
assign (resid 23 and name hn)(resid 19 and name ha) 1.8 0.0 3.2
assign (resid 23 and name hn)(resid 20 and name ha) 1.8 0.0 2.2
assign (resid 23 and name hn)(resid 21 and name ha) 1.8 0.0 3.2
assign (resid 23 and name hn)(resid 22 and name ha) 1.8 0.0 2.2
assign (resid 23 and name hn)(resid 22 and name hb) 1.8 0.0 1.7
assign (resid 23 and name hn)(resid 22 and name hg1#) 1.8 0.0 3.2
assign (resid 23 and name hn)(resid 22 and name hg2#) 1.8 0.0 3.2
assign (resid 23 and name hn)(resid 23 and name ha) 1.8 0.0 1.2
assign (resid 23 and name hn)(resid 23 and name hb1) 1.8 0.0 2.2
assign (resid 23 and name hn)(resid 23 and name hb2) 1.8 0.0 2.2
assign (resid 23 and name hn)(resid 23 and name hg1) 1.8 0.0 2.2
assign (resid 23 and name hn)(resid 23 and name hg2) 1.8 0.0 2.2
assign (resid 23 and name hn)(resid 23 and name hd#) 1.8 0.0 4.2
assign (resid 23 and name hn)(resid 24 and name hn) 1.8 0.0 1.7

! T24
assign (resid 24 and name hn)(resid 19 and name ha) 1.8 0.0 2.2
assign (resid 24 and name hn)(resid 20 and name ha) 1.8 0.0 3.2
assign (resid 24 and name hn)(resid 22 and name ha) 1.8 0.0 3.2
assign (resid 24 and name hn)(resid 22 and name hb) 1.8 0.0 1.7
assign (resid 24 and name hn)(resid 22 and name hg1#) 1.8 0.0 4.2
assign (resid 24 and name hn)(resid 22 and name hg2#) 1.8 0.0 4.2
assign (resid 24 and name hn)(resid 23 and name ha) 1.8 0.0 2.2
assign (resid 24 and name hn)(resid 23 and name hb1) 1.8 0.0 3.2
assign (resid 24 and name hn)(resid 23 and name hb2) 1.8 0.0 3.2
assign (resid 24 and name hn)(resid 23 and name hg1) 1.8 0.0 4.2
assign (resid 24 and name hn)(resid 23 and name hg2) 1.8 0.0 4.2
assign (resid 24 and name hn)(resid 24 and name ha) 1.8 0.0 1.2
assign (resid 24 and name hn)(resid 24 and name hb) 1.8 0.0 1.2
assign (resid 24 and name hn)(resid 25 and name hn) 1.8 0.0 3.2
assign (resid 24 and name hn)(resid 27 and name ha) 1.8 0.0 4.2
assign (resid 24 and name hn)(resid 27 and name hb1) 1.8 0.0 3.2
assign (resid 24 and name hn)(resid 27 and name hb2) 1.8 0.0 3.2
assign (resid 24 and name hn)(resid 27 and name hn) 1.8 0.0 3.2
assign (resid 24 and name ha)(resid 22 and name hb) 1.8 0.0 4.2
assign (resid 24 and name hb)(resid 22 and name hb) 1.8 0.0 3.2

! D25
assign (resid 25 and name hn)(resid 24 and name ha) 1.8 0.0 1.7
assign (resid 25 and name hn)(resid 24 and name hb) 1.8 0.0 3.2
assign (resid 25 and name hn)(resid 25 and name ha) 1.8 0.0 1.2
assign (resid 25 and name hn)(resid 25 and name hb1) 1.8 0.0 2.2
assign (resid 25 and name hn)(resid 25 and name hb2) 1.8 0.0 2.2
assign (resid 25 and name hn)(resid 26 and name ha) 1.8 0.0 4.2
assign (resid 25 and name hn)(resid 26 and name hn) 1.8 0.0 1.2
assign (resid 25 and name hn)(resid 27 and name hn) 1.8 0.0 3.2

! D26
assign (resid 26 and name hn)(resid 19 and name hb#) 1.8 0.0 4.2
assign (resid 26 and name hn)(resid 24 and name ha) 1.8 0.0 2.2
assign (resid 26 and name hn)(resid 24 and name hb) 1.8 0.0 2.2
assign (resid 26 and name hn)(resid 25 and name ha) 1.8 0.0 2.2
assign (resid 26 and name hn)(resid 25 and name hb1) 1.8 0.0 2.7
assign (resid 26 and name hn)(resid 25 and name hb2) 1.8 0.0 2.7
assign (resid 26 and name hn)(resid 26 and name ha) 1.8 0.0 1.2
assign (resid 26 and name hn)(resid 26 and name hb1) 1.8 0.0 2.2
assign (resid 26 and name hn)(resid 26 and name hb2) 1.8 0.0 2.2
assign (resid 26 and name hn)(resid 27 and name ha) 1.8 0.0 4.2
assign (resid 26 and name hn)(resid 27 and name hb1) 1.8 0.0 4.2
assign (resid 26 and name hn)(resid 27 and name hb2) 1.8 0.0 4.2
assign (resid 26 and name hn)(resid 28 and name hb1) 1.8 0.0 4.2
assign (resid 26 and name hn)(resid 28 and name hb2) 1.8 0.0 4.2
assign (resid 26 and name ha)(resid 29 and name hb1) 1.8 0.0 3.7
assign (resid 26 and name ha)(resid 29 and name hb2) 1.8 0.0 3.7

! Y27
assign (resid 27 and name hn)(resid 19 and name hb#) 1.8 0.0 4.2
assign (resid 27 and name hn)(resid 22 and name hb) 1.8 0.0 4.2
assign (resid 27 and name hn)(resid 24 and name hn) 1.8 0.0 3.2
assign (resid 27 and name hn)(resid 24 and name ha) 1.8 0.0 3.2
assign (resid 27 and name hn)(resid 24 and name hb) 1.8 0.0 2.2
assign (resid 27 and name hn)(resid 25 and name ha) 1.8 0.0 3.2
assign (resid 27 and name hn)(resid 26 and name ha) 1.8 0.0 2.2
assign (resid 27 and name hn)(resid 26 and name hb1) 1.8 0.0 2.2
assign (resid 27 and name hn)(resid 26 and name hb2) 1.8 0.0 2.2
assign (resid 27 and name hn)(resid 26 and name hn) 1.8 0.0 1.2
assign (resid 27 and name hn)(resid 27 and name ha) 1.8 0.0 1.2
assign (resid 27 and name hn)(resid 27 and name hb1) 1.8 0.0 2.2
assign (resid 27 and name hn)(resid 27 and name hb2) 1.8 0.0 2.2
assign (resid 27 and name hn)(resid 28 and name ha) 1.8 0.0 4.2
assign (resid 27 and name hn)(resid 28 and name hb1) 1.8 0.0 4.2
assign (resid 27 and name hn)(resid 28 and name hb2) 1.8 0.0 4.2
assign (resid 27 and name hn)(resid 28 and name hn) 1.8 0.0 1.2
assign (resid 27 and name hn)(resid 29 and name hn) 1.8 0.0 3.2
assign (resid 27 and name hn)(resid 30 and name hn) 1.8 0.0 4.2
assign (resid 27 and name ha)(resid 30 and name hb#) 1.8 0.0 2.2
assign (resid 27 and name hb1)(resid 22 and name hb) 1.8 0.0 2.2
assign (resid 27 and name hb2)(resid 22 and name hb) 1.8 0.0 2.2
assign (resid 27 and name hb1)(resid 22 and name hg1#) 1.8 0.0 3.7
assign (resid 27 and name hb1)(resid 22 and name hg2#) 1.8 0.0 3.7
assign (resid 27 and name hb2)(resid 22 and name hg1#) 1.8 0.0 3.7
assign (resid 27 and name hb2)(resid 22 and name hg2#) 1.8 0.0 3.7

! F28
assign (resid 28 and name hn)(resid 19 and name hb#) 1.8 0.0 3.2
assign (resid 28 and name hn)(resid 19 and name hg#) 1.8 0.0 4.2
assign (resid 28 and name hn)(resid 19 and name hn) 1.8 0.0 4.2
assign (resid 28 and name hn)(resid 26 and name ha) 1.8 0.0 3.2
assign (resid 28 and name hn)(resid 27 and name ha) 1.8 0.0 2.2
assign (resid 28 and name hn)(resid 27 and name hb1) 1.8 0.0 2.2
assign (resid 28 and name hn)(resid 27 and name hb2) 1.8 0.0 2.2
assign (resid 28 and name hn)(resid 28 and name ha) 1.8 0.0 1.2
assign (resid 28 and name hn)(resid 28 and name hb1) 1.8 0.0 2.2
assign (resid 28 and name hn)(resid 28 and name hb2) 1.8 0.0 2.2
assign (resid 28 and name hn)(resid 28 and name hd#) 1.8 0.0 3.2
assign (resid 28 and name hn)(resid 28 and name he#) 1.8 0.0 4.2
assign (resid 28 and name hn)(resid 29 and name hn) 1.8 0.0 1.2
assign (resid 28 and name hn)(resid 29 and name hb#) 1.8 0.0 4.2
assign (resid 28 and name hn)(resid 30 and name hn) 1.8 0.0 3.2
assign (resid 28 and name hn)(resid 31 and name hn) 1.8 0.0 4.2
assign (resid 28 and name ha)(resid 31 and name hb1) 1.8 0.0 2.7
assign (resid 28 and name ha)(resid 31 and name hb2) 1.8 0.0 2.7
assign (resid 28 and name ha)(resid 19 and name hb1) 1.8 0.0 2.7
assign (resid 28 and name ha)(resid 19 and name hb2) 1.8 0.0 2.7
assign (resid 28 and name ha)(resid 15 and name hb1) 1.8 0.0 4.2
assign (resid 28 and name ha)(resid 15 and name hb2) 1.8 0.0 4.2

! Y29
assign (resid 29 and name hn)(resid 19 and name hb1) 1.8 0.0 4.2
assign (resid 29 and name hn)(resid 19 and name hb2) 1.8 0.0 4.2
assign (resid 29 and name hn)(resid 25 and name ha) 1.8 0.0 3.2
assign (resid 29 and name hn)(resid 26 and name ha) 1.8 0.0 2.2
assign (resid 29 and name hn)(resid 27 and name ha) 1.8 0.0 3.2
assign (resid 29 and name hn)(resid 28 and name ha) 1.8 0.0 2.2
assign (resid 29 and name hn)(resid 28 and name hb1) 1.8 0.0 2.2
assign (resid 29 and name hn)(resid 28 and name hb2) 1.8 0.0 2.2
assign (resid 29 and name hn)(resid 29 and name ha) 1.8 0.0 1.2
assign (resid 29 and name hn)(resid 29 and name hb1) 1.8 0.0 2.2
assign (resid 29 and name hn)(resid 29 and name hb2) 1.8 0.0 2.2
assign (resid 29 and name hn)(resid 30 and name hn) 1.8 0.0 1.2
assign (resid 29 and name hn)(resid 31 and name hn) 1.8 0.0 3.2
assign (resid 29 and name ha)(resid 32 and name hb1) 1.8 0.0 2.7
assign (resid 29 and name ha)(resid 32 and name hb2) 1.8 0.0 2.7

! E30
assign (resid 30 and name hn)(resid 26 and name ha) 1.8 0.0 3.2
assign (resid 30 and name hn)(resid 27 and name ha) 1.8 0.0 2.2
assign (resid 30 and name hn)(resid 28 and name ha) 1.8 0.0 3.2
assign (resid 30 and name hn)(resid 29 and name ha) 1.8 0.0 2.2
assign (resid 30 and name hn)(resid 29 and name hb1) 1.8 0.0 2.2
assign (resid 30 and name hn)(resid 29 and name hb2) 1.8 0.0 2.2
assign (resid 30 and name hn)(resid 30 and name ha) 1.8 0.0 1.2
assign (resid 30 and name hn)(resid 30 and name hb1) 1.8 0.0 2.2
assign (resid 30 and name hn)(resid 30 and name hb2) 1.8 0.0 2.2
assign (resid 30 and name hn)(resid 30 and name hg1) 1.8 0.0 3.2
assign (resid 30 and name hn)(resid 30 and name hg2) 1.8 0.0 3.2
assign (resid 30 and name hn)(resid 31 and name hn) 1.8 0.0 1.2
assign (resid 30 and name hn)(resid 31 and name hb1) 1.8 0.0 4.2
assign (resid 30 and name hn)(resid 31 and name hb2) 1.8 0.0 4.2
assign (resid 30 and name hn)(resid 32 and name hn) 1.8 0.0 3.2

! C31
assign (resid 31 and name hn)(resid 15 and name hb#) 1.8 0.0 4.2
assign (resid 31 and name hn)(resid 27 and name ha) 1.8 0.0 3.2
assign (resid 31 and name hn)(resid 28 and name ha) 1.8 0.0 2.2
assign (resid 31 and name hn)(resid 28 and name hd#) 1.8 0.0 4.2
assign (resid 31 and name hn)(resid 28 and name he#) 1.8 0.0 4.2
assign (resid 31 and name hn)(resid 29 and name ha) 1.8 0.0 3.2
assign (resid 31 and name hn)(resid 30 and name ha) 1.8 0.0 2.2
assign (resid 31 and name hn)(resid 30 and name hb1) 1.8 0.0 2.2
assign (resid 31 and name hn)(resid 30 and name hb2) 1.8 0.0 2.2
assign (resid 31 and name hn)(resid 31 and name ha) 1.8 0.0 1.2
assign (resid 31 and name hn)(resid 31 and name hb1) 1.8 0.0 2.2
assign (resid 31 and name hn)(resid 31 and name hb2) 1.8 0.0 2.2
assign (resid 31 and name hn)(resid 32 and name hn) 1.8 0.0 1.2
assign (resid 31 and name hn)(resid 32 and name hb1) 1.8 0.0 4.2
assign (resid 31 and name hn)(resid 32 and name hb2) 1.8 0.0 4.2
assign (resid 31 and name hn)(resid 33 and name hn) 1.8 0.0 3.2

! C32
assign (resid 32 and name hn)(resid 28 and name ha) 1.8 0.0 3.2
assign (resid 32 and name hn)(resid 29 and name ha) 1.8 0.0 2.2
assign (resid 32 and name hn)(resid 29 and name hb1) 1.8 0.0 4.2
assign (resid 32 and name hn)(resid 29 and name hb2) 1.8 0.0 4.2
assign (resid 32 and name hn)(resid 30 and name ha) 1.8 0.0 3.2
assign (resid 32 and name hn)(resid 31 and name ha) 1.8 0.0 2.2
assign (resid 32 and name hn)(resid 31 and name hb1) 1.8 0.0 3.2
assign (resid 32 and name hn)(resid 31 and name hb2) 1.8 0.0 3.2
assign (resid 32 and name hn)(resid 32 and name ha) 1.8 0.0 1.2
assign (resid 32 and name hn)(resid 32 and name hb1) 1.8 0.0 2.2
assign (resid 32 and name hn)(resid 32 and name hb2) 1.8 0.0 2.2
assign (resid 32 and name hn)(resid 33 and name hn) 1.8 0.0 2.2
!assign (resid 32 and name hn)(resid 34 and name hn) 1.8 0.0 3.2

! T33
assign (resid 33 and name hn)(resid 29 and name ha) 1.8 0.0 3.2
assign (resid 33 and name hn)(resid 30 and name ha) 1.8 0.0 2.7
assign (resid 33 and name hn)(resid 30 and name hb#) 1.8 0.0 4.2
assign (resid 33 and name hn)(resid 30 and name hg#) 1.8 0.0 4.2
assign (resid 33 and name hn)(resid 31 and name ha) 1.8 0.0 4.2
assign (resid 33 and name hn)(resid 31 and name hb#) 1.8 0.0 4.2
assign (resid 33 and name hn)(resid 32 and name ha) 1.8 0.0 2.2
assign (resid 33 and name hn)(resid 32 and name hb1) 1.8 0.0 2.2
assign (resid 33 and name hn)(resid 32 and name hb2) 1.8 0.0 2.2
assign (resid 33 and name hn)(resid 33 and name ha) 1.8 0.0 1.2
assign (resid 33 and name hn)(resid 33 and name hb) 1.8 0.0 1.7
assign (resid 33 and name hn)(resid 34 and name hn) 1.8 0.0 3.2
assign (resid 33 and name hn)(resid 34 and name ha) 1.8 0.0 4.2
!assign (resid 33 and name hn)(resid 34 and name hb1) 1.8 0.0 4.2
!assign (resid 33 and name hn)(resid 34 and name hb2) 1.8 0.0 4.2
assign (resid 33 and name hn)(resid 37 and name hg2#) 1.8 0.0 4.2
assign (resid 33 and name hn)(resid 38 and name ha) 1.8 0.0 4.2
assign (resid 33 and name hn)(resid 38 and name hd#) 1.8 0.0 4.2
assign (resid 33 and name hn)(resid 38 and name he#) 1.8 0.0 4.2

! S34
assign (resid 34 and name hn)(resid 33 and name ha) 1.8 0.0 1.2
assign (resid 34 and name hn)(resid 33 and name hb) 1.8 0.0 1.2
assign (resid 34 and name hn)(resid 34 and name ha) 1.8 0.0 1.2
assign (resid 34 and name hn)(resid 34 and name hb1) 1.8 0.0 1.7
assign (resid 34 and name hn)(resid 34 and name hb2) 1.8 0.0 1.7
assign (resid 34 and name hn)(resid 37 and name hb) 1.8 0.0 4.2
assign (resid 34 and name ha)(resid 35 and name hb1) 1.8 0.0 4.2
assign (resid 34 and name ha)(resid 35 and name hb2) 1.8 0.0 4.2

! E35
!assign (resid 35 and name hn)(resid 4 and name hn) 1.8 0.0 4.2
assign (resid 35 and name hn)(resid 34 and name hn) 1.8 0.0 3.2
assign (resid 35 and name hn)(resid 34 and name ha) 1.8 0.0 1.2
assign (resid 35 and name hn)(resid 34 and name hb1) 1.8 0.0 2.7
assign (resid 35 and name hn)(resid 34 and name hb2) 1.8 0.0 2.7
assign (resid 35 and name hn)(resid 35 and name ha) 1.8 0.0 1.2
assign (resid 35 and name hn)(resid 35 and name hb1) 1.8 0.0 2.2
assign (resid 35 and name hn)(resid 35 and name hb2) 1.8 0.0 2.2
assign (resid 35 and name hn)(resid 36 and name hn) 1.8 0.0 1.2
assign (resid 35 and name hn)(resid 37 and name hn) 1.8 0.0 3.2
assign (resid 35 and name hn)(resid 38 and name hn) 1.8 0.0 4.2
assign (resid 35 and name ha)(resid 38 and name hb1) 1.8 0.0 2.7
assign (resid 35 and name ha)(resid 38 and name hb2) 1.8 0.0 2.7
assign (resid 35 and name ha)(resid 38 and name hd#) 1.8 0.0 4.2
assign (resid 35 and name ha)(resid 38 and name he#) 1.8 0.0 4.2

! S36
!assign (resid 36 and name hn)(resid 33 and name hb) 1.8 0.0 4.2
assign (resid 36 and name hn)(resid 34 and name ha) 1.8 0.0 3.2
assign (resid 36 and name hn)(resid 34 and name hb1) 1.8 0.0 3.2
assign (resid 36 and name hn)(resid 34 and name hb2) 1.8 0.0 3.2
assign (resid 36 and name hn)(resid 35 and name ha) 1.8 0.0 2.2
assign (resid 36 and name hn)(resid 35 and name hb1) 1.8 0.0 2.2
assign (resid 36 and name hn)(resid 35 and name hb2) 1.8 0.0 2.2
assign (resid 36 and name hn)(resid 36 and name ha) 1.8 0.0 1.2
assign (resid 36 and name hn)(resid 37 and name hn) 1.8 0.0 1.2
assign (resid 36 and name hn)(resid 37 and name ha) 1.8 0.0 4.2
assign (resid 36 and name hn)(resid 38 and name hb1) 1.8 0.0 4.2
assign (resid 36 and name hn)(resid 38 and name hb2) 1.8 0.0 4.2
assign (resid 36 and name hn)(resid 38 and name hn) 1.8 0.0 4.2
assign (resid 36 and name hn)(resid 39 and name hn) 1.8 0.0 4.2
assign (resid 36 and name ha)(resid 39 and name hb#) 1.8 0.0 4.2

! T37
assign (resid 37 and name hn)(resid 34 and name ha) 1.8 0.0 4.2
assign (resid 37 and name hn)(resid 34 and name hb#) 1.8 0.0 3.2
assign (resid 37 and name hn)(resid 35 and name ha) 1.8 0.0 3.2
assign (resid 37 and name hn)(resid 35 and name hb#) 1.8 0.0 4.2
assign (resid 37 and name hn)(resid 36 and name ha) 1.8 0.0 2.2
assign (resid 37 and name hn)(resid 37 and name ha) 1.8 0.0 1.2
assign (resid 37 and name hn)(resid 37 and name hb) 1.8 0.0 1.7
assign (resid 37 and name hn)(resid 37 and name hg2#) 1.8 0.0 3.2
assign (resid 37 and name hn)(resid 39 and name hn) 1.8 0.0 3.2
assign (resid 37 and name ha)(resid 40 and name hb1) 1.8 0.0 2.2
assign (resid 37 and name ha)(resid 40 and name hb2) 1.8 0.0 2.2

! F38
assign (resid 38 and name hn)(resid 33 and name hn) 1.8 0.0 4.2
assign (resid 38 and name hn)(resid 35 and name ha) 1.8 0.0 2.2
assign (resid 38 and name hn)(resid 35 and name hb#) 1.8 0.0 4.2
assign (resid 38 and name hn)(resid 36 and name ha) 1.8 0.0 3.2
assign (resid 38 and name hn)(resid 37 and name ha) 1.8 0.0 2.2
assign (resid 38 and name hn)(resid 37 and name hb) 1.8 0.0 1.7
assign (resid 38 and name hn)(resid 37 and name hg2#) 1.8 0.0 3.2
assign (resid 38 and name hn)(resid 37 and name hn) 1.8 0.0 1.2
assign (resid 38 and name hn)(resid 38 and name ha) 1.8 0.0 1.2
assign (resid 38 and name hn)(resid 38 and name hb1) 1.8 0.0 2.2
assign (resid 38 and name hn)(resid 38 and name hb2) 1.8 0.0 2.2
assign (resid 38 and name hn)(resid 39 and name hn) 1.8 0.0 1.2
assign (resid 38 and name hn)(resid 40 and name hn) 1.8 0.0 3.2
assign (resid 38 and name ha)(resid 41 and name hb1) 1.8 0.0 3.2
assign (resid 38 and name ha)(resid 41 and name hb2) 1.8 0.0 3.2

! K39
assign (resid 39 and name hn)(resid 35 and name ha) 1.8 0.0 3.2
assign (resid 39 and name hn)(resid 36 and name ha) 1.8 0.0 2.2
assign (resid 39 and name hn)(resid 37 and name ha) 1.8 0.0 3.2
assign (resid 39 and name hn)(resid 38 and name ha) 1.8 0.0 2.2
assign (resid 39 and name hn)(resid 38 and name hb1) 1.8 0.0 2.2
assign (resid 39 and name hn)(resid 38 and name hb2) 1.8 0.0 2.2
assign (resid 39 and name hn)(resid 39 and name ha) 1.8 0.0 1.2
assign (resid 39 and name hn)(resid 39 and name hb1) 1.8 0.0 2.2
assign (resid 39 and name hn)(resid 39 and name hb2) 1.8 0.0 2.2
assign (resid 39 and name hn)(resid 40 and name hn) 1.8 0.0 1.2

! K40
assign (resid 40 and name hn)(resid 36 and name ha) 1.8 0.0 3.2
assign (resid 40 and name hn)(resid 37 and name ha) 1.8 0.0 2.2
assign (resid 40 and name hn)(resid 38 and name ha) 1.8 0.0 3.2
assign (resid 40 and name hn)(resid 38 and name hb1) 1.8 0.0 4.2
assign (resid 40 and name hn)(resid 38 and name hb2) 1.8 0.0 4.2
assign (resid 40 and name hn)(resid 39 and name ha) 1.8 0.0 2.2
assign (resid 40 and name hn)(resid 39 and name hb1) 1.8 0.0 2.2
assign (resid 40 and name hn)(resid 39 and name hb2) 1.8 0.0 2.2
assign (resid 40 and name hn)(resid 40 and name ha) 1.8 0.0 1.2
assign (resid 40 and name hn)(resid 40 and name hb1) 1.8 0.0 2.2
assign (resid 40 and name hn)(resid 40 and name hb2) 1.8 0.0 2.2
assign (resid 40 and name hn)(resid 41 and name hn) 1.8 0.0 1.2
assign (resid 40 and name hn)(resid 41 and name hb#) 1.8 0.0 4.2
assign (resid 40 and name hn)(resid 42 and name hn) 1.8 0.0 3.2
assign (resid 40 and name hn)(resid 43 and name hn) 1.8 0.0 4.2
assign (resid 40 and name ha)(resid 43 and name hb) 1.8 0.0 2.7
assign (resid 40 and name ha)(resid 43 and name hg2#) 1.8 0.0 4.2

! C41
assign (resid 41 and name hn)(resid 37 and name ha) 1.8 0.0 3.2
assign (resid 41 and name hn)(resid 37 and name hb) 1.8 0.0 4.2
assign (resid 41 and name hn)(resid 38 and name ha) 1.8 0.0 2.2
assign (resid 41 and name hn)(resid 39 and name hn) 1.8 0.0 3.2
assign (resid 41 and name hn)(resid 39 and name ha) 1.8 0.0 3.2
assign (resid 41 and name hn)(resid 40 and name ha) 1.8 0.0 2.2
assign (resid 41 and name hn)(resid 40 and name hb1) 1.8 0.0 2.2
assign (resid 41 and name hn)(resid 40 and name hb2) 1.8 0.0 2.2
assign (resid 41 and name hn)(resid 41 and name ha) 1.8 0.0 1.2
assign (resid 41 and name hn)(resid 41 and name hb1) 1.8 0.0 2.2
assign (resid 41 and name hn)(resid 41 and name hb2) 1.8 0.0 2.2
assign (resid 41 and name hn)(resid 42 and name hn) 1.8 0.0 1.2
assign (resid 41 and name hn)(resid 42 and name ha) 1.8 0.0 4.2
assign (resid 41 and name hn)(resid 43 and name hn) 1.8 0.0 3.2

! Q42
!assign (resid 42 and name hn)(resid 14 and name hb#) 1.8 0.0 4.2
assign (resid 42 and name hn)(resid 38 and name ha) 1.8 0.0 3.2
assign (resid 42 and name hn)(resid 39 and name ha) 1.8 0.0 2.2
assign (resid 42 and name hn)(resid 39 and name hn) 1.8 0.0 4.2
assign (resid 42 and name hn)(resid 40 and name ha) 1.8 0.0 3.2
assign (resid 42 and name hn)(resid 41 and name ha) 1.8 0.0 2.2
assign (resid 42 and name hn)(resid 41 and name hb1) 1.8 0.0 2.2
assign (resid 42 and name hn)(resid 41 and name hb2) 1.8 0.0 2.2
assign (resid 42 and name hn)(resid 42 and name ha) 1.8 0.0 1.2
assign (resid 42 and name hn)(resid 42 and name hb1) 1.8 0.0 2.2
assign (resid 42 and name hn)(resid 42 and name hb2) 1.8 0.0 2.2
assign (resid 42 and name hn)(resid 42 and name hg#) 1.8 0.0 3.2
assign (resid 42 and name hn)(resid 43 and name hn) 1.8 0.0 1.2
assign (resid 42 and name hn)(resid 43 and name ha) 1.8 0.0 4.2
assign (resid 42 and name hn)(resid 43 and name hb) 1.8 0.0 4.2
assign (resid 42 and name hn)(resid 45 and name hn) 1.8 0.0 4.2
assign (resid 42 and name hn)(resid 45 and name hd1#) 1.8 0.0 4.2
assign (resid 42 and name ha)(resid 45 and name hb1) 1.8 0.0 2.7
assign (resid 42 and name ha)(resid 45 and name hb2) 1.8 0.0 2.7
assign (resid 42 and name ha)(resid 45 and name hg) 1.8 0.0 2.2
assign (resid 42 and name ha)(resid 45 and name hd1#) 1.8 0.0 4.2
assign (resid 42 and name ha)(resid 45 and name hd2#) 1.8 0.0 4.2

! T43
assign (resid 43 and name hn)(resid 39 and name ha) 1.8 0.0 3.2
assign (resid 43 and name hn)(resid 40 and name ha) 1.8 0.0 2.2
assign (resid 43 and name hn)(resid 41 and name ha) 1.8 0.0 3.2
assign (resid 43 and name hn)(resid 42 and name ha) 1.8 0.0 2.2
assign (resid 43 and name hn)(resid 42 and name hb1) 1.8 0.0 2.2
assign (resid 43 and name hn)(resid 42 and name hb2) 1.8 0.0 2.2
assign (resid 43 and name hn)(resid 42 and name hg#) 1.8 0.0 3.2
assign (resid 43 and name hn)(resid 43 and name ha) 1.8 0.0 1.2
assign (resid 43 and name hn)(resid 43 and name hb) 1.8 0.0 1.2
assign (resid 43 and name hn)(resid 43 and name hg2#) 1.8 0.0 3.2
assign (resid 43 and name hn)(resid 44 and name hn) 1.8 0.0 1.2
assign (resid 43 and name hn)(resid 44 and name ha) 1.8 0.0 4.2
assign (resid 43 and name hn)(resid 44 and name hb1) 1.8 0.0 4.2
assign (resid 43 and name hn)(resid 44 and name hb2) 1.8 0.0 4.2
assign (resid 43 and name hn)(resid 45 and name hn) 1.8 0.0 3.2
assign (resid 43 and name hn)(resid 46 and name hn) 1.8 0.0 4.2
assign (resid 43 and name ha)(resid 47 and name hg#) 1.8 0.0 4.2

! M44
assign (resid 44 and name hn)(resid 40 and name ha) 1.8 0.0 3.2
assign (resid 44 and name hn)(resid 41 and name ha) 1.8 0.0 2.2
assign (resid 44 and name hn)(resid 42 and name hn) 1.8 0.0 3.2
assign (resid 44 and name hn)(resid 42 and name ha) 1.8 0.0 3.2
assign (resid 44 and name hn)(resid 43 and name ha) 1.8 0.0 2.2
assign (resid 44 and name hn)(resid 43 and name hb) 1.8 0.0 1.2
assign (resid 44 and name hn)(resid 43 and name hg2#) 1.8 0.0 3.2
assign (resid 44 and name hn)(resid 44 and name ha) 1.8 0.0 1.2
assign (resid 44 and name hn)(resid 44 and name hb1) 1.8 0.0 2.2
assign (resid 44 and name hn)(resid 44 and name hb2) 1.8 0.0 2.2
assign (resid 44 and name hn)(resid 44 and name hg#) 1.8 0.0 2.2
assign (resid 44 and name hn)(resid 45 and name hn) 1.8 0.0 1.2
assign (resid 44 and name hn)(resid 45 and name hb1) 1.8 0.0 4.2
assign (resid 44 and name hn)(resid 45 and name hb2) 1.8 0.0 4.2
assign (resid 44 and name hn)(resid 45 and name hg) 1.8 0.0 4.2
assign (resid 44 and name hn)(resid 45 and name hd1#) 1.8 0.0 4.2
assign (resid 44 and name hn)(resid 45 and name hd2#) 1.8 0.0 4.2

! L45
assign (resid 45 and name hn)(resid 41 and name ha) 1.8 0.0 3.2
assign (resid 45 and name hn)(resid 42 and name ha) 1.8 0.0 2.2
assign (resid 45 and name hn)(resid 43 and name ha) 1.8 0.0 3.2
assign (resid 45 and name hn)(resid 43 and name hb) 1.8 0.0 4.2
assign (resid 45 and name hn)(resid 43 and name hg2#) 1.8 0.0 4.2
assign (resid 45 and name hn)(resid 44 and name ha) 1.8 0.0 2.2
assign (resid 45 and name hn)(resid 44 and name hb1) 1.8 0.0 2.2
assign (resid 45 and name hn)(resid 44 and name hb2) 1.8 0.0 2.2
assign (resid 45 and name hn)(resid 45 and name ha) 1.8 0.0 2.2
assign (resid 45 and name hn)(resid 45 and name hb1) 1.8 0.0 2.2
assign (resid 45 and name hn)(resid 45 and name hb2) 1.8 0.0 2.2
assign (resid 45 and name hn)(resid 45 and name hg) 1.8 0.0 2.2
assign (resid 45 and name hn)(resid 45 and name hd1#) 1.8 0.0 3.2
assign (resid 45 and name hn)(resid 45 and name hd2#) 1.8 0.0 3.2
assign (resid 45 and name hn)(resid 46 and name hn) 1.8 0.0 2.2
assign (resid 45 and name hn)(resid 46 and name ha) 1.8 0.0 4.2

! H46
assign (resid 46 and name hn)(resid 42 and name ha) 1.8 0.0 3.2
assign (resid 46 and name hn)(resid 43 and name ha) 1.8 0.0 2.2
assign (resid 46 and name hn)(resid 43 and name hb) 1.8 0.0 4.2
assign (resid 46 and name hn)(resid 43 and name hg2#) 1.8 0.0 4.2
assign (resid 46 and name hn)(resid 44 and name ha) 1.8 0.0 3.2
assign (resid 46 and name hn)(resid 44 and name hn) 1.8 0.0 3.2
assign (resid 46 and name hn)(resid 45 and name ha) 1.8 0.0 2.2
assign (resid 46 and name hn)(resid 45 and name hb1) 1.8 0.0 2.2
assign (resid 46 and name hn)(resid 45 and name hb2) 1.8 0.0 2.2
assign (resid 46 and name hn)(resid 45 and name hg) 1.8 0.0 3.2
assign (resid 46 and name hn)(resid 45 and name hd1#) 1.8 0.0 4.2
assign (resid 46 and name hn)(resid 45 and name hd2#) 1.8 0.0 4.2
assign (resid 46 and name hn)(resid 46 and name ha) 1.8 0.0 1.2
assign (resid 46 and name hn)(resid 46 and name hb1) 1.8 0.0 2.2
assign (resid 46 and name hn)(resid 46 and name hb2) 1.8 0.0 2.2
assign (resid 46 and name hn)(resid 47 and name hn) 1.8 0.0 2.2

! Q47
assign (resid 47 and name hn)(resid 43 and name ha) 1.8 0.0 4.2
assign (resid 47 and name hn)(resid 43 and name hb) 1.8 0.0 4.2
assign (resid 47 and name hn)(resid 44 and name ha) 1.8 0.0 4.2
assign (resid 47 and name hn)(resid 45 and name ha) 1.8 0.0 4.2
assign (resid 47 and name hn)(resid 45 and name hn) 1.8 0.0 4.2
assign (resid 47 and name hn)(resid 46 and name ha) 1.8 0.0 2.2
assign (resid 47 and name hn)(resid 46 and name hb1) 1.8 0.0 3.2
assign (resid 47 and name hn)(resid 46 and name hb2) 1.8 0.0 3.2
assign (resid 47 and name hn)(resid 47 and name ha) 1.8 0.0 1.2
assign (resid 47 and name hn)(resid 47 and name hb1) 1.8 0.0 2.2
assign (resid 47 and name hn)(resid 47 and name hb2) 1.8 0.0 2.2
assign (resid 47 and name hn)(resid 47 and name hg#) 1.8 0.0 3.2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1  -7.411   5.238  -9.937
    2    H2   ALA   1           H2       ALA   1  -6.366   6.489 -10.414
    3    H3   ALA   1           H3       ALA   1  -5.791   4.894 -10.303
    4    HA   ALA   1           HA       ALA   1  -7.046   6.203 -12.486
    5    HB1  ALA   1           HB1      ALA   1  -6.139   3.346 -12.483
    6    HB2  ALA   1           HB2      ALA   1  -4.945   4.614 -12.211
    7    HB3  ALA   1           HB3      ALA   1  -5.888   4.596 -13.701
    8    H    ASP   2           H        ASP   2  -8.608   4.832 -10.075
    9    HA   ASP   2           HA       ASP   2 -10.589   3.697  -9.794
   10    HB2  ASP   2           HB2      ASP   2 -11.166   5.711 -11.318
   11    HB3  ASP   2           HB3      ASP   2 -11.282   4.512 -12.604
   12    H    ASP   3           H        ASP   3  -8.258   2.378 -11.298
   13    HA   ASP   3           HA       ASP   3  -9.691   0.387 -12.898
   14    HB2  ASP   3           HB2      ASP   3  -7.306   1.513 -13.338
   15    HB3  ASP   3           HB3      ASP   3  -6.773   0.152 -12.353
   16    H    LYS   4           H        LYS   4  -7.613   0.563 -10.020
   17    HA   LYS   4           HA       LYS   4  -8.993  -1.723  -8.868
   18    HB2  LYS   4           HB2      LYS   4  -6.866  -2.398 -10.343
   19    HB3  LYS   4           HB3      LYS   4  -6.025  -1.966  -8.853
   20    HG2  LYS   4           HG2      LYS   4  -7.411  -3.521  -7.576
   21    HG3  LYS   4           HG3      LYS   4  -8.351  -3.905  -9.018
   22    HD2  LYS   4           HD2      LYS   4  -6.587  -5.076 -10.018
   23    HD3  LYS   4           HD3      LYS   4  -5.366  -4.266  -9.037
   24    HE2  LYS   4           HE2      LYS   4  -5.748  -6.630  -8.330
   25    HE3  LYS   4           HE3      LYS   4  -6.102  -5.472  -7.048
   26    HZ1  LYS   4           HZ1      LYS   4  -7.828  -7.177  -7.287
   27    HZ2  LYS   4           HZ2      LYS   4  -8.123  -6.653  -8.876
   28    HZ3  LYS   4           HZ3      LYS   4  -8.432  -5.617  -7.565
   29    H    CYS   5           H        CYS   5  -7.921   1.266  -8.566
   30    HA   CYS   5           HA       CYS   5  -7.164   0.959  -5.721
   31    HB2  CYS   5           HB2      CYS   5  -6.538   3.434  -7.290
   32    HB3  CYS   5           HB3      CYS   5  -5.706   2.757  -5.890
   33    H    GLU   6           H        GLU   6  -8.508   3.460  -7.894
   34    HA   GLU   6           HA       GLU   6 -10.027   4.690  -5.812
   35    HB2  GLU   6           HB2      GLU   6  -9.366   5.251  -8.526
   36    HB3  GLU   6           HB3      GLU   6 -11.123   5.300  -8.384
   37    HG2  GLU   6           HG2      GLU   6 -10.384   7.500  -7.845
   38    HG3  GLU   6           HG3      GLU   6 -10.772   6.743  -6.301
   39    H    ASP   7           H        ASP   7 -10.641   2.179  -8.163
   40    HA   ASP   7           HA       ASP   7 -13.428   2.112  -8.178
   41    HB2  ASP   7           HB2      ASP   7 -11.705   0.698  -9.507
   42    HB3  ASP   7           HB3      ASP   7 -11.778  -0.402  -8.131
   43    H    SER   8           H        SER   8 -11.140   0.560  -5.943
   44    HA   SER   8           HA       SER   8 -13.394  -0.184  -4.195
   45    HB2  SER   8           HB2      SER   8 -10.859  -1.124  -3.234
   46    HB3  SER   8           HB3      SER   8 -12.239  -2.060  -3.800
   47    HG   SER   8           HG       SER   8 -11.179  -2.414  -5.569
   48    H    LEU   9           H        LEU   9 -13.871   1.250  -2.660
   49    HA   LEU   9           HA       LEU   9 -12.039   3.298  -1.837
   50    HB2  LEU   9           HB2      LEU   9 -14.843   2.535  -1.220
   51    HB3  LEU   9           HB3      LEU   9 -13.987   3.479  -0.000
   52    HG   LEU   9           HG       LEU   9 -13.352   5.114  -1.789
   53   HD11  LEU   9          HD11      LEU   9 -13.510   3.662  -3.732
   54   HD12  LEU   9          HD12      LEU   9 -14.666   4.980  -3.921
   55   HD13  LEU   9          HD13      LEU   9 -15.225   3.382  -3.429
   56   HD21  LEU   9          HD21      LEU   9 -15.338   6.289  -1.570
   57   HD22  LEU   9          HD22      LEU   9 -15.573   5.069  -0.319
   58   HD23  LEU   9          HD23      LEU   9 -16.334   4.871  -1.897
   59    H    ARG  10           H        ARG  10 -12.214   0.085  -1.070
   60    HA   ARG  10           HA       ARG  10 -11.411   0.434   1.733
   61    HB2  ARG  10           HB2      ARG  10 -12.488  -1.794   0.104
   62    HB3  ARG  10           HB3      ARG  10 -11.312  -2.239   1.342
   63    HG2  ARG  10           HG2      ARG  10 -13.447  -0.314   2.131
   64    HG3  ARG  10           HG3      ARG  10 -13.927  -1.995   1.895
   65    HD2  ARG  10           HD2      ARG  10 -11.527  -1.259   3.569
   66    HD3  ARG  10           HD3      ARG  10 -13.148  -1.316   4.256
   67    HE   ARG  10           HE       ARG  10 -12.229  -3.693   2.810
   68   HH11  ARG  10          HH21      ARG  10 -12.824  -2.035   5.788
   69   HH12  ARG  10          HH22      ARG  10 -12.840  -3.477   6.748
   70   HH21  ARG  10          HH11      ARG  10 -12.245  -5.588   4.063
   71   HH22  ARG  10          HH12      ARG  10 -12.511  -5.487   5.771
   72    H    ARG  11           H        ARG  11 -10.183  -0.586  -1.398
   73    HA   ARG  11           HA       ARG  11  -7.666  -1.547  -0.396
   74    HB2  ARG  11           HB2      ARG  11  -8.672  -0.841  -3.155
   75    HB3  ARG  11           HB3      ARG  11  -7.021  -1.387  -2.857
   76    HG2  ARG  11           HG2      ARG  11  -7.868  -3.460  -1.846
   77    HG3  ARG  11           HG3      ARG  11  -9.528  -2.914  -2.093
   78    HD2  ARG  11           HD2      ARG  11  -9.350  -3.067  -4.446
   79    HD3  ARG  11           HD3      ARG  11  -7.591  -3.122  -4.395
   80    HE   ARG  11           HE       ARG  11  -8.215  -5.371  -3.074
   81   HH11  ARG  11          HH21      ARG  11  -9.448  -3.974  -5.991
   82   HH12  ARG  11          HH22      ARG  11  -9.853  -5.496  -6.712
   83   HH21  ARG  11          HH11      ARG  11  -8.741  -7.369  -4.014
   84   HH22  ARG  11          HH12      ARG  11  -9.451  -7.418  -5.593
   85    H    GLU  12           H        GLU  12  -8.922   1.502  -1.599
   86    HA   GLU  12           HA       GLU  12  -6.495   2.856  -2.027
   87    HB2  GLU  12           HB2      GLU  12  -8.530   3.829  -2.837
   88    HB3  GLU  12           HB3      GLU  12  -9.231   3.855  -1.219
   89    HG2  GLU  12           HG2      GLU  12  -7.840   5.602  -0.503
   90    HG3  GLU  12           HG3      GLU  12  -6.657   5.308  -1.777
   91    H    ILE  13           H        ILE  13  -8.611   2.828   0.850
   92    HA   ILE  13           HA       ILE  13  -7.111   4.443   2.522
   93    HB   ILE  13           HB       ILE  13  -8.580   1.934   3.363
   94   HG12  ILE  13          HG12      ILE  13  -9.612   4.764   2.977
   95   HG13  ILE  13          HG13      ILE  13  -9.963   3.404   1.909
   96   HG21  ILE  13          HG21      ILE  13  -8.985   3.439   5.406
   97   HG22  ILE  13          HG22      ILE  13  -7.700   4.463   4.764
   98   HG23  ILE  13          HG23      ILE  13  -7.355   2.792   5.212
   99   HD11  ILE  13          HD11      ILE  13 -10.492   2.962   4.798
  100   HD12  ILE  13          HD12      ILE  13 -11.417   2.439   3.391
  101   HD13  ILE  13          HD13      ILE  13 -11.564   4.095   3.977
  102    H    ALA  14           H        ALA  14  -6.475   1.204   1.441
  103    HA   ALA  14           HA       ALA  14  -4.421   0.723   3.446
  104    HB1  ALA  14           HB1      ALA  14  -5.389  -0.857   1.059
  105    HB2  ALA  14           HB2      ALA  14  -5.669  -1.204   2.765
  106    HB3  ALA  14           HB3      ALA  14  -4.052  -1.377   2.084
  107    H    CYS  15           H        CYS  15  -4.564   1.104  -0.099
  108    HA   CYS  15           HA       CYS  15  -1.717   1.193  -0.397
  109    HB2  CYS  15           HB2      CYS  15  -3.973   1.986  -2.252
  110    HB3  CYS  15           HB3      CYS  15  -2.270   1.987  -2.713
  111    H    THR  16           H        THR  16  -4.016   3.417   0.696
  112    HA   THR  16           HA       THR  16  -2.723   5.819  -0.241
  113    HB   THR  16           HB       THR  16  -4.936   5.231   1.713
  114    HG1  THR  16           HG1      THR  16  -6.066   5.727   0.033
  115   HG21  THR  16          HG21      THR  16  -3.353   7.753   1.342
  116   HG22  THR  16          HG22      THR  16  -3.991   7.046   2.827
  117   HG23  THR  16          HG23      THR  16  -5.078   7.854   1.697
  118    H    LYS  17           H        LYS  17  -2.611   3.796   2.623
  119    HA   LYS  17           HA       LYS  17  -0.979   5.687   4.107
  120    HB2  LYS  17           HB2      LYS  17  -1.842   2.845   4.684
  121    HB3  LYS  17           HB3      LYS  17  -0.881   3.831   5.787
  122    HG2  LYS  17           HG2      LYS  17  -2.692   5.540   5.790
  123    HG3  LYS  17           HG3      LYS  17  -3.662   4.480   4.766
  124    HD2  LYS  17           HD2      LYS  17  -3.683   2.757   6.484
  125    HD3  LYS  17           HD3      LYS  17  -2.588   3.703   7.493
  126    HE2  LYS  17           HE2      LYS  17  -4.707   5.445   6.889
  127    HE3  LYS  17           HE3      LYS  17  -5.473   3.898   7.249
  128    HZ1  LYS  17           HZ1      LYS  17  -4.255   5.729   9.022
  129    HZ2  LYS  17           HZ2      LYS  17  -3.454   4.233   9.111
  130    HZ3  LYS  17           HZ3      LYS  17  -5.129   4.320   9.381
  131    H    CYS  18           H        CYS  18  -0.540   3.012   1.960
  132    HA   CYS  18           HA       CYS  18   2.083   2.252   2.773
  133    HB2  CYS  18           HB2      CYS  18   0.542   1.882   0.202
  134    HB3  CYS  18           HB3      CYS  18   2.166   1.239   0.444
  135    H    ARG  19           H        ARG  19   0.813   4.669   0.554
  136    HA   ARG  19           HA       ARG  19   3.363   5.298  -0.619
  137    HB2  ARG  19           HB2      ARG  19   2.207   7.119  -1.697
  138    HB3  ARG  19           HB3      ARG  19   1.150   5.707  -1.733
  139    HG2  ARG  19           HG2      ARG  19  -0.422   7.021  -0.783
  140    HG3  ARG  19           HG3      ARG  19   0.536   6.926   0.692
  141    HD2  ARG  19           HD2      ARG  19   1.744   8.942   0.108
  142    HD3  ARG  19           HD3      ARG  19   0.975   8.994  -1.475
  143    HE   ARG  19           HE       ARG  19  -0.754   9.129   0.896
  144   HH11  ARG  19          HH21      ARG  19   0.789  10.647  -1.806
  145   HH12  ARG  19          HH22      ARG  19  -0.236  12.042  -1.782
  146   HH21  ARG  19          HH11      ARG  19  -2.101  10.953   0.930
  147   HH22  ARG  19          HH12      ARG  19  -1.874  12.215  -0.234
  148    H    ASP  20           H        ASP  20   1.539   6.356   2.161
  149    HA   ASP  20           HA       ASP  20   3.200   8.698   2.608
  150    HB2  ASP  20           HB2      ASP  20   0.805   7.482   3.892
  151    HB3  ASP  20           HB3      ASP  20   1.848   8.475   4.907
  152    H    ARG  21           H        ARG  21   3.282   5.366   3.340
  153    HA   ARG  21           HA       ARG  21   4.719   5.477   5.804
  154    HB2  ARG  21           HB2      ARG  21   3.541   3.480   4.285
  155    HB3  ARG  21           HB3      ARG  21   5.266   3.136   4.145
  156    HG2  ARG  21           HG2      ARG  21   3.900   3.683   6.791
  157    HG3  ARG  21           HG3      ARG  21   4.124   2.059   6.138
  158    HD2  ARG  21           HD2      ARG  21   6.635   2.907   5.869
  159    HD3  ARG  21           HD3      ARG  21   6.159   3.984   7.179
  160    HE   ARG  21           HE       ARG  21   5.344   1.654   8.171
  161   HH11  ARG  21          HH21      ARG  21   8.231   2.487   6.450
  162   HH12  ARG  21          HH22      ARG  21   9.206   1.287   7.231
  163   HH21  ARG  21          HH11      ARG  21   6.616   0.081   9.196
  164   HH22  ARG  21          HH12      ARG  21   8.291  -0.075   8.785
  165    H    VAL  22           H        VAL  22   5.745   4.874   2.439
  166    HA   VAL  22           HA       VAL  22   8.541   5.287   3.230
  167    HB   VAL  22           HB       VAL  22   7.399   4.457   0.553
  168   HG11  VAL  22          HG11      VAL  22  10.061   5.146   1.526
  169   HG12  VAL  22          HG12      VAL  22   9.513   4.868  -0.127
  170   HG13  VAL  22          HG13      VAL  22  10.005   3.505   0.879
  171   HG21  VAL  22          HG21      VAL  22   6.921   2.547   1.706
  172   HG22  VAL  22          HG22      VAL  22   7.972   2.984   3.054
  173   HG23  VAL  22          HG23      VAL  22   8.659   2.266   1.597
  174    H    ARG  23           H        ARG  23   6.005   7.161   2.304
  175    HA   ARG  23           HA       ARG  23   5.774   9.230   1.334
  176    HB2  ARG  23           HB2      ARG  23   8.590   9.294   2.404
  177    HB3  ARG  23           HB3      ARG  23   7.868  10.689   1.606
  178    HG2  ARG  23           HG2      ARG  23   5.929  10.497   3.215
  179    HG3  ARG  23           HG3      ARG  23   6.864   9.284   4.091
  180    HD2  ARG  23           HD2      ARG  23   8.602  10.859   4.589
  181    HD3  ARG  23           HD3      ARG  23   7.927  12.049   3.480
  182    HE   ARG  23           HE       ARG  23   6.972  11.440   6.168
  183   HH11  ARG  23          HH21      ARG  23   6.421  12.922   3.090
  184   HH12  ARG  23          HH22      ARG  23   5.224  14.026   3.680
  185   HH21  ARG  23          HH11      ARG  23   5.399  12.883   6.949
  186   HH22  ARG  23          HH12      ARG  23   4.643  14.001   5.865
  187    H    THR  24           H        THR  24   6.434   7.072  -0.439
  188    HA   THR  24           HA       THR  24   7.819   8.600  -2.555
  189    HB   THR  24           HB       THR  24   8.016   5.607  -2.155
  190    HG1  THR  24           HG1      THR  24  10.320   6.495  -1.790
  191   HG21  THR  24          HG21      THR  24   8.618   7.394  -4.333
  192   HG22  THR  24          HG22      THR  24   8.798   5.641  -4.261
  193   HG23  THR  24          HG23      THR  24  10.113   6.684  -3.721
  194    H    ASP  25           H        ASP  25   6.485   8.998  -4.186
  195    HA   ASP  25           HA       ASP  25   3.895   7.998  -4.451
  196    HB2  ASP  25           HB2      ASP  25   5.773   9.511  -6.169
  197    HB3  ASP  25           HB3      ASP  25   4.458   8.686  -7.003
  198    H    ASP  26           H        ASP  26   6.872   6.491  -5.171
  199    HA   ASP  26           HA       ASP  26   5.891   4.738  -7.241
  200    HB2  ASP  26           HB2      ASP  26   8.386   5.488  -6.441
  201    HB3  ASP  26           HB3      ASP  26   8.258   3.894  -5.700
  202    H    TYR  27           H        TYR  27   5.859   4.787  -3.792
  203    HA   TYR  27           HA       TYR  27   5.557   1.945  -3.430
  204    HB2  TYR  27           HB2      TYR  27   5.966   4.208  -1.761
  205    HB3  TYR  27           HB3      TYR  27   4.472   3.436  -1.233
  206    HD1  TYR  27           HD1      TYR  27   7.987   2.591  -2.236
  207    HD2  TYR  27           HD2      TYR  27   4.579   1.570   0.171
  208    HE1  TYR  27           HE1      TYR  27   9.299   0.793  -1.140
  209    HE2  TYR  27           HE2      TYR  27   5.890  -0.227   1.267
  210    HH   TYR  27           HH       TYR  27   9.282  -0.488   0.938
  211    H    PHE  28           H        PHE  28   3.449   4.664  -4.003
  212    HA   PHE  28           HA       PHE  28   1.008   3.550  -3.134
  213    HB2  PHE  28           HB2      PHE  28   1.703   5.972  -4.043
  214    HB3  PHE  28           HB3      PHE  28   1.023   5.314  -5.531
  215    HD1  PHE  28           HD1      PHE  28  -1.149   3.633  -4.729
  216    HD2  PHE  28           HD2      PHE  28   0.136   7.349  -3.005
  217    HE1  PHE  28           HE1      PHE  28  -3.436   4.016  -3.851
  218    HE2  PHE  28           HE2      PHE  28  -2.150   7.733  -2.127
  219    HZ   PHE  28           HZ       PHE  28  -3.937   6.066  -2.549
  220    H    TYR  29           H        TYR  29   2.132   3.920  -6.499
  221    HA   TYR  29           HA       TYR  29   0.243   2.248  -7.683
  222    HB2  TYR  29           HB2      TYR  29   1.741   3.780  -8.927
  223    HB3  TYR  29           HB3      TYR  29   3.098   2.710  -8.580
  224    HD1  TYR  29           HD1      TYR  29  -0.439   2.347  -9.801
  225    HD2  TYR  29           HD2      TYR  29   3.690   1.279 -10.310
  226    HE1  TYR  29           HE1      TYR  29  -1.043   0.947 -11.757
  227    HE2  TYR  29           HE2      TYR  29   3.087  -0.121 -12.265
  228    HH   TYR  29           HH       TYR  29   1.400  -0.474 -13.822
  229    H    GLU  30           H        GLU  30   3.252   1.476  -6.058
  230    HA   GLU  30           HA       GLU  30   3.458  -1.216  -6.966
  231    HB2  GLU  30           HB2      GLU  30   4.702   0.427  -4.810
  232    HB3  GLU  30           HB3      GLU  30   4.818  -1.329  -4.681
  233    HG2  GLU  30           HG2      GLU  30   5.684  -1.371  -7.045
  234    HG3  GLU  30           HG3      GLU  30   5.734   0.391  -7.001
  235    H    CYS  31           H        CYS  31   1.289   0.295  -4.867
  236    HA   CYS  31           HA       CYS  31   0.814  -2.095  -3.245
  237    HB2  CYS  31           HB2      CYS  31   0.753   0.062  -2.105
  238    HB3  CYS  31           HB3      CYS  31  -0.493   0.635  -3.214
  239    H    CYS  32           H        CYS  32  -0.579  -0.309  -5.914
  240    HA   CYS  32           HA       CYS  32  -3.062  -1.822  -5.850
  241    HB2  CYS  32           HB2      CYS  32  -2.249   0.649  -6.928
  242    HB3  CYS  32           HB3      CYS  32  -2.643  -0.377  -8.307
  243    H    THR  33           H        THR  33  -0.044  -2.655  -6.690
  244    HA   THR  33           HA       THR  33  -0.996  -4.445  -8.843
  245    HB   THR  33           HB       THR  33   1.711  -4.161  -9.316
  246    HG1  THR  33           HG1      THR  33   1.163  -2.204  -7.806
  247   HG21  THR  33          HG21      THR  33   0.789  -2.554 -11.172
  248   HG22  THR  33          HG22      THR  33  -0.786  -2.992 -10.509
  249   HG23  THR  33          HG23      THR  33   0.277  -4.241 -11.158
  250    H    SER  34           H        SER  34   0.762  -6.245  -9.166
  251    HA   SER  34           HA       SER  34   1.598  -8.198  -8.286
  252    HB2  SER  34           HB2      SER  34   3.567  -6.964  -7.843
  253    HB3  SER  34           HB3      SER  34   2.818  -6.089  -6.511
  254    HG   SER  34           HG       SER  34   3.942  -8.610  -6.596
  255    H    GLU  35           H        GLU  35   1.769  -9.555  -6.228
  256    HA   GLU  35           HA       GLU  35  -0.684  -9.128  -4.638
  257    HB2  GLU  35           HB2      GLU  35  -0.748 -11.176  -5.947
  258    HB3  GLU  35           HB3      GLU  35   0.813 -11.676  -5.295
  259    HG2  GLU  35           HG2      GLU  35  -0.070 -12.279  -3.270
  260    HG3  GLU  35           HG3      GLU  35  -1.282 -10.999  -3.301
  261    H    SER  36           H        SER  36   2.726 -10.070  -4.458
  262    HA   SER  36           HA       SER  36   2.844 -10.515  -1.675
  263    HB2  SER  36           HB2      SER  36   5.347  -9.593  -2.296
  264    HB3  SER  36           HB3      SER  36   4.806 -11.255  -2.516
  265    HG   SER  36           HG       SER  36   5.723  -9.892  -4.382
  266    H    THR  37           H        THR  37   3.717  -7.619  -3.573
  267    HA   THR  37           HA       THR  37   4.349  -5.946  -1.421
  268    HB   THR  37           HB       THR  37   3.078  -5.136  -4.047
  269    HG1  THR  37           HG1      THR  37   4.861  -5.960  -4.780
  270   HG21  THR  37          HG21      THR  37   4.761  -3.144  -3.423
  271   HG22  THR  37          HG22      THR  37   4.384  -3.695  -1.790
  272   HG23  THR  37          HG23      THR  37   3.089  -3.166  -2.863
  273    H    PHE  38           H        PHE  38   1.276  -6.951  -2.718
  274    HA   PHE  38           HA       PHE  38  -0.316  -4.929  -1.471
  275    HB2  PHE  38           HB2      PHE  38  -0.806  -6.744  -3.405
  276    HB3  PHE  38           HB3      PHE  38  -1.515  -7.583  -2.026
  277    HD1  PHE  38           HD2      PHE  38  -2.754  -5.720  -0.357
  278    HD2  PHE  38           HD1      PHE  38  -2.357  -5.523  -4.630
  279    HE1  PHE  38           HE2      PHE  38  -4.737  -4.235  -0.473
  280    HE2  PHE  38           HE1      PHE  38  -4.341  -4.038  -4.746
  281    HZ   PHE  38           HZ       PHE  38  -5.530  -3.395  -2.667
  282    H    LYS  39           H        LYS  39   0.573  -8.260  -0.622
  283    HA   LYS  39           HA       LYS  39  -0.927  -8.230   1.838
  284    HB2  LYS  39           HB2      LYS  39   0.719 -10.141   0.333
  285    HB3  LYS  39           HB3      LYS  39   0.872 -10.289   2.084
  286    HG2  LYS  39           HG2      LYS  39  -0.968 -11.698   1.299
  287    HG3  LYS  39           HG3      LYS  39  -1.608 -10.370   2.269
  288    HD2  LYS  39           HD2      LYS  39  -1.908  -9.104   0.059
  289    HD3  LYS  39           HD3      LYS  39  -1.624 -10.651  -0.740
  290    HE2  LYS  39           HE2      LYS  39  -3.707 -10.314   1.425
  291    HE3  LYS  39           HE3      LYS  39  -4.071 -10.057  -0.282
  292    HZ1  LYS  39           HZ1      LYS  39  -2.905 -12.376  -0.494
  293    HZ2  LYS  39           HZ2      LYS  39  -4.550 -12.259  -0.088
  294    HZ3  LYS  39           HZ3      LYS  39  -3.390 -12.535   1.123
  295    H    LYS  40           H        LYS  40   2.351  -7.508   0.852
  296    HA   LYS  40           HA       LYS  40   3.491  -7.545   3.476
  297    HB2  LYS  40           HB2      LYS  40   4.375  -6.411   0.828
  298    HB3  LYS  40           HB3      LYS  40   5.315  -6.173   2.301
  299    HG2  LYS  40           HG2      LYS  40   4.528  -8.942   2.085
  300    HG3  LYS  40           HG3      LYS  40   5.339  -8.435   0.604
  301    HD2  LYS  40           HD2      LYS  40   7.308  -7.825   1.744
  302    HD3  LYS  40           HD3      LYS  40   6.488  -7.747   3.303
  303    HE2  LYS  40           HE2      LYS  40   6.632 -10.002   3.644
  304    HE3  LYS  40           HE3      LYS  40   6.393 -10.376   1.937
  305    HZ1  LYS  40           HZ1      LYS  40   8.577 -10.389   1.561
  306    HZ2  LYS  40           HZ2      LYS  40   8.751 -10.511   3.246
  307    HZ3  LYS  40           HZ3      LYS  40   8.855  -8.995   2.486
  308    H    CYS  41           H        CYS  41   1.685  -5.224   1.632
  309    HA   CYS  41           HA       CYS  41   2.518  -2.847   2.902
  310    HB2  CYS  41           HB2      CYS  41   0.451  -3.659   1.068
  311    HB3  CYS  41           HB3      CYS  41  -0.226  -2.586   2.293
  312    H    GLN  42           H        GLN  42  -0.438  -4.763   3.508
  313    HA   GLN  42           HA       GLN  42  -1.329  -3.446   5.772
  314    HB2  GLN  42           HB2      GLN  42  -2.081  -5.710   4.378
  315    HB3  GLN  42           HB3      GLN  42  -1.643  -6.347   5.964
  316    HG2  GLN  42           HG2      GLN  42  -3.085  -4.558   6.996
  317    HG3  GLN  42           HG3      GLN  42  -3.631  -4.139   5.373
  318   HE21  GLN  42          HE21      GLN  42  -2.977  -7.481   5.611
  319   HE22  GLN  42          HE22      GLN  42  -4.571  -8.013   5.854
  320    H    THR  43           H        THR  43   0.748  -6.352   5.690
  321    HA   THR  43           HA       THR  43   1.203  -6.597   8.421
  322    HB   THR  43           HB       THR  43   3.438  -7.123   6.501
  323    HG1  THR  43           HG1      THR  43   0.850  -8.003   6.301
  324   HG21  THR  43          HG21      THR  43   3.431  -7.695   8.992
  325   HG22  THR  43          HG22      THR  43   3.792  -9.026   7.892
  326   HG23  THR  43          HG23      THR  43   2.188  -8.887   8.611
  327    H    MET  44           H        MET  44   2.547  -4.346   6.121
  328    HA   MET  44           HA       MET  44   4.688  -3.471   7.856
  329    HB2  MET  44           HB2      MET  44   3.928  -3.097   5.117
  330    HB3  MET  44           HB3      MET  44   4.129  -1.515   5.870
  331    HG2  MET  44           HG2      MET  44   6.253  -2.446   4.898
  332    HG3  MET  44           HG3      MET  44   6.360  -2.088   6.621
  333    HE1  MET  44           HE1      MET  44   7.064  -4.391   3.927
  334    HE2  MET  44           HE2      MET  44   7.879  -5.663   4.833
  335    HE3  MET  44           HE3      MET  44   8.377  -3.986   5.040
  336    H    LEU  45           H        LEU  45   1.350  -2.756   7.427
  337    HA   LEU  45           HA       LEU  45   1.489  -0.117   8.630
  338    HB2  LEU  45           HB2      LEU  45  -0.709  -1.880   7.598
  339    HB3  LEU  45           HB3      LEU  45  -1.096  -0.504   8.632
  340    HG   LEU  45           HG       LEU  45   0.703  -0.191   6.231
  341   HD11  LEU  45          HD11      LEU  45  -2.236   0.437   6.138
  342   HD12  LEU  45          HD12      LEU  45  -1.679  -1.192   5.758
  343   HD13  LEU  45          HD13      LEU  45  -1.113   0.178   4.803
  344   HD21  LEU  45          HD21      LEU  45   0.022   1.489   8.308
  345   HD22  LEU  45          HD22      LEU  45  -1.147   1.942   7.067
  346   HD23  LEU  45          HD23      LEU  45   0.581   2.025   6.723
  347    H    HIS  46           H        HIS  46   0.468  -3.383   9.547
  348    HA   HIS  46           HA       HIS  46  -0.160  -2.496  12.261
  349    HB2  HIS  46           HB2      HIS  46  -1.473  -4.255  10.848
  350    HB3  HIS  46           HB3      HIS  46  -0.194  -5.358  11.355
  351    HD1  HIS  46           HD1      HIS  46   0.129  -5.640  13.998
  352    HD2  HIS  46           HD2      HIS  46  -3.364  -3.688  12.827
  353    HE1  HIS  46           HE1      HIS  46  -1.401  -5.636  16.016
  354    H    GLN  47           H        GLN  47   2.311  -4.213  10.483
  355    HA   GLN  47           HA       GLN  47   4.179  -5.400  11.239
  356    HB2  GLN  47           HB2      GLN  47   5.702  -3.838  12.450
  357    HB3  GLN  47           HB3      GLN  47   4.964  -3.115  11.020
  358    HG2  GLN  47           HG2      GLN  47   3.405  -1.876  12.322
  359    HG3  GLN  47           HG3      GLN  47   3.752  -2.819  13.771
  360   HE21  GLN  47          HE21      GLN  47   6.168  -1.460  11.501
  361   HE22  GLN  47          HE22      GLN  47   6.882  -0.425  12.642
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1  -6.218   7.221 -11.101
    2    H2   ALA   1           H2       ALA   1  -6.294   5.541 -10.859
    3    H3   ALA   1           H3       ALA   1  -7.496   6.552 -10.210
    4    HA   ALA   1           HA       ALA   1  -8.190   7.176 -12.454
    5    HB1  ALA   1           HB1      ALA   1  -7.236   6.122 -14.366
    6    HB2  ALA   1           HB2      ALA   1  -6.370   4.945 -13.378
    7    HB3  ALA   1           HB3      ALA   1  -5.862   6.634 -13.387
    8    H    ASP   2           H        ASP   2  -8.952   5.616 -10.183
    9    HA   ASP   2           HA       ASP   2 -10.119   3.686  -9.564
   10    HB2  ASP   2           HB2      ASP   2 -11.758   4.321 -12.000
   11    HB3  ASP   2           HB3      ASP   2 -12.299   3.828 -10.396
   12    H    ASP   3           H        ASP   3  -7.890   3.004 -11.234
   13    HA   ASP   3           HA       ASP   3  -8.771   1.159 -13.260
   14    HB2  ASP   3           HB2      ASP   3  -6.536   2.398 -13.195
   15    HB3  ASP   3           HB3      ASP   3  -6.045   1.225 -11.974
   16    H    LYS   4           H        LYS   4  -7.169   0.759 -10.098
   17    HA   LYS   4           HA       LYS   4  -8.746  -1.609  -9.545
   18    HB2  LYS   4           HB2      LYS   4  -6.682  -2.273 -10.989
   19    HB3  LYS   4           HB3      LYS   4  -5.762  -1.973  -9.514
   20    HG2  LYS   4           HG2      LYS   4  -6.884  -3.676  -8.324
   21    HG3  LYS   4           HG3      LYS   4  -8.211  -3.733  -9.485
   22    HD2  LYS   4           HD2      LYS   4  -6.801  -4.735 -11.163
   23    HD3  LYS   4           HD3      LYS   4  -5.360  -4.486 -10.176
   24    HE2  LYS   4           HE2      LYS   4  -6.494  -6.846 -10.194
   25    HE3  LYS   4           HE3      LYS   4  -5.949  -6.169  -8.659
   26    HZ1  LYS   4           HZ1      LYS   4  -8.129  -5.503  -8.121
   27    HZ2  LYS   4           HZ2      LYS   4  -8.263  -7.101  -8.685
   28    HZ3  LYS   4           HZ3      LYS   4  -8.704  -5.802  -9.688
   29    H    CYS   5           H        CYS   5  -7.541   1.175  -8.575
   30    HA   CYS   5           HA       CYS   5  -7.307   0.292  -5.770
   31    HB2  CYS   5           HB2      CYS   5  -5.327   1.732  -7.388
   32    HB3  CYS   5           HB3      CYS   5  -5.706   2.524  -5.859
   33    H    GLU   6           H        GLU   6  -7.518   3.260  -7.771
   34    HA   GLU   6           HA       GLU   6  -8.889   4.748  -5.770
   35    HB2  GLU   6           HB2      GLU   6  -7.682   5.362  -8.169
   36    HB3  GLU   6           HB3      GLU   6  -9.394   5.577  -8.538
   37    HG2  GLU   6           HG2      GLU   6  -9.611   6.988  -6.483
   38    HG3  GLU   6           HG3      GLU   6  -7.867   6.858  -6.254
   39    H    ASP   7           H        ASP   7  -9.896   2.118  -7.437
   40    HA   ASP   7           HA       ASP   7 -12.640   2.992  -7.915
   41    HB2  ASP   7           HB2      ASP   7 -12.982   0.758  -8.813
   42    HB3  ASP   7           HB3      ASP   7 -11.509   1.444  -9.498
   43    H    SER   8           H        SER   8 -10.827   0.835  -5.773
   44    HA   SER   8           HA       SER   8 -13.264   0.335  -4.202
   45    HB2  SER   8           HB2      SER   8 -10.548  -0.985  -4.240
   46    HB3  SER   8           HB3      SER   8 -11.767  -1.337  -3.020
   47    HG   SER   8           HG       SER   8 -13.061  -2.190  -4.545
   48    H    LEU   9           H        LEU   9 -13.572   1.237  -2.253
   49    HA   LEU   9           HA       LEU   9 -11.635   3.174  -1.294
   50    HB2  LEU   9           HB2      LEU   9 -14.411   2.975  -1.206
   51    HB3  LEU   9           HB3      LEU   9 -13.905   2.684   0.459
   52    HG   LEU   9           HG       LEU   9 -12.389   4.743   0.182
   53   HD11  LEU   9          HD11      LEU   9 -12.349   5.152  -2.128
   54   HD12  LEU   9          HD12      LEU   9 -13.510   6.347  -1.551
   55   HD13  LEU   9          HD13      LEU   9 -14.080   4.859  -2.307
   56   HD21  LEU   9          HD21      LEU   9 -15.302   5.457  -0.071
   57   HD22  LEU   9          HD22      LEU   9 -14.086   6.130   1.014
   58   HD23  LEU   9          HD23      LEU   9 -14.747   4.524   1.318
   59    H    ARG  10           H        ARG  10 -11.900  -0.076  -0.976
   60    HA   ARG  10           HA       ARG  10 -11.085  -0.136   1.853
   61    HB2  ARG  10           HB2      ARG  10 -11.311  -2.691   0.408
   62    HB3  ARG  10           HB3      ARG  10 -11.987  -2.211   1.965
   63    HG2  ARG  10           HG2      ARG  10 -13.614  -0.745   0.601
   64    HG3  ARG  10           HG3      ARG  10 -13.096  -1.691  -0.794
   65    HD2  ARG  10           HD2      ARG  10 -13.935  -3.705   0.111
   66    HD3  ARG  10           HD3      ARG  10 -14.036  -3.034   1.737
   67    HE   ARG  10           HE       ARG  10 -16.066  -2.902  -0.248
   68   HH11  ARG  10          HH21      ARG  10 -14.481  -1.044   2.204
   69   HH12  ARG  10          HH22      ARG  10 -15.855  -0.040   2.524
   70   HH21  ARG  10          HH11      ARG  10 -17.873  -1.590   0.170
   71   HH22  ARG  10          HH12      ARG  10 -17.775  -0.349   1.375
   72    H    ARG  11           H        ARG  11  -9.933  -0.608  -1.390
   73    HA   ARG  11           HA       ARG  11  -7.392  -1.730  -0.435
   74    HB2  ARG  11           HB2      ARG  11  -8.214  -1.193  -3.294
   75    HB3  ARG  11           HB3      ARG  11  -6.928  -2.255  -2.721
   76    HG2  ARG  11           HG2      ARG  11  -9.158  -3.211  -1.386
   77    HG3  ARG  11           HG3      ARG  11  -9.802  -2.778  -2.968
   78    HD2  ARG  11           HD2      ARG  11  -7.276  -4.408  -2.655
   79    HD3  ARG  11           HD3      ARG  11  -8.870  -5.153  -2.724
   80    HE   ARG  11           HE       ARG  11  -8.767  -3.492  -4.924
   81   HH11  ARG  11          HH21      ARG  11  -6.891  -6.096  -3.627
   82   HH12  ARG  11          HH22      ARG  11  -6.372  -6.674  -5.175
   83   HH21  ARG  11          HH11      ARG  11  -8.089  -4.247  -6.956
   84   HH22  ARG  11          HH12      ARG  11  -7.051  -5.630  -7.058
   85    H    GLU  12           H        GLU  12  -8.820   1.236  -1.183
   86    HA   GLU  12           HA       GLU  12  -6.424   2.549  -2.156
   87    HB2  GLU  12           HB2      GLU  12  -8.928   3.132  -2.653
   88    HB3  GLU  12           HB3      GLU  12  -8.834   4.008  -1.124
   89    HG2  GLU  12           HG2      GLU  12  -6.660   5.039  -2.100
   90    HG3  GLU  12           HG3      GLU  12  -7.267   4.470  -3.654
   91    H    ILE  13           H        ILE  13  -8.410   2.665   0.804
   92    HA   ILE  13           HA       ILE  13  -6.755   4.457   2.223
   93    HB   ILE  13           HB       ILE  13  -8.546   2.276   3.323
   94   HG12  ILE  13          HG12      ILE  13  -9.101   5.175   2.610
   95   HG13  ILE  13          HG13      ILE  13  -9.756   3.759   1.786
   96   HG21  ILE  13          HG21      ILE  13  -8.662   3.821   5.288
   97   HG22  ILE  13          HG22      ILE  13  -7.430   4.828   4.526
   98   HG23  ILE  13          HG23      ILE  13  -7.042   3.179   5.017
   99   HD11  ILE  13          HD11      ILE  13 -10.644   5.037   4.259
  100   HD12  ILE  13          HD12      ILE  13 -10.377   3.306   4.462
  101   HD13  ILE  13          HD13      ILE  13 -11.493   3.888   3.227
  102    H    ALA  14           H        ALA  14  -6.468   1.093   1.499
  103    HA   ALA  14           HA       ALA  14  -4.469   0.624   3.576
  104    HB1  ALA  14           HB1      ALA  14  -6.156  -1.020   1.857
  105    HB2  ALA  14           HB2      ALA  14  -5.396  -1.419   3.397
  106    HB3  ALA  14           HB3      ALA  14  -4.486  -1.585   1.895
  107    H    CYS  15           H        CYS  15  -4.621   1.683   0.336
  108    HA   CYS  15           HA       CYS  15  -1.762   1.054  -0.068
  109    HB2  CYS  15           HB2      CYS  15  -4.016   1.525  -2.013
  110    HB3  CYS  15           HB3      CYS  15  -2.325   1.626  -2.504
  111    H    THR  16           H        THR  16  -3.909   3.517   0.715
  112    HA   THR  16           HA       THR  16  -2.379   5.660  -0.540
  113    HB   THR  16           HB       THR  16  -4.796   5.679   1.281
  114    HG1  THR  16           HG1      THR  16  -5.833   5.618  -0.530
  115   HG21  THR  16          HG21      THR  16  -4.694   8.156   0.175
  116   HG22  THR  16          HG22      THR  16  -2.972   7.823   0.358
  117   HG23  THR  16          HG23      THR  16  -4.034   7.775   1.766
  118    H    LYS  17           H        LYS  17  -2.744   4.094   2.557
  119    HA   LYS  17           HA       LYS  17  -1.286   6.133   4.010
  120    HB2  LYS  17           HB2      LYS  17  -2.572   3.520   4.663
  121    HB3  LYS  17           HB3      LYS  17  -1.306   4.112   5.739
  122    HG2  LYS  17           HG2      LYS  17  -3.702   5.759   4.880
  123    HG3  LYS  17           HG3      LYS  17  -3.614   4.860   6.396
  124    HD2  LYS  17           HD2      LYS  17  -1.268   6.210   6.522
  125    HD3  LYS  17           HD3      LYS  17  -2.234   7.363   5.601
  126    HE2  LYS  17           HE2      LYS  17  -2.544   7.879   7.933
  127    HE3  LYS  17           HE3      LYS  17  -4.032   7.125   7.362
  128    HZ1  LYS  17           HZ1      LYS  17  -3.016   6.303   9.543
  129    HZ2  LYS  17           HZ2      LYS  17  -1.877   5.508   8.564
  130    HZ3  LYS  17           HZ3      LYS  17  -3.530   5.141   8.418
  131    H    CYS  18           H        CYS  18  -0.558   3.319   2.169
  132    HA   CYS  18           HA       CYS  18   1.900   2.596   3.404
  133    HB2  CYS  18           HB2      CYS  18   0.453   1.926   0.922
  134    HB3  CYS  18           HB3      CYS  18   2.208   1.784   0.823
  135    H    ARG  19           H        ARG  19   1.144   4.599   0.554
  136    HA   ARG  19           HA       ARG  19   3.899   5.322   0.144
  137    HB2  ARG  19           HB2      ARG  19   2.547   5.338  -1.802
  138    HB3  ARG  19           HB3      ARG  19   1.296   6.305  -1.023
  139    HG2  ARG  19           HG2      ARG  19   4.050   7.457  -1.158
  140    HG3  ARG  19           HG3      ARG  19   3.116   7.407  -2.652
  141    HD2  ARG  19           HD2      ARG  19   1.530   8.355  -0.383
  142    HD3  ARG  19           HD3      ARG  19   2.939   9.365  -0.685
  143    HE   ARG  19           HE       ARG  19   1.532   8.757  -3.108
  144   HH11  ARG  19          HH21      ARG  19   1.536  10.720  -0.256
  145   HH12  ARG  19          HH22      ARG  19   0.679  12.032  -0.993
  146   HH21  ARG  19          HH11      ARG  19   0.412  10.474  -4.078
  147   HH22  ARG  19          HH12      ARG  19   0.043  11.894  -3.156
  148    H    ASP  20           H        ASP  20   1.031   6.961   1.456
  149    HA   ASP  20           HA       ASP  20   1.990   9.474   1.931
  150    HB2  ASP  20           HB2      ASP  20  -0.295   8.513   2.543
  151    HB3  ASP  20           HB3      ASP  20   0.456   7.946   4.034
  152    H    ARG  21           H        ARG  21   2.834   6.509   3.610
  153    HA   ARG  21           HA       ARG  21   4.277   7.836   5.726
  154    HB2  ARG  21           HB2      ARG  21   3.218   5.476   5.768
  155    HB3  ARG  21           HB3      ARG  21   4.670   4.967   4.905
  156    HG2  ARG  21           HG2      ARG  21   5.321   4.658   7.124
  157    HG3  ARG  21           HG3      ARG  21   5.919   6.286   6.805
  158    HD2  ARG  21           HD2      ARG  21   3.936   7.262   7.829
  159    HD3  ARG  21           HD3      ARG  21   3.228   5.665   8.052
  160    HE   ARG  21           HE       ARG  21   5.323   6.872   9.663
  161   HH11  ARG  21          HH21      ARG  21   3.702   3.991   8.638
  162   HH12  ARG  21          HH22      ARG  21   4.152   3.075  10.038
  163   HH21  ARG  21          HH11      ARG  21   5.917   5.677  11.499
  164   HH22  ARG  21          HH12      ARG  21   5.407   4.030  11.658
  165    H    VAL  22           H        VAL  22   5.176   6.016   2.800
  166    HA   VAL  22           HA       VAL  22   7.983   6.671   3.120
  167    HB   VAL  22           HB       VAL  22   6.707   5.484   0.661
  168   HG11  VAL  22          HG11      VAL  22   9.102   6.136   0.590
  169   HG12  VAL  22          HG12      VAL  22   8.895   4.389   0.466
  170   HG13  VAL  22          HG13      VAL  22   9.408   5.112   1.991
  171   HG21  VAL  22          HG21      VAL  22   7.167   4.282   3.373
  172   HG22  VAL  22          HG22      VAL  22   7.413   3.280   1.943
  173   HG23  VAL  22          HG23      VAL  22   5.838   4.012   2.246
  174    H    ARG  23           H        ARG  23   5.309   8.307   2.019
  175    HA   ARG  23           HA       ARG  23   4.958  10.033   0.508
  176    HB2  ARG  23           HB2      ARG  23   7.680  10.861   1.534
  177    HB3  ARG  23           HB3      ARG  23   6.385  11.913   0.960
  178    HG2  ARG  23           HG2      ARG  23   4.963  11.262   2.825
  179    HG3  ARG  23           HG3      ARG  23   6.153  10.076   3.362
  180    HD2  ARG  23           HD2      ARG  23   7.268  11.650   4.515
  181    HD3  ARG  23           HD3      ARG  23   7.421  12.649   3.072
  182    HE   ARG  23           HE       ARG  23   5.757  13.983   3.953
  183   HH11  ARG  23          HH21      ARG  23   5.503  10.766   5.205
  184   HH12  ARG  23          HH22      ARG  23   4.168  11.129   6.247
  185   HH21  ARG  23          HH11      ARG  23   4.004  14.465   5.314
  186   HH22  ARG  23          HH12      ARG  23   3.318  13.224   6.309
  187    H    THR  24           H        THR  24   5.801   7.892  -0.950
  188    HA   THR  24           HA       THR  24   7.447   9.200  -3.008
  189    HB   THR  24           HB       THR  24   7.901   6.298  -2.425
  190    HG1  THR  24           HG1      THR  24   9.601   6.953  -1.048
  191   HG21  THR  24          HG21      THR  24   9.940   8.321  -3.285
  192   HG22  THR  24          HG22      THR  24   8.743   7.759  -4.453
  193   HG23  THR  24          HG23      THR  24   9.833   6.606  -3.683
  194    H    ASP  25           H        ASP  25   6.130   9.310  -4.705
  195    HA   ASP  25           HA       ASP  25   3.798   7.959  -5.197
  196    HB2  ASP  25           HB2      ASP  25   5.835   9.226  -6.984
  197    HB3  ASP  25           HB3      ASP  25   4.521   8.304  -7.714
  198    H    ASP  26           H        ASP  26   7.072   6.836  -5.688
  199    HA   ASP  26           HA       ASP  26   6.496   4.630  -7.374
  200    HB2  ASP  26           HB2      ASP  26   8.767   5.198  -5.467
  201    HB3  ASP  26           HB3      ASP  26   8.710   3.765  -6.492
  202    H    TYR  27           H        TYR  27   6.158   5.136  -3.950
  203    HA   TYR  27           HA       TYR  27   6.032   2.328  -3.291
  204    HB2  TYR  27           HB2      TYR  27   6.227   4.780  -1.852
  205    HB3  TYR  27           HB3      TYR  27   4.789   3.933  -1.285
  206    HD1  TYR  27           HD1      TYR  27   8.427   3.446  -1.993
  207    HD2  TYR  27           HD2      TYR  27   4.972   2.079   0.163
  208    HE1  TYR  27           HE1      TYR  27   9.851   1.877  -0.702
  209    HE2  TYR  27           HE2      TYR  27   6.396   0.512   1.453
  210    HH   TYR  27           HH       TYR  27   9.917   0.342   0.890
  211    H    PHE  28           H        PHE  28   3.698   4.972  -3.701
  212    HA   PHE  28           HA       PHE  28   1.354   3.708  -2.966
  213    HB2  PHE  28           HB2      PHE  28   1.884   6.122  -3.973
  214    HB3  PHE  28           HB3      PHE  28   1.296   5.355  -5.448
  215    HD1  PHE  28           HD1      PHE  28  -0.811   3.618  -4.737
  216    HD2  PHE  28           HD2      PHE  28   0.225   7.374  -2.930
  217    HE1  PHE  28           HE1      PHE  28  -3.146   3.880  -3.944
  218    HE2  PHE  28           HE2      PHE  28  -2.109   7.636  -2.136
  219    HZ   PHE  28           HZ       PHE  28  -3.795   5.889  -2.642
  220    H    TYR  29           H        TYR  29   2.839   3.722  -6.212
  221    HA   TYR  29           HA       TYR  29   0.933   1.949  -7.353
  222    HB2  TYR  29           HB2      TYR  29   2.886   3.535  -8.374
  223    HB3  TYR  29           HB3      TYR  29   3.657   1.953  -8.498
  224    HD1  TYR  29           HD1      TYR  29   2.658   0.159  -9.847
  225    HD2  TYR  29           HD2      TYR  29   0.878   4.062  -9.639
  226    HE1  TYR  29           HE1      TYR  29   1.249  -0.380 -11.816
  227    HE2  TYR  29           HE2      TYR  29  -0.530   3.525 -11.609
  228    HH   TYR  29           HH       TYR  29  -1.398   1.584 -12.771
  229    H    GLU  30           H        GLU  30   3.582   1.461  -5.254
  230    HA   GLU  30           HA       GLU  30   4.185  -1.243  -6.047
  231    HB2  GLU  30           HB2      GLU  30   5.523   0.626  -4.589
  232    HB3  GLU  30           HB3      GLU  30   4.873  -0.395  -3.306
  233    HG2  GLU  30           HG2      GLU  30   5.732  -2.349  -4.876
  234    HG3  GLU  30           HG3      GLU  30   6.804  -1.091  -5.485
  235    H    CYS  31           H        CYS  31   1.684   0.218  -4.294
  236    HA   CYS  31           HA       CYS  31   1.180  -2.080  -2.571
  237    HB2  CYS  31           HB2      CYS  31   0.780   0.260  -1.784
  238    HB3  CYS  31           HB3      CYS  31  -0.504   0.399  -2.985
  239    H    CYS  32           H        CYS  32  -0.347  -0.420  -5.320
  240    HA   CYS  32           HA       CYS  32  -2.482  -2.338  -5.527
  241    HB2  CYS  32           HB2      CYS  32  -2.022   0.211  -6.517
  242    HB3  CYS  32           HB3      CYS  32  -1.920  -0.812  -7.950
  243    H    THR  33           H        THR  33   0.728  -2.641  -6.145
  244    HA   THR  33           HA       THR  33   0.732  -3.929  -8.694
  245    HB   THR  33           HB       THR  33   2.800  -4.745  -6.757
  246    HG1  THR  33           HG1      THR  33   2.096  -2.520  -6.205
  247   HG21  THR  33          HG21      THR  33   4.253  -4.182  -8.605
  248   HG22  THR  33          HG22      THR  33   2.958  -3.294  -9.412
  249   HG23  THR  33          HG23      THR  33   2.861  -5.048  -9.256
  250    H    SER  34           H        SER  34   2.103  -6.299  -8.246
  251    HA   SER  34           HA       SER  34   0.260  -8.258  -8.186
  252    HB2  SER  34           HB2      SER  34   2.292  -9.441  -6.723
  253    HB3  SER  34           HB3      SER  34   2.206  -9.345  -8.480
  254    HG   SER  34           HG       SER  34   3.441  -7.501  -8.420
  255    H    GLU  35           H        GLU  35  -0.885  -9.471  -6.716
  256    HA   GLU  35           HA       GLU  35  -1.797  -8.295  -4.374
  257    HB2  GLU  35           HB2      GLU  35  -1.956 -10.967  -5.601
  258    HB3  GLU  35           HB3      GLU  35  -2.155 -10.953  -3.848
  259    HG2  GLU  35           HG2      GLU  35  -3.686  -9.176  -5.768
  260    HG3  GLU  35           HG3      GLU  35  -4.316 -10.661  -5.061
  261    H    SER  36           H        SER  36   0.761 -10.726  -4.790
  262    HA   SER  36           HA       SER  36   1.398 -11.315  -2.188
  263    HB2  SER  36           HB2      SER  36   3.783 -11.511  -3.014
  264    HB3  SER  36           HB3      SER  36   2.589 -12.399  -3.956
  265    HG   SER  36           HG       SER  36   3.939  -9.998  -4.551
  266    H    THR  37           H        THR  37   2.666  -8.569  -4.078
  267    HA   THR  37           HA       THR  37   4.125  -7.412  -1.941
  268    HB   THR  37           HB       THR  37   2.951  -5.872  -4.254
  269    HG1  THR  37           HG1      THR  37   4.304  -8.052  -4.487
  270   HG21  THR  37          HG21      THR  37   5.655  -5.655  -2.919
  271   HG22  THR  37          HG22      THR  37   4.244  -4.755  -2.362
  272   HG23  THR  37          HG23      THR  37   4.876  -4.485  -3.985
  273    H    PHE  38           H        PHE  38   0.796  -7.182  -2.993
  274    HA   PHE  38           HA       PHE  38   0.035  -4.867  -1.568
  275    HB2  PHE  38           HB2      PHE  38  -1.246  -6.285  -3.362
  276    HB3  PHE  38           HB3      PHE  38  -1.840  -7.174  -1.960
  277    HD1  PHE  38           HD1      PHE  38  -2.531  -5.522   0.089
  278    HD2  PHE  38           HD2      PHE  38  -2.564  -4.514  -4.086
  279    HE1  PHE  38           HE1      PHE  38  -4.177  -3.721   0.537
  280    HE2  PHE  38           HE2      PHE  38  -4.208  -2.714  -3.639
  281    HZ   PHE  38           HZ       PHE  38  -5.015  -2.316  -1.327
  282    H    LYS  39           H        LYS  39  -0.351  -8.310  -0.721
  283    HA   LYS  39           HA       LYS  39  -1.375  -7.918   1.860
  284    HB2  LYS  39           HB2      LYS  39  -0.682 -10.103   0.248
  285    HB3  LYS  39           HB3      LYS  39   0.302 -10.276   1.701
  286    HG2  LYS  39           HG2      LYS  39  -1.772  -9.934   3.073
  287    HG3  LYS  39           HG3      LYS  39  -2.709  -9.952   1.579
  288    HD2  LYS  39           HD2      LYS  39  -0.942 -12.198   2.594
  289    HD3  LYS  39           HD3      LYS  39  -2.706 -12.185   2.605
  290    HE2  LYS  39           HE2      LYS  39  -2.304 -11.646   0.002
  291    HE3  LYS  39           HE3      LYS  39  -0.826 -12.552   0.324
  292    HZ1  LYS  39           HZ1      LYS  39  -2.130 -14.320  -0.026
  293    HZ2  LYS  39           HZ2      LYS  39  -3.569 -13.459   0.247
  294    HZ3  LYS  39           HZ3      LYS  39  -2.669 -14.053   1.559
  295    H    LYS  40           H        LYS  40   1.784  -7.418   0.635
  296    HA   LYS  40           HA       LYS  40   3.148  -7.796   3.163
  297    HB2  LYS  40           HB2      LYS  40   3.978  -7.800   0.552
  298    HB3  LYS  40           HB3      LYS  40   4.506  -6.206   1.095
  299    HG2  LYS  40           HG2      LYS  40   5.464  -7.407   3.157
  300    HG3  LYS  40           HG3      LYS  40   5.227  -8.902   2.254
  301    HD2  LYS  40           HD2      LYS  40   6.500  -7.601   0.345
  302    HD3  LYS  40           HD3      LYS  40   7.100  -6.629   1.689
  303    HE2  LYS  40           HE2      LYS  40   7.824  -8.739   2.825
  304    HE3  LYS  40           HE3      LYS  40   7.349  -9.634   1.382
  305    HZ1  LYS  40           HZ1      LYS  40   9.452  -9.242   0.767
  306    HZ2  LYS  40           HZ2      LYS  40   9.647  -7.935   1.834
  307    HZ3  LYS  40           HZ3      LYS  40   8.877  -7.706   0.337
  308    H    CYS  41           H        CYS  41   1.865  -5.109   1.272
  309    HA   CYS  41           HA       CYS  41   3.012  -3.032   2.846
  310    HB2  CYS  41           HB2      CYS  41   1.585  -3.144   0.491
  311    HB3  CYS  41           HB3      CYS  41   0.435  -2.403   1.604
  312    H    GLN  42           H        GLN  42   0.322  -5.146   3.292
  313    HA   GLN  42           HA       GLN  42  -0.910  -3.440   5.326
  314    HB2  GLN  42           HB2      GLN  42  -1.661  -5.975   3.926
  315    HB3  GLN  42           HB3      GLN  42  -2.379  -5.631   5.501
  316    HG2  GLN  42           HG2      GLN  42  -2.348  -3.360   3.604
  317    HG3  GLN  42           HG3      GLN  42  -3.391  -4.706   3.150
  318   HE21  GLN  42          HE21      GLN  42  -5.436  -4.699   4.100
  319   HE22  GLN  42          HE22      GLN  42  -5.848  -3.839   5.503
  320    H    THR  43           H        THR  43   1.204  -6.181   5.039
  321    HA   THR  43           HA       THR  43   0.884  -7.109   7.743
  322    HB   THR  43           HB       THR  43   3.107  -7.637   5.756
  323    HG1  THR  43           HG1      THR  43   1.582  -9.708   6.012
  324   HG21  THR  43          HG21      THR  43   2.251  -9.322   8.111
  325   HG22  THR  43          HG22      THR  43   3.511  -8.096   8.244
  326   HG23  THR  43          HG23      THR  43   3.722  -9.463   7.150
  327    H    MET  44           H        MET  44   2.886  -4.770   6.101
  328    HA   MET  44           HA       MET  44   4.797  -4.516   8.253
  329    HB2  MET  44           HB2      MET  44   4.321  -3.208   5.622
  330    HB3  MET  44           HB3      MET  44   5.206  -2.284   6.835
  331    HG2  MET  44           HG2      MET  44   7.018  -3.676   6.765
  332    HG3  MET  44           HG3      MET  44   6.030  -5.116   6.523
  333    HE1  MET  44           HE1      MET  44   8.806  -4.445   3.796
  334    HE2  MET  44           HE2      MET  44   7.980  -5.935   4.239
  335    HE3  MET  44           HE3      MET  44   8.534  -4.835   5.499
  336    H    LEU  45           H        LEU  45   2.082  -2.580   7.005
  337    HA   LEU  45           HA       LEU  45   2.221  -0.407   8.713
  338    HB2  LEU  45           HB2      LEU  45  -0.074  -1.815   7.384
  339    HB3  LEU  45           HB3      LEU  45  -0.375  -0.466   8.480
  340    HG   LEU  45           HG       LEU  45   1.481  -0.368   6.083
  341   HD11  LEU  45          HD11      LEU  45  -1.353   0.606   6.516
  342   HD12  LEU  45          HD12      LEU  45  -0.772  -0.494   5.268
  343   HD13  LEU  45          HD13      LEU  45  -0.322   1.209   5.220
  344   HD21  LEU  45          HD21      LEU  45   0.968   1.392   8.381
  345   HD22  LEU  45          HD22      LEU  45   0.795   2.208   6.826
  346   HD23  LEU  45          HD23      LEU  45   2.310   1.403   7.236
  347    H    HIS  46           H        HIS  46   0.977  -3.641   9.331
  348    HA   HIS  46           HA       HIS  46   0.201  -2.839  12.056
  349    HB2  HIS  46           HB2      HIS  46  -0.518  -5.121  10.256
  350    HB3  HIS  46           HB3      HIS  46  -0.642  -5.334  12.002
  351    HD1  HIS  46           HD1      HIS  46  -1.902  -3.041   9.245
  352    HD2  HIS  46           HD2      HIS  46  -2.873  -4.124  13.151
  353    HE1  HIS  46           HE1      HIS  46  -4.130  -1.950   9.758
  354    H    GLN  47           H        GLN  47   1.757  -5.684  10.548
  355    HA   GLN  47           HA       GLN  47   3.233  -6.201  13.002
  356    HB2  GLN  47           HB2      GLN  47   2.178  -7.943  11.363
  357    HB3  GLN  47           HB3      GLN  47   3.658  -7.695  10.435
  358    HG2  GLN  47           HG2      GLN  47   4.226  -9.470  11.867
  359    HG3  GLN  47           HG3      GLN  47   4.878  -8.060  12.700
  360   HE21  GLN  47          HE21      GLN  47   2.693 -10.716  12.999
  361   HE22  GLN  47          HE22      GLN  47   1.994 -10.253  14.474
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1  -6.751   3.256 -16.574
    2    H2   ALA   1           H2       ALA   1  -6.163   3.282 -14.981
    3    H3   ALA   1           H3       ALA   1  -6.508   4.737 -15.786
    4    HA   ALA   1           HA       ALA   1  -8.346   4.509 -14.443
    5    HB1  ALA   1           HB1      ALA   1  -9.109   2.981 -16.947
    6    HB2  ALA   1           HB2      ALA   1  -8.922   4.733 -16.878
    7    HB3  ALA   1           HB3      ALA   1 -10.179   3.944 -15.927
    8    H    ASP   2           H        ASP   2  -9.271   3.309 -12.882
    9    HA   ASP   2           HA       ASP   2  -9.563   1.512 -11.469
   10    HB2  ASP   2           HB2      ASP   2 -10.086  -0.214 -13.852
   11    HB3  ASP   2           HB3      ASP   2 -10.974  -0.100 -12.334
   12    H    ASP   3           H        ASP   3  -6.871   1.912 -12.137
   13    HA   ASP   3           HA       ASP   3  -5.607  -0.497 -13.004
   14    HB2  ASP   3           HB2      ASP   3  -4.006   1.188 -11.232
   15    HB3  ASP   3           HB3      ASP   3  -3.725   0.739 -12.912
   16    H    LYS   4           H        LYS   4  -7.452  -1.347 -11.226
   17    HA   LYS   4           HA       LYS   4  -7.641  -2.828  -9.476
   18    HB2  LYS   4           HB2      LYS   4  -5.130  -3.261 -10.261
   19    HB3  LYS   4           HB3      LYS   4  -4.781  -2.539  -8.692
   20    HG2  LYS   4           HG2      LYS   4  -6.278  -4.171  -7.601
   21    HG3  LYS   4           HG3      LYS   4  -6.626  -4.898  -9.170
   22    HD2  LYS   4           HD2      LYS   4  -4.183  -5.371  -9.440
   23    HD3  LYS   4           HD3      LYS   4  -3.923  -4.767  -7.806
   24    HE2  LYS   4           HE2      LYS   4  -4.952  -6.582  -6.817
   25    HE3  LYS   4           HE3      LYS   4  -6.009  -6.868  -8.199
   26    HZ1  LYS   4           HZ1      LYS   4  -3.139  -7.195  -8.616
   27    HZ2  LYS   4           HZ2      LYS   4  -4.440  -8.065  -9.277
   28    HZ3  LYS   4           HZ3      LYS   4  -3.922  -8.381  -7.689
   29    H    CYS   5           H        CYS   5  -6.867   0.352  -9.293
   30    HA   CYS   5           HA       CYS   5  -7.024   0.414  -6.339
   31    HB2  CYS   5           HB2      CYS   5  -6.328   2.904  -7.761
   32    HB3  CYS   5           HB3      CYS   5  -5.621   2.196  -6.308
   33    H    GLU   6           H        GLU   6  -7.955   2.477  -9.108
   34    HA   GLU   6           HA       GLU   6 -10.062   3.779  -7.739
   35    HB2  GLU   6           HB2      GLU   6  -8.782   4.187 -10.103
   36    HB3  GLU   6           HB3      GLU   6 -10.314   3.521 -10.670
   37    HG2  GLU   6           HG2      GLU   6 -11.572   5.213  -9.518
   38    HG3  GLU   6           HG3      GLU   6 -10.140   5.774  -8.655
   39    H    ASP   7           H        ASP   7  -9.830   0.651  -9.066
   40    HA   ASP   7           HA       ASP   7 -12.526   0.236  -9.854
   41    HB2  ASP   7           HB2      ASP   7 -10.459  -1.212 -10.358
   42    HB3  ASP   7           HB3      ASP   7 -10.720  -1.912  -8.762
   43    H    SER   8           H        SER   8 -10.890   0.200  -6.770
   44    HA   SER   8           HA       SER   8 -13.465  -0.062  -5.421
   45    HB2  SER   8           HB2      SER   8 -12.742  -1.876  -3.979
   46    HB3  SER   8           HB3      SER   8 -12.614  -2.389  -5.659
   47    HG   SER   8           HG       SER   8 -10.343  -1.441  -5.344
   48    H    LEU   9           H        LEU   9 -13.503   1.629  -4.094
   49    HA   LEU   9           HA       LEU   9 -11.256   3.119  -3.297
   50    HB2  LEU   9           HB2      LEU   9 -13.994   3.441  -3.134
   51    HB3  LEU   9           HB3      LEU   9 -13.516   3.270  -1.444
   52    HG   LEU   9           HG       LEU   9 -11.645   4.964  -2.002
   53   HD11  LEU   9          HD11      LEU   9 -11.658   5.098  -4.347
   54   HD12  LEU   9          HD12      LEU   9 -12.544   6.547  -3.873
   55   HD13  LEU   9          HD13      LEU   9 -13.419   5.122  -4.430
   56   HD21  LEU   9          HD21      LEU   9 -13.170   5.966  -0.626
   57   HD22  LEU   9          HD22      LEU   9 -14.546   5.401  -1.574
   58   HD23  LEU   9          HD23      LEU   9 -13.637   6.819  -2.098
   59    H    ARG  10           H        ARG  10 -12.229   0.083  -2.282
   60    HA   ARG  10           HA       ARG  10 -11.552   0.237   0.495
   61    HB2  ARG  10           HB2      ARG  10 -12.062  -1.969  -1.465
   62    HB3  ARG  10           HB3      ARG  10 -11.293  -2.354   0.075
   63    HG2  ARG  10           HG2      ARG  10 -13.671  -2.587   0.388
   64    HG3  ARG  10           HG3      ARG  10 -13.174  -1.115   1.223
   65    HD2  ARG  10           HD2      ARG  10 -14.321   0.235  -0.205
   66    HD3  ARG  10           HD3      ARG  10 -13.905  -0.737  -1.612
   67    HE   ARG  10           HE       ARG  10 -16.287  -0.978  -0.002
   68   HH11  ARG  10          HH21      ARG  10 -14.028  -2.601  -2.061
   69   HH12  ARG  10          HH22      ARG  10 -15.155  -3.811  -2.574
   70   HH21  ARG  10          HH11      ARG  10 -17.770  -2.563  -0.672
   71   HH22  ARG  10          HH12      ARG  10 -17.274  -3.790  -1.788
   72    H    ARG  11           H        ARG  11  -9.773  -0.139  -2.452
   73    HA   ARG  11           HA       ARG  11  -7.343  -0.945  -1.008
   74    HB2  ARG  11           HB2      ARG  11  -8.139  -0.897  -3.910
   75    HB3  ARG  11           HB3      ARG  11  -6.442  -0.999  -3.441
   76    HG2  ARG  11           HG2      ARG  11  -6.810  -3.040  -2.231
   77    HG3  ARG  11           HG3      ARG  11  -8.561  -2.878  -2.373
   78    HD2  ARG  11           HD2      ARG  11  -7.087  -2.855  -4.937
   79    HD3  ARG  11           HD3      ARG  11  -7.035  -4.382  -4.060
   80    HE   ARG  11           HE       ARG  11  -9.299  -3.295  -5.423
   81   HH11  ARG  11          HH21      ARG  11  -8.299  -5.073  -2.628
   82   HH12  ARG  11          HH22      ARG  11  -9.793  -5.936  -2.471
   83   HH21  ARG  11          HH11      ARG  11 -11.260  -4.422  -5.225
   84   HH22  ARG  11          HH12      ARG  11 -11.469  -5.567  -3.943
   85    H    GLU  12           H        GLU  12  -8.785   1.704  -2.783
   86    HA   GLU  12           HA       GLU  12  -6.450   3.269  -3.145
   87    HB2  GLU  12           HB2      GLU  12  -8.818   3.525  -4.194
   88    HB3  GLU  12           HB3      GLU  12  -9.177   4.465  -2.745
   89    HG2  GLU  12           HG2      GLU  12  -8.367   6.172  -4.049
   90    HG3  GLU  12           HG3      GLU  12  -6.833   5.601  -3.393
   91    H    ILE  13           H        ILE  13  -8.590   2.767  -0.436
   92    HA   ILE  13           HA       ILE  13  -7.533   5.039   1.047
   93    HB   ILE  13           HB       ILE  13  -9.490   2.848   1.769
   94   HG12  ILE  13          HG12      ILE  13  -9.885   5.836   1.428
   95   HG13  ILE  13          HG13      ILE  13 -10.200   4.657   0.152
   96   HG21  ILE  13          HG21      ILE  13  -8.856   3.327   3.901
   97   HG22  ILE  13          HG22      ILE  13  -9.777   4.812   3.659
   98   HG23  ILE  13          HG23      ILE  13  -8.030   4.809   3.422
   99   HD11  ILE  13          HD11      ILE  13 -11.436   4.275   2.864
  100   HD12  ILE  13          HD12      ILE  13 -12.000   3.703   1.295
  101   HD13  ILE  13          HD13      ILE  13 -12.166   5.405   1.724
  102    H    ALA  14           H        ALA  14  -7.089   1.577   0.821
  103    HA   ALA  14           HA       ALA  14  -5.470   1.460   3.236
  104    HB1  ALA  14           HB1      ALA  14  -5.153  -0.943   2.502
  105    HB2  ALA  14           HB2      ALA  14  -6.245  -0.592   1.162
  106    HB3  ALA  14           HB3      ALA  14  -6.819  -0.465   2.825
  107    H    CYS  15           H        CYS  15  -5.014   1.938  -0.154
  108    HA   CYS  15           HA       CYS  15  -2.199   1.177  -0.070
  109    HB2  CYS  15           HB2      CYS  15  -3.997   2.235  -2.253
  110    HB3  CYS  15           HB3      CYS  15  -2.261   2.018  -2.473
  111    H    THR  16           H        THR  16  -3.951   3.805   0.886
  112    HA   THR  16           HA       THR  16  -2.059   5.844   0.009
  113    HB   THR  16           HB       THR  16  -4.258   6.267   2.017
  114    HG1  THR  16           HG1      THR  16  -5.702   6.384   0.389
  115   HG21  THR  16          HG21      THR  16  -2.798   7.926  -0.040
  116   HG22  THR  16          HG22      THR  16  -2.906   8.191   1.701
  117   HG23  THR  16          HG23      THR  16  -4.316   8.463   0.678
  118    H    LYS  17           H        LYS  17  -3.253   4.567   3.115
  119    HA   LYS  17           HA       LYS  17  -1.535   5.892   4.835
  120    HB2  LYS  17           HB2      LYS  17  -1.807   3.848   6.312
  121    HB3  LYS  17           HB3      LYS  17  -3.312   4.568   5.741
  122    HG2  LYS  17           HG2      LYS  17  -3.522   2.900   3.997
  123    HG3  LYS  17           HG3      LYS  17  -1.930   2.243   4.377
  124    HD2  LYS  17           HD2      LYS  17  -3.715   0.854   5.366
  125    HD3  LYS  17           HD3      LYS  17  -2.729   1.604   6.623
  126    HE2  LYS  17           HE2      LYS  17  -5.141   3.089   5.671
  127    HE3  LYS  17           HE3      LYS  17  -5.391   1.694   6.722
  128    HZ1  LYS  17           HZ1      LYS  17  -4.495   4.279   7.403
  129    HZ2  LYS  17           HZ2      LYS  17  -3.289   3.150   7.796
  130    HZ3  LYS  17           HZ3      LYS  17  -4.856   2.976   8.426
  131    H    CYS  18           H        CYS  18  -0.963   3.062   2.837
  132    HA   CYS  18           HA       CYS  18   1.513   2.274   3.956
  133    HB2  CYS  18           HB2      CYS  18  -0.151   1.506   1.754
  134    HB3  CYS  18           HB3      CYS  18   1.510   1.667   1.183
  135    H    ARG  19           H        ARG  19   0.838   4.145   0.981
  136    HA   ARG  19           HA       ARG  19   3.569   4.835   0.552
  137    HB2  ARG  19           HB2      ARG  19   2.207   4.903  -1.365
  138    HB3  ARG  19           HB3      ARG  19   0.964   5.856  -0.559
  139    HG2  ARG  19           HG2      ARG  19   3.657   7.089  -0.640
  140    HG3  ARG  19           HG3      ARG  19   2.851   6.930  -2.200
  141    HD2  ARG  19           HD2      ARG  19   1.188   7.947   0.045
  142    HD3  ARG  19           HD3      ARG  19   2.443   9.028  -0.550
  143    HE   ARG  19           HE       ARG  19   0.897   7.892  -2.688
  144   HH11  ARG  19          HH21      ARG  19   0.978  10.308  -0.211
  145   HH12  ARG  19          HH22      ARG  19  -0.078  11.397  -1.046
  146   HH21  ARG  19          HH11      ARG  19  -0.488   9.318  -3.790
  147   HH22  ARG  19          HH12      ARG  19  -0.908  10.837  -3.072
  148    H    ASP  20           H        ASP  20   0.833   6.514   2.051
  149    HA   ASP  20           HA       ASP  20   1.933   9.026   2.438
  150    HB2  ASP  20           HB2      ASP  20  -0.006   7.374   4.023
  151    HB3  ASP  20           HB3      ASP  20   0.543   8.926   4.653
  152    H    ARG  21           H        ARG  21   2.716   6.014   3.975
  153    HA   ARG  21           HA       ARG  21   4.089   7.126   6.234
  154    HB2  ARG  21           HB2      ARG  21   3.142   4.737   5.944
  155    HB3  ARG  21           HB3      ARG  21   4.631   4.406   5.060
  156    HG2  ARG  21           HG2      ARG  21   5.581   4.005   7.070
  157    HG3  ARG  21           HG3      ARG  21   5.509   5.748   7.333
  158    HD2  ARG  21           HD2      ARG  21   3.419   5.581   8.483
  159    HD3  ARG  21           HD3      ARG  21   3.195   3.910   7.975
  160    HE   ARG  21           HE       ARG  21   4.700   4.805  10.238
  161   HH11  ARG  21          HH21      ARG  21   4.543   2.447   7.710
  162   HH12  ARG  21          HH22      ARG  21   5.406   1.235   8.597
  163   HH21  ARG  21          HH11      ARG  21   5.837   3.222  11.406
  164   HH22  ARG  21          HH12      ARG  21   6.139   1.674  10.690
  165    H    VAL  22           H        VAL  22   5.278   5.442   3.318
  166    HA   VAL  22           HA       VAL  22   7.974   6.369   3.742
  167    HB   VAL  22           HB       VAL  22   6.910   5.149   1.201
  168   HG11  VAL  22          HG11      VAL  22   9.208   4.164   1.195
  169   HG12  VAL  22          HG12      VAL  22   9.567   5.074   2.663
  170   HG13  VAL  22          HG13      VAL  22   9.223   5.928   1.159
  171   HG21  VAL  22          HG21      VAL  22   7.170   3.971   3.917
  172   HG22  VAL  22          HG22      VAL  22   7.833   3.014   2.592
  173   HG23  VAL  22          HG23      VAL  22   6.132   3.486   2.576
  174    H    ARG  23           H        ARG  23   5.228   7.821   2.563
  175    HA   ARG  23           HA       ARG  23   4.800   9.627   1.194
  176    HB2  ARG  23           HB2      ARG  23   7.549  10.652   1.756
  177    HB3  ARG  23           HB3      ARG  23   6.002  11.498   1.800
  178    HG2  ARG  23           HG2      ARG  23   5.390  10.200   3.840
  179    HG3  ARG  23           HG3      ARG  23   6.995   9.469   3.822
  180    HD2  ARG  23           HD2      ARG  23   8.012  11.367   4.576
  181    HD3  ARG  23           HD3      ARG  23   6.948  12.424   3.652
  182    HE   ARG  23           HE       ARG  23   6.507  11.453   6.362
  183   HH11  ARG  23          HH21      ARG  23   5.218  12.892   3.491
  184   HH12  ARG  23          HH22      ARG  23   3.850  13.593   4.290
  185   HH21  ARG  23          HH11      ARG  23   4.715  12.370   7.417
  186   HH22  ARG  23          HH12      ARG  23   3.566  13.297   6.512
  187    H    THR  24           H        THR  24   5.849   7.366  -0.199
  188    HA   THR  24           HA       THR  24   7.300   8.751  -2.373
  189    HB   THR  24           HB       THR  24   7.620   5.812  -1.793
  190    HG1  THR  24           HG1      THR  24   9.287   7.919  -0.893
  191   HG21  THR  24          HG21      THR  24   8.268   6.925  -4.010
  192   HG22  THR  24          HG22      THR  24   9.530   6.002  -3.195
  193   HG23  THR  24          HG23      THR  24   9.522   7.762  -3.097
  194    H    ASP  25           H        ASP  25   5.830   9.040  -3.931
  195    HA   ASP  25           HA       ASP  25   3.445   7.752  -4.349
  196    HB2  ASP  25           HB2      ASP  25   3.529   8.546  -6.637
  197    HB3  ASP  25           HB3      ASP  25   4.233   9.770  -5.581
  198    H    ASP  26           H        ASP  26   6.638   6.562  -4.965
  199    HA   ASP  26           HA       ASP  26   5.980   4.549  -6.863
  200    HB2  ASP  26           HB2      ASP  26   8.298   5.446  -6.298
  201    HB3  ASP  26           HB3      ASP  26   8.240   4.416  -4.869
  202    H    TYR  27           H        TYR  27   5.738   4.761  -3.392
  203    HA   TYR  27           HA       TYR  27   5.548   1.965  -2.869
  204    HB2  TYR  27           HB2      TYR  27   5.303   4.445  -1.366
  205    HB3  TYR  27           HB3      TYR  27   4.098   3.257  -0.873
  206    HD1  TYR  27           HD2      TYR  27   7.753   3.589  -1.614
  207    HD2  TYR  27           HD1      TYR  27   4.697   1.509   0.573
  208    HE1  TYR  27           HE2      TYR  27   9.495   2.329  -0.378
  209    HE2  TYR  27           HE1      TYR  27   6.439   0.249   1.810
  210    HH   TYR  27           HH       TYR  27   9.209  -0.315   1.015
  211    H    PHE  28           H        PHE  28   3.066   4.523  -3.114
  212    HA   PHE  28           HA       PHE  28   0.772   3.110  -2.721
  213    HB2  PHE  28           HB2      PHE  28   1.164   5.589  -3.492
  214    HB3  PHE  28           HB3      PHE  28   0.903   4.924  -5.104
  215    HD1  PHE  28           HD1      PHE  28  -1.176   3.285  -5.308
  216    HD2  PHE  28           HD2      PHE  28  -0.692   6.270  -2.258
  217    HE1  PHE  28           HE1      PHE  28  -3.623   3.274  -4.908
  218    HE2  PHE  28           HE2      PHE  28  -3.138   6.259  -1.859
  219    HZ   PHE  28           HZ       PHE  28  -4.604   4.761  -3.184
  220    H    TYR  29           H        TYR  29   2.429   3.432  -5.863
  221    HA   TYR  29           HA       TYR  29   0.788   1.699  -7.323
  222    HB2  TYR  29           HB2      TYR  29   2.886   3.234  -7.984
  223    HB3  TYR  29           HB3      TYR  29   3.704   1.673  -7.914
  224    HD1  TYR  29           HD2      TYR  29   2.679  -0.290  -9.214
  225    HD2  TYR  29           HD1      TYR  29   1.538   3.803  -9.837
  226    HE1  TYR  29           HE2      TYR  29   1.720  -0.893 -11.420
  227    HE2  TYR  29           HE1      TYR  29   0.578   3.201 -12.041
  228    HH   TYR  29           HH       TYR  29  -0.384   0.611 -12.979
  229    H    GLU  30           H        GLU  30   3.382   1.072  -5.073
  230    HA   GLU  30           HA       GLU  30   3.786  -1.673  -5.746
  231    HB2  GLU  30           HB2      GLU  30   5.163   0.078  -4.228
  232    HB3  GLU  30           HB3      GLU  30   4.277  -0.770  -2.960
  233    HG2  GLU  30           HG2      GLU  30   6.222  -2.067  -3.200
  234    HG3  GLU  30           HG3      GLU  30   5.044  -2.932  -4.186
  235    H    CYS  31           H        CYS  31   1.442   0.056  -3.879
  236    HA   CYS  31           HA       CYS  31   0.542  -2.261  -2.388
  237    HB2  CYS  31           HB2      CYS  31   0.353  -0.062  -1.361
  238    HB3  CYS  31           HB3      CYS  31  -0.638   0.509  -2.705
  239    H    CYS  32           H        CYS  32  -0.655  -0.274  -5.085
  240    HA   CYS  32           HA       CYS  32  -3.029  -1.814  -5.477
  241    HB2  CYS  32           HB2      CYS  32  -2.382   0.618  -6.272
  242    HB3  CYS  32           HB3      CYS  32  -1.799  -0.238  -7.698
  243    H    THR  33           H        THR  33   0.198  -2.485  -6.099
  244    HA   THR  33           HA       THR  33   0.164  -3.769  -8.585
  245    HB   THR  33           HB       THR  33   1.740  -4.899  -6.293
  246    HG1  THR  33           HG1      THR  33   3.196  -3.036  -7.147
  247   HG21  THR  33          HG21      THR  33   3.050  -5.712  -7.950
  248   HG22  THR  33          HG22      THR  33   3.042  -4.177  -8.819
  249   HG23  THR  33          HG23      THR  33   1.711  -5.316  -9.026
  250    H    SER  34           H        SER  34   1.101  -6.427  -7.561
  251    HA   SER  34           HA       SER  34  -1.406  -7.797  -7.805
  252    HB2  SER  34           HB2      SER  34   0.293  -9.748  -7.046
  253    HB3  SER  34           HB3      SER  34   0.208  -9.134  -8.695
  254    HG   SER  34           HG       SER  34   1.771  -7.556  -7.175
  255    H    GLU  35           H        GLU  35  -1.936  -9.610  -6.217
  256    HA   GLU  35           HA       GLU  35  -2.568  -8.481  -3.705
  257    HB2  GLU  35           HB2      GLU  35  -4.045 -10.157  -4.275
  258    HB3  GLU  35           HB3      GLU  35  -2.780 -11.195  -4.934
  259    HG2  GLU  35           HG2      GLU  35  -2.066 -11.884  -2.782
  260    HG3  GLU  35           HG3      GLU  35  -2.923 -10.564  -1.985
  261    H    SER  36           H        SER  36  -0.176 -10.962  -4.620
  262    HA   SER  36           HA       SER  36   0.895 -11.616  -2.190
  263    HB2  SER  36           HB2      SER  36   2.055 -12.771  -3.756
  264    HB3  SER  36           HB3      SER  36   1.916 -11.481  -4.947
  265    HG   SER  36           HG       SER  36   3.586 -10.394  -3.882
  266    H    THR  37           H        THR  37   1.561  -8.703  -4.093
  267    HA   THR  37           HA       THR  37   3.509  -7.697  -2.221
  268    HB   THR  37           HB       THR  37   2.843  -5.525  -3.685
  269    HG1  THR  37           HG1      THR  37   1.543  -7.621  -4.765
  270   HG21  THR  37          HG21      THR  37   5.073  -6.333  -3.665
  271   HG22  THR  37          HG22      THR  37   4.574  -6.435  -5.354
  272   HG23  THR  37          HG23      THR  37   4.600  -7.887  -4.352
  273    H    PHE  38           H        PHE  38   0.061  -7.389  -2.716
  274    HA   PHE  38           HA       PHE  38  -0.481  -5.050  -1.302
  275    HB2  PHE  38           HB2      PHE  38  -2.073  -6.645  -2.605
  276    HB3  PHE  38           HB3      PHE  38  -2.254  -7.461  -1.051
  277    HD1  PHE  38           HD1      PHE  38  -3.257  -6.307   0.876
  278    HD2  PHE  38           HD2      PHE  38  -2.906  -4.389  -2.951
  279    HE1  PHE  38           HE1      PHE  38  -4.850  -4.553   1.608
  280    HE2  PHE  38           HE2      PHE  38  -4.497  -2.634  -2.220
  281    HZ   PHE  38           HZ       PHE  38  -5.471  -2.716   0.060
  282    H    LYS  39           H        LYS  39  -0.043  -8.364  -0.110
  283    HA   LYS  39           HA       LYS  39  -0.586  -7.711   2.622
  284    HB2  LYS  39           HB2      LYS  39   0.760 -10.073   1.303
  285    HB3  LYS  39           HB3      LYS  39   0.508  -9.958   3.045
  286    HG2  LYS  39           HG2      LYS  39  -1.907  -9.320   1.527
  287    HG3  LYS  39           HG3      LYS  39  -1.324 -10.954   1.210
  288    HD2  LYS  39           HD2      LYS  39  -1.219 -11.371   3.656
  289    HD3  LYS  39           HD3      LYS  39  -1.871  -9.758   3.943
  290    HE2  LYS  39           HE2      LYS  39  -3.824 -10.468   2.421
  291    HE3  LYS  39           HE3      LYS  39  -3.229 -12.114   2.632
  292    HZ1  LYS  39           HZ1      LYS  39  -4.812 -11.784   4.311
  293    HZ2  LYS  39           HZ2      LYS  39  -4.208 -10.247   4.710
  294    HZ3  LYS  39           HZ3      LYS  39  -3.312 -11.640   5.090
  295    H    LYS  40           H        LYS  40   2.336  -7.951   0.649
  296    HA   LYS  40           HA       LYS  40   4.307  -7.860   2.587
  297    HB2  LYS  40           HB2      LYS  40   4.256  -7.664  -0.154
  298    HB3  LYS  40           HB3      LYS  40   4.826  -6.064   0.324
  299    HG2  LYS  40           HG2      LYS  40   6.005  -8.663   1.347
  300    HG3  LYS  40           HG3      LYS  40   6.681  -7.726   0.015
  301    HD2  LYS  40           HD2      LYS  40   7.201  -5.888   1.422
  302    HD3  LYS  40           HD3      LYS  40   6.159  -6.481   2.716
  303    HE2  LYS  40           HE2      LYS  40   8.358  -8.287   1.840
  304    HE3  LYS  40           HE3      LYS  40   8.828  -6.842   2.735
  305    HZ1  LYS  40           HZ1      LYS  40   7.748  -7.526   4.599
  306    HZ2  LYS  40           HZ2      LYS  40   8.153  -9.046   3.958
  307    HZ3  LYS  40           HZ3      LYS  40   6.585  -8.423   3.752
  308    H    CYS  41           H        CYS  41   2.671  -5.088   1.045
  309    HA   CYS  41           HA       CYS  41   3.929  -3.023   2.404
  310    HB2  CYS  41           HB2      CYS  41   1.974  -3.103   0.564
  311    HB3  CYS  41           HB3      CYS  41   0.996  -2.765   1.993
  312    H    GLN  42           H        GLN  42   1.018  -4.838   3.360
  313    HA   GLN  42           HA       GLN  42   0.492  -3.494   5.759
  314    HB2  GLN  42           HB2      GLN  42  -0.030  -6.331   4.872
  315    HB3  GLN  42           HB3      GLN  42  -0.564  -5.722   6.439
  316    HG2  GLN  42           HG2      GLN  42  -1.952  -4.063   5.434
  317    HG3  GLN  42           HG3      GLN  42  -1.217  -4.305   3.850
  318   HE21  GLN  42          HE21      GLN  42  -3.597  -4.671   3.210
  319   HE22  GLN  42          HE22      GLN  42  -4.224  -6.238   3.398
  320    H    THR  43           H        THR  43   2.730  -6.101   5.000
  321    HA   THR  43           HA       THR  43   3.436  -6.863   7.610
  322    HB   THR  43           HB       THR  43   5.398  -6.785   5.325
  323    HG1  THR  43           HG1      THR  43   2.996  -7.736   5.154
  324   HG21  THR  43          HG21      THR  43   6.527  -8.328   6.539
  325   HG22  THR  43          HG22      THR  43   5.053  -9.186   6.986
  326   HG23  THR  43          HG23      THR  43   5.553  -7.756   7.892
  327    H    MET  44           H        MET  44   4.406  -4.143   5.631
  328    HA   MET  44           HA       MET  44   6.603  -3.376   7.342
  329    HB2  MET  44           HB2      MET  44   6.316  -2.885   4.821
  330    HB3  MET  44           HB3      MET  44   5.252  -1.578   5.343
  331    HG2  MET  44           HG2      MET  44   7.218  -0.949   6.943
  332    HG3  MET  44           HG3      MET  44   8.197  -1.928   5.851
  333    HE1  MET  44           HE1      MET  44   9.518  -0.527   3.877
  334    HE2  MET  44           HE2      MET  44   9.608  -0.125   5.590
  335    HE3  MET  44           HE3      MET  44   9.449   1.162   4.398
  336    H    LEU  45           H        LEU  45   3.197  -2.629   7.047
  337    HA   LEU  45           HA       LEU  45   3.257  -0.285   8.699
  338    HB2  LEU  45           HB2      LEU  45   1.067  -2.094   7.697
  339    HB3  LEU  45           HB3      LEU  45   0.734  -0.788   8.835
  340    HG   LEU  45           HG       LEU  45   2.323  -0.226   6.347
  341   HD11  LEU  45          HD11      LEU  45  -0.615  -0.772   6.575
  342   HD12  LEU  45          HD12      LEU  45   0.489  -1.129   5.248
  343   HD13  LEU  45          HD13      LEU  45  -0.080   0.521   5.500
  344   HD21  LEU  45          HD21      LEU  45   0.264   1.587   7.521
  345   HD22  LEU  45          HD22      LEU  45   1.842   1.975   6.835
  346   HD23  LEU  45          HD23      LEU  45   1.728   1.315   8.466
  347    H    HIS  46           H        HIS  46   3.184  -3.690   9.268
  348    HA   HIS  46           HA       HIS  46   2.513  -3.255  12.111
  349    HB2  HIS  46           HB2      HIS  46   1.118  -4.894  10.861
  350    HB3  HIS  46           HB3      HIS  46   2.569  -5.844  10.543
  351    HD1  HIS  46           HD1      HIS  46   3.755  -6.942  12.635
  352    HD2  HIS  46           HD2      HIS  46   0.076  -5.165  13.461
  353    HE1  HIS  46           HE1      HIS  46   3.048  -7.787  14.915
  354    H    GLN  47           H        GLN  47   4.808  -4.886   9.946
  355    HA   GLN  47           HA       GLN  47   6.831  -5.932  10.444
  356    HB2  GLN  47           HB2      GLN  47   7.134  -3.350  10.218
  357    HB3  GLN  47           HB3      GLN  47   7.431  -3.409  11.956
  358    HG2  GLN  47           HG2      GLN  47   8.938  -5.526  10.937
  359    HG3  GLN  47           HG3      GLN  47   9.162  -4.231   9.761
  360   HE21  GLN  47          HE21      GLN  47   8.606  -3.814  13.273
  361   HE22  GLN  47          HE22      GLN  47  10.108  -3.085  13.580
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1  -9.292   0.737 -14.832
    2    H2   ALA   1           H2       ALA   1  -8.511   2.243 -14.727
    3    H3   ALA   1           H3       ALA   1  -9.941   2.086 -15.631
    4    HA   ALA   1           HA       ALA   1  -9.646   2.716 -12.908
    5    HB1  ALA   1           HB1      ALA   1 -11.273   3.914 -14.056
    6    HB2  ALA   1           HB2      ALA   1 -12.272   2.703 -13.253
    7    HB3  ALA   1           HB3      ALA   1 -11.832   2.500 -14.948
    8    H    ASP   2           H        ASP   2 -11.331   1.854 -11.294
    9    HA   ASP   2           HA       ASP   2 -11.541   0.040  -9.824
   10    HB2  ASP   2           HB2      ASP   2 -13.260  -1.567 -10.851
   11    HB3  ASP   2           HB3      ASP   2 -13.716   0.132 -10.735
   12    H    ASP   3           H        ASP   3  -9.091  -0.200 -11.239
   13    HA   ASP   3           HA       ASP   3  -8.819  -2.806 -12.388
   14    HB2  ASP   3           HB2      ASP   3  -7.278  -0.589 -12.430
   15    HB3  ASP   3           HB3      ASP   3  -6.442  -1.512 -11.184
   16    H    LYS   4           H        LYS   4  -8.412  -1.455  -9.161
   17    HA   LYS   4           HA       LYS   4  -8.712  -4.005  -7.920
   18    HB2  LYS   4           HB2      LYS   4  -6.062  -3.309  -8.703
   19    HB3  LYS   4           HB3      LYS   4  -6.151  -3.192  -6.945
   20    HG2  LYS   4           HG2      LYS   4  -7.287  -5.472  -6.974
   21    HG3  LYS   4           HG3      LYS   4  -6.830  -5.581  -8.674
   22    HD2  LYS   4           HD2      LYS   4  -4.707  -6.120  -8.143
   23    HD3  LYS   4           HD3      LYS   4  -4.574  -4.741  -7.050
   24    HE2  LYS   4           HE2      LYS   4  -5.762  -6.039  -5.299
   25    HE3  LYS   4           HE3      LYS   4  -5.820  -7.426  -6.388
   26    HZ1  LYS   4           HZ1      LYS   4  -3.914  -7.263  -4.699
   27    HZ2  LYS   4           HZ2      LYS   4  -3.254  -6.117  -5.766
   28    HZ3  LYS   4           HZ3      LYS   4  -3.544  -7.706  -6.293
   29    H    CYS   5           H        CYS   5  -7.536  -0.680  -7.627
   30    HA   CYS   5           HA       CYS   5  -8.434  -0.588  -4.831
   31    HB2  CYS   5           HB2      CYS   5  -7.022   1.569  -6.414
   32    HB3  CYS   5           HB3      CYS   5  -7.214   1.477  -4.663
   33    H    GLU   6           H        GLU   6  -8.925   1.038  -7.947
   34    HA   GLU   6           HA       GLU   6 -10.831   2.921  -7.107
   35    HB2  GLU   6           HB2      GLU   6 -10.052   1.693  -9.704
   36    HB3  GLU   6           HB3      GLU   6 -11.611   2.515  -9.634
   37    HG2  GLU   6           HG2      GLU   6 -10.575   4.560  -8.870
   38    HG3  GLU   6           HG3      GLU   6  -9.017   3.758  -8.686
   39    H    ASP   7           H        ASP   7 -11.042  -0.479  -7.430
   40    HA   ASP   7           HA       ASP   7 -13.891  -0.603  -7.874
   41    HB2  ASP   7           HB2      ASP   7 -12.521  -2.436  -8.654
   42    HB3  ASP   7           HB3      ASP   7 -11.874  -2.695  -7.034
   43    H    SER   8           H        SER   8 -11.714  -0.653  -5.119
   44    HA   SER   8           HA       SER   8 -14.075  -0.591  -3.342
   45    HB2  SER   8           HB2      SER   8 -12.107  -1.678  -1.768
   46    HB3  SER   8           HB3      SER   8 -13.380  -2.595  -2.571
   47    HG   SER   8           HG       SER   8 -11.913  -3.419  -3.818
   48    H    LEU   9           H        LEU   9 -14.150   1.429  -2.576
   49    HA   LEU   9           HA       LEU   9 -12.026   3.247  -2.476
   50    HB2  LEU   9           HB2      LEU   9 -13.461   4.608  -1.056
   51    HB3  LEU   9           HB3      LEU   9 -14.420   3.880  -2.344
   52    HG   LEU   9           HG       LEU   9 -14.547   1.964  -0.365
   53   HD11  LEU   9          HD11      LEU   9 -13.495   3.397   1.289
   54   HD12  LEU   9          HD12      LEU   9 -15.211   3.268   1.676
   55   HD13  LEU   9          HD13      LEU   9 -14.590   4.722   0.894
   56   HD21  LEU   9          HD21      LEU   9 -16.424   2.738  -1.727
   57   HD22  LEU   9          HD22      LEU   9 -16.404   4.302  -0.911
   58   HD23  LEU   9          HD23      LEU   9 -16.859   2.848  -0.021
   59    H    ARG  10           H        ARG  10 -13.144   0.884  -0.116
   60    HA   ARG  10           HA       ARG  10 -11.601   1.825   2.078
   61    HB2  ARG  10           HB2      ARG  10 -13.546  -0.020   1.850
   62    HB3  ARG  10           HB3      ARG  10 -12.140  -1.087   1.844
   63    HG2  ARG  10           HG2      ARG  10 -11.333  -0.033   3.927
   64    HG3  ARG  10           HG3      ARG  10 -12.745   1.025   3.937
   65    HD2  ARG  10           HD2      ARG  10 -12.532  -1.617   4.981
   66    HD3  ARG  10           HD3      ARG  10 -13.946  -0.568   4.964
   67    HE   ARG  10           HE       ARG  10 -13.791  -1.665   2.423
   68   HH11  ARG  10          HH21      ARG  10 -14.036  -2.777   5.691
   69   HH12  ARG  10          HH22      ARG  10 -14.934  -4.202   5.283
   70   HH21  ARG  10          HH11      ARG  10 -14.969  -3.528   1.881
   71   HH22  ARG  10          HH12      ARG  10 -15.464  -4.626   3.126
   72    H    ARG  11           H        ARG  11 -10.971  -0.382  -0.586
   73    HA   ARG  11           HA       ARG  11  -8.482  -1.371   0.384
   74    HB2  ARG  11           HB2      ARG  11  -9.853  -1.324  -2.287
   75    HB3  ARG  11           HB3      ARG  11  -8.178  -1.857  -2.159
   76    HG2  ARG  11           HG2      ARG  11 -10.365  -2.973  -0.396
   77    HG3  ARG  11           HG3      ARG  11  -9.954  -3.688  -1.956
   78    HD2  ARG  11           HD2      ARG  11  -8.268  -4.800  -0.973
   79    HD3  ARG  11           HD3      ARG  11  -7.507  -3.261  -0.583
   80    HE   ARG  11           HE       ARG  11  -8.085  -3.680   1.610
   81   HH11  ARG  11          HH21      ARG  11 -10.333  -5.205  -0.534
   82   HH12  ARG  11          HH22      ARG  11 -11.274  -5.913   0.736
   83   HH21  ARG  11          HH11      ARG  11  -9.317  -4.602   3.280
   84   HH22  ARG  11          HH12      ARG  11 -10.698  -5.572   2.896
   85    H    GLU  12           H        GLU  12  -9.473   1.519  -1.258
   86    HA   GLU  12           HA       GLU  12  -6.920   2.261  -2.307
   87    HB2  GLU  12           HB2      GLU  12  -9.385   3.157  -2.789
   88    HB3  GLU  12           HB3      GLU  12  -8.925   4.338  -1.562
   89    HG2  GLU  12           HG2      GLU  12  -6.711   4.513  -2.973
   90    HG3  GLU  12           HG3      GLU  12  -7.711   3.847  -4.263
   91    H    ILE  13           H        ILE  13  -8.793   3.595   0.425
   92    HA   ILE  13           HA       ILE  13  -6.966   5.269   1.550
   93    HB   ILE  13           HB       ILE  13  -8.962   3.409   2.817
   94   HG12  ILE  13          HG12      ILE  13  -8.784   6.433   2.640
   95   HG13  ILE  13          HG13      ILE  13  -9.697   5.425   1.516
   96   HG21  ILE  13          HG21      ILE  13  -8.468   5.010   4.864
   97   HG22  ILE  13          HG22      ILE  13  -6.877   5.129   4.115
   98   HG23  ILE  13          HG23      ILE  13  -7.499   3.558   4.618
   99   HD11  ILE  13          HD11      ILE  13 -10.555   4.523   3.989
  100   HD12  ILE  13          HD12      ILE  13 -11.425   5.660   2.958
  101   HD13  ILE  13          HD13      ILE  13 -10.377   6.260   4.243
  102    H    ALA  14           H        ALA  14  -6.835   1.805   1.413
  103    HA   ALA  14           HA       ALA  14  -4.836   1.471   3.451
  104    HB1  ALA  14           HB1      ALA  14  -5.885  -0.540   3.157
  105    HB2  ALA  14           HB2      ALA  14  -4.593  -0.771   1.978
  106    HB3  ALA  14           HB3      ALA  14  -6.191  -0.248   1.444
  107    H    CYS  15           H        CYS  15  -4.849   1.740  -0.077
  108    HA   CYS  15           HA       CYS  15  -2.024   1.331  -0.358
  109    HB2  CYS  15           HB2      CYS  15  -4.132   2.441  -2.219
  110    HB3  CYS  15           HB3      CYS  15  -2.444   2.228  -2.681
  111    H    THR  16           H        THR  16  -4.076   4.029   0.348
  112    HA   THR  16           HA       THR  16  -2.218   6.078  -0.430
  113    HB   THR  16           HB       THR  16  -4.588   6.204   1.451
  114    HG1  THR  16           HG1      THR  16  -4.970   7.385  -0.888
  115   HG21  THR  16          HG21      THR  16  -4.490   8.648   0.830
  116   HG22  THR  16          HG22      THR  16  -2.925   8.331   0.083
  117   HG23  THR  16          HG23      THR  16  -3.137   8.094   1.817
  118    H    LYS  17           H        LYS  17  -2.707   4.085   2.363
  119    HA   LYS  17           HA       LYS  17  -1.142   5.774   4.132
  120    HB2  LYS  17           HB2      LYS  17  -2.244   2.975   4.468
  121    HB3  LYS  17           HB3      LYS  17  -1.425   3.892   5.733
  122    HG2  LYS  17           HG2      LYS  17  -3.531   5.455   4.461
  123    HG3  LYS  17           HG3      LYS  17  -4.156   3.962   5.161
  124    HD2  LYS  17           HD2      LYS  17  -2.928   4.528   7.283
  125    HD3  LYS  17           HD3      LYS  17  -2.530   6.093   6.573
  126    HE2  LYS  17           HE2      LYS  17  -4.773   6.794   6.548
  127    HE3  LYS  17           HE3      LYS  17  -5.386   5.146   6.678
  128    HZ1  LYS  17           HZ1      LYS  17  -4.195   5.143   8.924
  129    HZ2  LYS  17           HZ2      LYS  17  -5.653   6.006   8.798
  130    HZ3  LYS  17           HZ3      LYS  17  -4.169   6.833   8.771
  131    H    CYS  18           H        CYS  18  -0.614   3.191   1.904
  132    HA   CYS  18           HA       CYS  18   1.862   2.257   3.026
  133    HB2  CYS  18           HB2      CYS  18   0.385   1.839   0.453
  134    HB3  CYS  18           HB3      CYS  18   2.080   1.364   0.561
  135    H    ARG  19           H        ARG  19   0.990   4.385   0.312
  136    HA   ARG  19           HA       ARG  19   3.546   4.988  -0.611
  137    HB2  ARG  19           HB2      ARG  19   2.561   6.736  -1.781
  138    HB3  ARG  19           HB3      ARG  19   1.165   5.704  -1.466
  139    HG2  ARG  19           HG2      ARG  19   0.810   7.065   0.666
  140    HG3  ARG  19           HG3      ARG  19   1.996   8.202   0.025
  141    HD2  ARG  19           HD2      ARG  19  -0.125   7.426  -1.879
  142    HD3  ARG  19           HD3      ARG  19  -0.686   8.339  -0.482
  143    HE   ARG  19           HE       ARG  19   1.631   9.411  -1.914
  144   HH11  ARG  19          HH21      ARG  19  -1.772   9.440  -1.280
  145   HH12  ARG  19          HH22      ARG  19  -2.010  11.045  -1.886
  146   HH21  ARG  19          HH11      ARG  19   1.326  11.515  -2.709
  147   HH22  ARG  19          HH12      ARG  19  -0.256  12.220  -2.694
  148    H    ASP  20           H        ASP  20   1.736   6.278   2.112
  149    HA   ASP  20           HA       ASP  20   3.463   8.445   2.720
  150    HB2  ASP  20           HB2      ASP  20   1.200   8.329   3.620
  151    HB3  ASP  20           HB3      ASP  20   1.604   6.860   4.506
  152    H    ARG  21           H        ARG  21   3.483   5.033   3.547
  153    HA   ARG  21           HA       ARG  21   5.354   5.097   5.649
  154    HB2  ARG  21           HB2      ARG  21   3.949   3.121   4.953
  155    HB3  ARG  21           HB3      ARG  21   5.061   2.891   3.603
  156    HG2  ARG  21           HG2      ARG  21   6.946   2.789   5.271
  157    HG3  ARG  21           HG3      ARG  21   5.737   2.804   6.555
  158    HD2  ARG  21           HD2      ARG  21   5.608   0.785   4.322
  159    HD3  ARG  21           HD3      ARG  21   6.608   0.504   5.743
  160    HE   ARG  21           HE       ARG  21   4.629   0.413   7.070
  161   HH11  ARG  21          HH21      ARG  21   4.060   0.927   3.690
  162   HH12  ARG  21          HH22      ARG  21   2.389   0.481   3.766
  163   HH21  ARG  21          HH11      ARG  21   2.440  -0.169   7.170
  164   HH22  ARG  21          HH12      ARG  21   1.473  -0.141   5.733
  165    H    VAL  22           H        VAL  22   5.728   5.341   2.190
  166    HA   VAL  22           HA       VAL  22   8.666   5.419   2.550
  167    HB   VAL  22           HB       VAL  22   7.433   4.901  -0.122
  168   HG11  VAL  22          HG11      VAL  22   9.969   4.128   1.339
  169   HG12  VAL  22          HG12      VAL  22   9.813   5.170  -0.075
  170   HG13  VAL  22          HG13      VAL  22   9.519   3.437  -0.220
  171   HG21  VAL  22          HG21      VAL  22   6.246   3.332   1.321
  172   HG22  VAL  22          HG22      VAL  22   7.755   2.866   2.106
  173   HG23  VAL  22          HG23      VAL  22   7.477   2.453   0.414
  174    H    ARG  23           H        ARG  23   5.871   7.150   1.671
  175    HA   ARG  23           HA       ARG  23   5.527   9.265   0.842
  176    HB2  ARG  23           HB2      ARG  23   8.451   9.746   1.417
  177    HB3  ARG  23           HB3      ARG  23   7.143  10.929   1.391
  178    HG2  ARG  23           HG2      ARG  23   6.126   9.926   3.356
  179    HG3  ARG  23           HG3      ARG  23   7.307   8.615   3.344
  180    HD2  ARG  23           HD2      ARG  23   7.550  11.027   4.721
  181    HD3  ARG  23           HD3      ARG  23   8.841   9.870   4.416
  182    HE   ARG  23           HE       ARG  23   8.328  11.812   2.295
  183   HH11  ARG  23          HH21      ARG  23  10.147  10.863   5.083
  184   HH12  ARG  23          HH22      ARG  23  11.501  11.877   4.716
  185   HH21  ARG  23          HH11      ARG  23  10.101  13.143   1.806
  186   HH22  ARG  23          HH12      ARG  23  11.475  13.170   2.860
  187    H    THR  24           H        THR  24   5.969   7.374  -1.121
  188    HA   THR  24           HA       THR  24   7.197   9.038  -3.195
  189    HB   THR  24           HB       THR  24   7.909   6.114  -2.985
  190    HG1  THR  24           HG1      THR  24   9.290   8.412  -2.071
  191   HG21  THR  24          HG21      THR  24   9.198   8.407  -4.485
  192   HG22  THR  24          HG22      THR  24   8.030   7.297  -5.199
  193   HG23  THR  24          HG23      THR  24   9.586   6.692  -4.630
  194    H    ASP  25           H        ASP  25   5.803   9.193  -4.816
  195    HA   ASP  25           HA       ASP  25   3.380   7.873  -5.029
  196    HB2  ASP  25           HB2      ASP  25   3.588   8.504  -7.530
  197    HB3  ASP  25           HB3      ASP  25   3.605   9.805  -6.341
  198    H    ASP  26           H        ASP  26   6.549   6.924  -6.215
  199    HA   ASP  26           HA       ASP  26   5.731   4.837  -7.936
  200    HB2  ASP  26           HB2      ASP  26   8.261   5.575  -6.535
  201    HB3  ASP  26           HB3      ASP  26   8.125   3.952  -7.207
  202    H    TYR  27           H        TYR  27   5.652   5.122  -4.539
  203    HA   TYR  27           HA       TYR  27   5.596   2.204  -4.168
  204    HB2  TYR  27           HB2      TYR  27   6.396   4.458  -2.518
  205    HB3  TYR  27           HB3      TYR  27   5.250   3.414  -1.677
  206    HD1  TYR  27           HD1      TYR  27   5.697   0.831  -1.867
  207    HD2  TYR  27           HD2      TYR  27   8.659   3.857  -2.584
  208    HE1  TYR  27           HE1      TYR  27   7.493  -0.839  -1.494
  209    HE2  TYR  27           HE2      TYR  27  10.455   2.189  -2.210
  210    HH   TYR  27           HH       TYR  27  10.444  -0.610  -2.479
  211    H    PHE  28           H        PHE  28   3.465   4.473  -5.049
  212    HA   PHE  28           HA       PHE  28   1.288   3.641  -3.273
  213    HB2  PHE  28           HB2      PHE  28   1.224   5.966  -3.686
  214    HB3  PHE  28           HB3      PHE  28   1.566   5.755  -5.405
  215    HD1  PHE  28           HD1      PHE  28  -0.960   4.848  -2.797
  216    HD2  PHE  28           HD2      PHE  28  -0.197   5.681  -6.938
  217    HE1  PHE  28           HE1      PHE  28  -3.388   4.723  -3.268
  218    HE2  PHE  28           HE2      PHE  28  -2.623   5.558  -7.411
  219    HZ   PHE  28           HZ       PHE  28  -4.225   5.079  -5.577
  220    H    TYR  29           H        TYR  29   2.250   3.543  -6.679
  221    HA   TYR  29           HA       TYR  29  -0.061   2.116  -7.571
  222    HB2  TYR  29           HB2      TYR  29   1.774   3.490  -8.901
  223    HB3  TYR  29           HB3      TYR  29   2.555   1.912  -9.003
  224    HD1  TYR  29           HD1      TYR  29  -0.545   3.796  -9.794
  225    HD2  TYR  29           HD2      TYR  29   1.671   0.163 -10.383
  226    HE1  TYR  29           HE1      TYR  29  -2.104   3.140 -11.607
  227    HE2  TYR  29           HE2      TYR  29   0.112  -0.492 -12.198
  228    HH   TYR  29           HH       TYR  29  -1.560   0.200 -13.523
  229    H    GLU  30           H        GLU  30   2.883   1.253  -6.004
  230    HA   GLU  30           HA       GLU  30   3.060  -1.463  -6.820
  231    HB2  GLU  30           HB2      GLU  30   4.271   0.250  -4.734
  232    HB3  GLU  30           HB3      GLU  30   4.213  -1.474  -4.366
  233    HG2  GLU  30           HG2      GLU  30   5.633  -2.034  -6.088
  234    HG3  GLU  30           HG3      GLU  30   5.106  -0.691  -7.100
  235    H    CYS  31           H        CYS  31   1.100   0.230  -4.510
  236    HA   CYS  31           HA       CYS  31   0.364  -2.090  -2.973
  237    HB2  CYS  31           HB2      CYS  31   0.250   0.103  -1.939
  238    HB3  CYS  31           HB3      CYS  31  -0.873   0.665  -3.178
  239    H    CYS  32           H        CYS  32  -1.176  -0.139  -5.514
  240    HA   CYS  32           HA       CYS  32  -3.575  -1.645  -5.643
  241    HB2  CYS  32           HB2      CYS  32  -2.720   0.686  -6.765
  242    HB3  CYS  32           HB3      CYS  32  -2.638  -0.403  -8.150
  243    H    THR  33           H        THR  33  -0.478  -2.597  -6.318
  244    HA   THR  33           HA       THR  33  -1.442  -4.845  -7.932
  245    HB   THR  33           HB       THR  33   1.135  -3.685  -8.829
  246    HG1  THR  33           HG1      THR  33  -1.166  -2.622  -9.968
  247   HG21  THR  33          HG21      THR  33  -1.277  -4.968 -10.133
  248   HG22  THR  33          HG22      THR  33   0.315  -5.686  -9.884
  249   HG23  THR  33          HG23      THR  33   0.112  -4.367 -11.038
  250    H    SER  34           H        SER  34   1.324  -5.631  -8.516
  251    HA   SER  34           HA       SER  34   2.633  -7.290  -7.514
  252    HB2  SER  34           HB2      SER  34   3.998  -5.276  -7.440
  253    HB3  SER  34           HB3      SER  34   3.242  -4.786  -5.927
  254    HG   SER  34           HG       SER  34   4.030  -6.887  -5.122
  255    H    GLU  35           H        GLU  35   1.267  -8.766  -6.543
  256    HA   GLU  35           HA       GLU  35  -0.088  -8.381  -4.094
  257    HB2  GLU  35           HB2      GLU  35  -0.233 -10.867  -4.049
  258    HB3  GLU  35           HB3      GLU  35  -0.713 -10.183  -5.603
  259    HG2  GLU  35           HG2      GLU  35   1.474 -10.686  -6.550
  260    HG3  GLU  35           HG3      GLU  35   2.056 -11.251  -4.985
  261    H    SER  36           H        SER  36   3.158  -9.477  -4.878
  262    HA   SER  36           HA       SER  36   3.933 -10.557  -2.424
  263    HB2  SER  36           HB2      SER  36   5.721 -10.872  -3.754
  264    HB3  SER  36           HB3      SER  36   5.245  -9.555  -4.822
  265    HG   SER  36           HG       SER  36   6.341  -9.072  -2.266
  266    H    THR  37           H        THR  37   4.563  -7.236  -3.586
  267    HA   THR  37           HA       THR  37   5.438  -6.250  -1.086
  268    HB   THR  37           HB       THR  37   4.269  -4.800  -3.474
  269    HG1  THR  37           HG1      THR  37   6.840  -4.377  -3.083
  270   HG21  THR  37          HG21      THR  37   5.051  -3.885  -0.810
  271   HG22  THR  37          HG22      THR  37   4.182  -3.026  -2.081
  272   HG23  THR  37          HG23      THR  37   5.945  -3.072  -2.094
  273    H    PHE  38           H        PHE  38   2.265  -6.452  -2.602
  274    HA   PHE  38           HA       PHE  38   0.797  -4.773  -0.931
  275    HB2  PHE  38           HB2      PHE  38  -0.046  -5.930  -2.996
  276    HB3  PHE  38           HB3      PHE  38  -0.157  -7.416  -2.053
  277    HD1  PHE  38           HD2      PHE  38  -1.339  -3.880  -2.191
  278    HD2  PHE  38           HD1      PHE  38  -2.007  -7.828  -0.635
  279    HE1  PHE  38           HE2      PHE  38  -3.543  -3.162  -1.314
  280    HE2  PHE  38           HE1      PHE  38  -4.212  -7.109   0.241
  281    HZ   PHE  38           HZ       PHE  38  -4.980  -4.775  -0.098
  282    H    LYS  39           H        LYS  39   1.273  -8.298  -0.595
  283    HA   LYS  39           HA       LYS  39  -0.030  -8.723   1.791
  284    HB2  LYS  39           HB2      LYS  39   2.363  -9.989   0.510
  285    HB3  LYS  39           HB3      LYS  39   1.916 -10.463   2.150
  286    HG2  LYS  39           HG2      LYS  39  -0.001 -11.507   1.471
  287    HG3  LYS  39           HG3      LYS  39  -0.313 -10.326   0.198
  288    HD2  LYS  39           HD2      LYS  39   1.585 -11.333  -1.109
  289    HD3  LYS  39           HD3      LYS  39   1.694 -12.596   0.119
  290    HE2  LYS  39           HE2      LYS  39  -0.962 -12.688  -0.411
  291    HE3  LYS  39           HE3      LYS  39  -0.355 -12.177  -1.985
  292    HZ1  LYS  39           HZ1      LYS  39  -0.238 -14.467  -2.093
  293    HZ2  LYS  39           HZ2      LYS  39   0.251 -14.635  -0.475
  294    HZ3  LYS  39           HZ3      LYS  39   1.343 -14.052  -1.639
  295    H    LYS  40           H        LYS  40   3.348  -7.688   1.343
  296    HA   LYS  40           HA       LYS  40   4.044  -7.566   4.065
  297    HB2  LYS  40           HB2      LYS  40   5.774  -7.475   2.400
  298    HB3  LYS  40           HB3      LYS  40   5.078  -6.023   1.680
  299    HG2  LYS  40           HG2      LYS  40   5.946  -4.652   3.283
  300    HG3  LYS  40           HG3      LYS  40   5.674  -5.826   4.571
  301    HD2  LYS  40           HD2      LYS  40   7.598  -7.172   3.596
  302    HD3  LYS  40           HD3      LYS  40   7.945  -5.779   2.572
  303    HE2  LYS  40           HE2      LYS  40   7.599  -5.267   5.487
  304    HE3  LYS  40           HE3      LYS  40   9.079  -6.081   4.984
  305    HZ1  LYS  40           HZ1      LYS  40   9.088  -3.553   5.031
  306    HZ2  LYS  40           HZ2      LYS  40   8.124  -3.632   3.633
  307    HZ3  LYS  40           HZ3      LYS  40   9.685  -4.302   3.630
  308    H    CYS  41           H        CYS  41   2.938  -4.973   1.877
  309    HA   CYS  41           HA       CYS  41   2.921  -2.830   3.586
  310    HB2  CYS  41           HB2      CYS  41   1.715  -3.481   1.099
  311    HB3  CYS  41           HB3      CYS  41   0.464  -2.770   2.119
  312    H    GLN  42           H        GLN  42   0.507  -5.407   3.341
  313    HA   GLN  42           HA       GLN  42  -1.272  -4.269   5.276
  314    HB2  GLN  42           HB2      GLN  42  -1.010  -6.990   4.009
  315    HB3  GLN  42           HB3      GLN  42  -2.184  -6.677   5.288
  316    HG2  GLN  42           HG2      GLN  42  -2.198  -4.611   3.215
  317    HG3  GLN  42           HG3      GLN  42  -2.584  -6.211   2.583
  318   HE21  GLN  42          HE21      GLN  42  -3.628  -3.733   4.914
  319   HE22  GLN  42          HE22      GLN  42  -5.183  -4.372   5.144
  320    H    THR  43           H        THR  43   1.048  -6.973   5.369
  321    HA   THR  43           HA       THR  43   0.770  -7.776   7.988
  322    HB   THR  43           HB       THR  43   3.175  -7.629   6.185
  323    HG1  THR  43           HG1      THR  43   2.055  -9.326   5.608
  324   HG21  THR  43          HG21      THR  43   3.021  -8.445   9.079
  325   HG22  THR  43          HG22      THR  43   4.241  -7.458   8.273
  326   HG23  THR  43          HG23      THR  43   4.187  -9.198   7.990
  327    H    MET  44           H        MET  44   2.442  -4.949   6.729
  328    HA   MET  44           HA       MET  44   3.623  -4.223   9.254
  329    HB2  MET  44           HB2      MET  44   4.602  -3.563   7.065
  330    HB3  MET  44           HB3      MET  44   3.199  -2.532   6.779
  331    HG2  MET  44           HG2      MET  44   3.780  -1.042   8.486
  332    HG3  MET  44           HG3      MET  44   4.778  -2.234   9.321
  333    HE1  MET  44           HE1      MET  44   7.301  -1.419   9.451
  334    HE2  MET  44           HE2      MET  44   8.135  -2.051   8.033
  335    HE3  MET  44           HE3      MET  44   6.873  -3.009   8.806
  336    H    LEU  45           H        LEU  45   0.855  -3.100   7.328
  337    HA   LEU  45           HA       LEU  45   0.016  -1.002   8.964
  338    HB2  LEU  45           HB2      LEU  45  -1.346  -2.822   7.022
  339    HB3  LEU  45           HB3      LEU  45  -2.337  -1.776   8.041
  340    HG   LEU  45           HG       LEU  45  -0.035  -0.814   6.317
  341   HD11  LEU  45          HD11      LEU  45  -2.772   0.057   5.687
  342   HD12  LEU  45          HD12      LEU  45  -2.504  -1.668   5.436
  343   HD13  LEU  45          HD13      LEU  45  -1.489  -0.487   4.607
  344   HD21  LEU  45          HD21      LEU  45  -1.807   0.409   8.351
  345   HD22  LEU  45          HD22      LEU  45  -1.622   1.338   6.864
  346   HD23  LEU  45          HD23      LEU  45  -0.201   0.904   7.814
  347    H    HIS  46           H        HIS  46   0.147  -4.309   9.653
  348    HA   HIS  46           HA       HIS  46  -1.727  -3.963  11.918
  349    HB2  HIS  46           HB2      HIS  46  -1.463  -6.113   9.926
  350    HB3  HIS  46           HB3      HIS  46  -1.548  -6.674  11.596
  351    HD1  HIS  46           HD1      HIS  46  -3.412  -4.309  12.609
  352    HD2  HIS  46           HD2      HIS  46  -4.147  -6.714   9.284
  353    HE1  HIS  46           HE1      HIS  46  -5.909  -4.217  12.196
  354    H    GLN  47           H        GLN  47   1.329  -5.277  10.776
  355    HA   GLN  47           HA       GLN  47   2.092  -5.882  13.564
  356    HB2  GLN  47           HB2      GLN  47   2.297  -7.475  11.342
  357    HB3  GLN  47           HB3      GLN  47   3.905  -6.753  11.419
  358    HG2  GLN  47           HG2      GLN  47   2.490  -8.197  13.679
  359    HG3  GLN  47           HG3      GLN  47   3.846  -8.819  12.741
  360   HE21  GLN  47          HE21      GLN  47   3.382  -7.772  15.724
  361   HE22  GLN  47          HE22      GLN  47   4.778  -6.843  15.984
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1  -9.128   6.855 -13.256
    2    H2   ALA   1           H2       ALA   1  -9.587   6.085 -11.813
    3    H3   ALA   1           H3       ALA   1  -9.972   5.386 -13.313
    4    HA   ALA   1           HA       ALA   1  -7.413   5.427 -13.669
    5    HB1  ALA   1           HB1      ALA   1  -6.121   5.346 -11.694
    6    HB2  ALA   1           HB2      ALA   1  -7.540   5.100 -10.673
    7    HB3  ALA   1           HB3      ALA   1  -7.242   6.677 -11.405
    8    H    ASP   2           H        ASP   2  -9.723   3.974 -11.406
    9    HA   ASP   2           HA       ASP   2 -10.075   1.741 -10.848
   10    HB2  ASP   2           HB2      ASP   2 -10.003   1.070 -13.738
   11    HB3  ASP   2           HB3      ASP   2 -11.263   0.775 -12.541
   12    H    ASP   3           H        ASP   3  -7.183   2.560 -11.345
   13    HA   ASP   3           HA       ASP   3  -5.891   0.293 -12.530
   14    HB2  ASP   3           HB2      ASP   3  -4.977   2.658 -10.919
   15    HB3  ASP   3           HB3      ASP   3  -3.869   1.327 -11.252
   16    H    LYS   4           H        LYS   4  -7.349  -1.183 -11.138
   17    HA   LYS   4           HA       LYS   4  -7.530  -2.743  -9.462
   18    HB2  LYS   4           HB2      LYS   4  -4.579  -2.201  -9.065
   19    HB3  LYS   4           HB3      LYS   4  -5.462  -3.657  -8.607
   20    HG2  LYS   4           HG2      LYS   4  -5.513  -2.745 -11.467
   21    HG3  LYS   4           HG3      LYS   4  -4.106  -3.618 -10.861
   22    HD2  LYS   4           HD2      LYS   4  -6.959  -4.608 -10.603
   23    HD3  LYS   4           HD3      LYS   4  -5.844  -5.119 -11.870
   24    HE2  LYS   4           HE2      LYS   4  -4.287  -5.537  -9.697
   25    HE3  LYS   4           HE3      LYS   4  -5.876  -5.820  -8.986
   26    HZ1  LYS   4           HZ1      LYS   4  -6.168  -7.680 -10.174
   27    HZ2  LYS   4           HZ2      LYS   4  -4.476  -7.657 -10.339
   28    HZ3  LYS   4           HZ3      LYS   4  -5.462  -7.036 -11.576
   29    H    CYS   5           H        CYS   5  -7.042   0.417  -8.889
   30    HA   CYS   5           HA       CYS   5  -7.019   0.104  -5.949
   31    HB2  CYS   5           HB2      CYS   5  -6.083   2.293  -7.774
   32    HB3  CYS   5           HB3      CYS   5  -6.561   2.674  -6.119
   33    H    GLU   6           H        GLU   6  -8.107   2.890  -7.802
   34    HA   GLU   6           HA       GLU   6 -10.265   3.631  -6.382
   35    HB2  GLU   6           HB2      GLU   6  -9.326   4.231  -8.909
   36    HB3  GLU   6           HB3      GLU   6 -10.944   3.604  -9.229
   37    HG2  GLU   6           HG2      GLU   6 -11.703   5.147  -7.291
   38    HG3  GLU   6           HG3      GLU   6 -10.146   5.946  -7.504
   39    H    ASP   7           H        ASP   7 -10.023   0.756  -8.319
   40    HA   ASP   7           HA       ASP   7 -12.731   0.133  -8.679
   41    HB2  ASP   7           HB2      ASP   7 -10.202  -1.451  -8.542
   42    HB3  ASP   7           HB3      ASP   7 -11.738  -2.313  -8.493
   43    H    SER   8           H        SER   8 -11.014   0.484  -5.814
   44    HA   SER   8           HA       SER   8 -13.231  -0.525  -4.255
   45    HB2  SER   8           HB2      SER   8 -11.495  -1.911  -2.853
   46    HB3  SER   8           HB3      SER   8 -12.240  -2.621  -4.282
   47    HG   SER   8           HG       SER   8  -9.872  -1.128  -4.525
   48    H    LEU   9           H        LEU   9 -13.305   1.675  -3.620
   49    HA   LEU   9           HA       LEU   9 -11.355   3.332  -2.695
   50    HB2  LEU   9           HB2      LEU   9 -14.213   2.971  -2.098
   51    HB3  LEU   9           HB3      LEU   9 -13.304   3.799  -0.833
   52    HG   LEU   9           HG       LEU   9 -13.277   4.561  -3.768
   53   HD11  LEU   9          HD11      LEU   9 -15.425   4.941  -2.343
   54   HD12  LEU   9          HD12      LEU   9 -14.772   6.302  -3.254
   55   HD13  LEU   9          HD13      LEU   9 -14.470   6.174  -1.520
   56   HD21  LEU   9          HD21      LEU   9 -12.410   6.659  -2.079
   57   HD22  LEU   9          HD22      LEU   9 -11.427   5.721  -3.202
   58   HD23  LEU   9          HD23      LEU   9 -11.574   5.209  -1.521
   59    H    ARG  10           H        ARG  10 -12.212   0.315  -1.365
   60    HA   ARG  10           HA       ARG  10 -11.336   0.839   1.330
   61    HB2  ARG  10           HB2      ARG  10 -12.955  -1.025   0.359
   62    HB3  ARG  10           HB3      ARG  10 -11.448  -1.928   0.209
   63    HG2  ARG  10           HG2      ARG  10 -11.013  -1.805   2.542
   64    HG3  ARG  10           HG3      ARG  10 -12.214  -0.534   2.779
   65    HD2  ARG  10           HD2      ARG  10 -13.843  -2.050   3.090
   66    HD3  ARG  10           HD3      ARG  10 -13.451  -2.849   1.570
   67    HE   ARG  10           HE       ARG  10 -12.180  -4.407   2.761
   68   HH11  ARG  10          HH21      ARG  10 -13.125  -1.726   4.736
   69   HH12  ARG  10          HH22      ARG  10 -12.635  -2.470   6.222
   70   HH21  ARG  10          HH11      ARG  10 -11.535  -5.389   4.706
   71   HH22  ARG  10          HH12      ARG  10 -11.735  -4.544   6.204
   72    H    ARG  11           H        ARG  11  -9.983  -0.877  -1.481
   73    HA   ARG  11           HA       ARG  11  -7.542  -1.591  -0.218
   74    HB2  ARG  11           HB2      ARG  11  -8.745  -1.840  -2.836
   75    HB3  ARG  11           HB3      ARG  11  -7.052  -1.367  -2.977
   76    HG2  ARG  11           HG2      ARG  11  -6.507  -3.222  -1.331
   77    HG3  ARG  11           HG3      ARG  11  -8.175  -3.768  -1.514
   78    HD2  ARG  11           HD2      ARG  11  -6.762  -3.263  -4.055
   79    HD3  ARG  11           HD3      ARG  11  -6.103  -4.590  -3.103
   80    HE   ARG  11           HE       ARG  11  -8.580  -4.604  -4.527
   81   HH11  ARG  11          HH21      ARG  11  -6.995  -5.680  -1.645
   82   HH12  ARG  11          HH22      ARG  11  -8.004  -7.074  -1.446
   83   HH21  ARG  11          HH11      ARG  11  -9.908  -6.429  -4.272
   84   HH22  ARG  11          HH12      ARG  11  -9.652  -7.498  -2.933
   85    H    GLU  12           H        GLU  12  -8.716   1.372  -1.449
   86    HA   GLU  12           HA       GLU  12  -6.205   2.544  -2.179
   87    HB2  GLU  12           HB2      GLU  12  -8.602   3.275  -2.843
   88    HB3  GLU  12           HB3      GLU  12  -8.611   4.116  -1.294
   89    HG2  GLU  12           HG2      GLU  12  -6.335   5.097  -2.040
   90    HG3  GLU  12           HG3      GLU  12  -6.788   4.558  -3.657
   91    H    ILE  13           H        ILE  13  -8.249   2.644   0.721
   92    HA   ILE  13           HA       ILE  13  -6.819   4.504   2.219
   93    HB   ILE  13           HB       ILE  13  -8.227   2.021   3.227
   94   HG12  ILE  13          HG12      ILE  13  -9.351   4.818   3.075
   95   HG13  ILE  13          HG13      ILE  13  -9.486   3.711   1.707
   96   HG21  ILE  13          HG21      ILE  13  -7.528   4.646   4.581
   97   HG22  ILE  13          HG22      ILE  13  -6.776   3.085   4.911
   98   HG23  ILE  13          HG23      ILE  13  -8.476   3.346   5.301
   99   HD11  ILE  13          HD11      ILE  13 -10.681   2.093   3.050
  100   HD12  ILE  13          HD12      ILE  13 -11.466   3.657   3.266
  101   HD13  ILE  13          HD13      ILE  13 -10.392   3.029   4.517
  102    H    ALA  14           H        ALA  14  -6.472   0.950   2.280
  103    HA   ALA  14           HA       ALA  14  -4.262   0.872   4.013
  104    HB1  ALA  14           HB1      ALA  14  -3.987  -1.400   3.325
  105    HB2  ALA  14           HB2      ALA  14  -4.796  -1.101   1.787
  106    HB3  ALA  14           HB3      ALA  14  -5.720  -1.073   3.288
  107    H    CYS  15           H        CYS  15  -4.427   1.005   0.471
  108    HA   CYS  15           HA       CYS  15  -1.646   0.824  -0.003
  109    HB2  CYS  15           HB2      CYS  15  -3.210   0.440  -1.803
  110    HB3  CYS  15           HB3      CYS  15  -3.865   2.070  -1.640
  111    H    THR  16           H        THR  16  -3.812   3.626   0.316
  112    HA   THR  16           HA       THR  16  -1.930   5.641  -0.170
  113    HB   THR  16           HB       THR  16  -4.231   5.813   1.784
  114    HG1  THR  16           HG1      THR  16  -4.367   6.447  -0.949
  115   HG21  THR  16          HG21      THR  16  -3.059   7.909  -0.055
  116   HG22  THR  16          HG22      THR  16  -2.545   7.702   1.619
  117   HG23  THR  16          HG23      THR  16  -4.211   8.152   1.258
  118    H    LYS  17           H        LYS  17  -2.927   4.137   2.890
  119    HA   LYS  17           HA       LYS  17  -1.292   5.617   4.608
  120    HB2  LYS  17           HB2      LYS  17  -2.762   3.066   4.716
  121    HB3  LYS  17           HB3      LYS  17  -1.398   3.183   5.827
  122    HG2  LYS  17           HG2      LYS  17  -2.306   5.438   6.546
  123    HG3  LYS  17           HG3      LYS  17  -3.755   5.069   5.610
  124    HD2  LYS  17           HD2      LYS  17  -4.189   3.098   6.956
  125    HD3  LYS  17           HD3      LYS  17  -2.663   3.303   7.817
  126    HE2  LYS  17           HE2      LYS  17  -5.069   5.140   7.893
  127    HE3  LYS  17           HE3      LYS  17  -4.405   4.196   9.226
  128    HZ1  LYS  17           HZ1      LYS  17  -3.206   6.540   7.875
  129    HZ2  LYS  17           HZ2      LYS  17  -2.295   5.499   8.859
  130    HZ3  LYS  17           HZ3      LYS  17  -3.601   6.366   9.514
  131    H    CYS  18           H        CYS  18  -0.505   3.091   2.373
  132    HA   CYS  18           HA       CYS  18   1.993   2.357   3.610
  133    HB2  CYS  18           HB2      CYS  18   0.404   1.494   1.342
  134    HB3  CYS  18           HB3      CYS  18   2.107   1.641   0.907
  135    H    ARG  19           H        ARG  19   1.119   4.205   0.677
  136    HA   ARG  19           HA       ARG  19   3.812   5.055   0.205
  137    HB2  ARG  19           HB2      ARG  19   2.295   4.925  -1.663
  138    HB3  ARG  19           HB3      ARG  19   1.167   6.036  -0.887
  139    HG2  ARG  19           HG2      ARG  19   3.989   6.946  -1.287
  140    HG3  ARG  19           HG3      ARG  19   2.926   6.900  -2.692
  141    HD2  ARG  19           HD2      ARG  19   1.643   8.092  -0.344
  142    HD3  ARG  19           HD3      ARG  19   3.082   8.968  -0.852
  143    HE   ARG  19           HE       ARG  19   2.037   9.386  -2.955
  144   HH11  ARG  19          HH21      ARG  19   0.079   7.626  -0.700
  145   HH12  ARG  19          HH22      ARG  19  -1.403   7.935  -1.541
  146   HH21  ARG  19          HH11      ARG  19   0.096   9.787  -4.057
  147   HH22  ARG  19          HH12      ARG  19  -1.393   9.155  -3.439
  148    H    ASP  20           H        ASP  20   0.926   6.626   1.579
  149    HA   ASP  20           HA       ASP  20   1.984   9.170   1.990
  150    HB2  ASP  20           HB2      ASP  20  -0.406   8.071   2.502
  151    HB3  ASP  20           HB3      ASP  20   0.260   8.037   4.134
  152    H    ARG  21           H        ARG  21   2.894   6.211   3.386
  153    HA   ARG  21           HA       ARG  21   4.049   7.426   5.784
  154    HB2  ARG  21           HB2      ARG  21   3.058   4.873   5.172
  155    HB3  ARG  21           HB3      ARG  21   4.801   4.665   5.320
  156    HG2  ARG  21           HG2      ARG  21   4.801   5.671   7.521
  157    HG3  ARG  21           HG3      ARG  21   3.102   6.117   7.366
  158    HD2  ARG  21           HD2      ARG  21   2.804   3.514   6.949
  159    HD3  ARG  21           HD3      ARG  21   4.319   3.423   7.841
  160    HE   ARG  21           HE       ARG  21   2.340   5.069   9.144
  161   HH11  ARG  21          HH21      ARG  21   3.509   1.855   8.606
  162   HH12  ARG  21          HH22      ARG  21   2.863   1.224  10.084
  163   HH21  ARG  21          HH11      ARG  21   1.493   4.249  11.083
  164   HH22  ARG  21          HH12      ARG  21   1.723   2.580  11.487
  165    H    VAL  22           H        VAL  22   4.956   6.245   2.634
  166    HA   VAL  22           HA       VAL  22   7.809   6.658   3.261
  167    HB   VAL  22           HB       VAL  22   6.781   5.441   0.714
  168   HG11  VAL  22          HG11      VAL  22   9.226   4.685   2.299
  169   HG12  VAL  22          HG12      VAL  22   9.242   6.121   1.275
  170   HG13  VAL  22          HG13      VAL  22   8.941   4.535   0.565
  171   HG21  VAL  22          HG21      VAL  22   7.405   3.283   2.280
  172   HG22  VAL  22          HG22      VAL  22   5.760   3.859   2.000
  173   HG23  VAL  22          HG23      VAL  22   6.630   4.346   3.455
  174    H    ARG  23           H        ARG  23   5.166   8.178   1.889
  175    HA   ARG  23           HA       ARG  23   4.890   9.955   0.449
  176    HB2  ARG  23           HB2      ARG  23   7.693  10.731   1.246
  177    HB3  ARG  23           HB3      ARG  23   6.328  11.784   0.869
  178    HG2  ARG  23           HG2      ARG  23   5.142  10.837   2.883
  179    HG3  ARG  23           HG3      ARG  23   6.639   9.997   3.297
  180    HD2  ARG  23           HD2      ARG  23   6.060  12.942   3.299
  181    HD3  ARG  23           HD3      ARG  23   6.851  11.964   4.532
  182    HE   ARG  23           HE       ARG  23   8.492  11.872   2.286
  183   HH11  ARG  23          HH21      ARG  23   7.191  14.223   4.467
  184   HH12  ARG  23          HH22      ARG  23   8.528  15.312   4.308
  185   HH21  ARG  23          HH11      ARG  23  10.248  13.293   2.072
  186   HH22  ARG  23          HH12      ARG  23  10.260  14.785   2.951
  187    H    THR  24           H        THR  24   5.810   7.598  -0.831
  188    HA   THR  24           HA       THR  24   7.539   8.754  -2.937
  189    HB   THR  24           HB       THR  24   7.347   5.798  -2.567
  190    HG1  THR  24           HG1      THR  24   8.675   5.816  -0.877
  191   HG21  THR  24          HG21      THR  24   9.272   5.798  -3.800
  192   HG22  THR  24          HG22      THR  24   9.892   7.255  -3.022
  193   HG23  THR  24          HG23      THR  24   8.688   7.384  -4.304
  194    H    ASP  25           H        ASP  25   6.443   9.124  -4.743
  195    HA   ASP  25           HA       ASP  25   3.831   8.230  -5.264
  196    HB2  ASP  25           HB2      ASP  25   5.578   8.847  -7.583
  197    HB3  ASP  25           HB3      ASP  25   3.979   9.468  -7.177
  198    H    ASP  26           H        ASP  26   6.487   6.372  -5.054
  199    HA   ASP  26           HA       ASP  26   5.773   4.582  -7.280
  200    HB2  ASP  26           HB2      ASP  26   8.240   5.181  -5.807
  201    HB3  ASP  26           HB3      ASP  26   7.964   3.460  -6.067
  202    H    TYR  27           H        TYR  27   6.153   4.663  -3.755
  203    HA   TYR  27           HA       TYR  27   5.764   2.004  -3.129
  204    HB2  TYR  27           HB2      TYR  27   5.595   4.511  -1.743
  205    HB3  TYR  27           HB3      TYR  27   4.240   3.491  -1.258
  206    HD1  TYR  27           HD1      TYR  27   7.895   3.064  -2.040
  207    HD2  TYR  27           HD2      TYR  27   4.616   2.097   0.563
  208    HE1  TYR  27           HE1      TYR  27   9.415   1.704  -0.628
  209    HE2  TYR  27           HE2      TYR  27   6.138   0.738   1.973
  210    HH   TYR  27           HH       TYR  27   9.128   0.961   2.193
  211    H    PHE  28           H        PHE  28   3.215   4.481  -3.515
  212    HA   PHE  28           HA       PHE  28   0.992   2.891  -3.111
  213    HB2  PHE  28           HB2      PHE  28   1.169   5.431  -3.589
  214    HB3  PHE  28           HB3      PHE  28   1.054   4.965  -5.288
  215    HD1  PHE  28           HD1      PHE  28  -0.951   3.756  -6.127
  216    HD2  PHE  28           HD2      PHE  28  -0.718   5.258  -2.110
  217    HE1  PHE  28           HE1      PHE  28  -3.404   3.503  -5.891
  218    HE2  PHE  28           HE2      PHE  28  -3.170   5.004  -1.874
  219    HZ   PHE  28           HZ       PHE  28  -4.517   4.126  -3.764
  220    H    TYR  29           H        TYR  29   2.373   3.713  -6.300
  221    HA   TYR  29           HA       TYR  29   0.869   2.068  -7.897
  222    HB2  TYR  29           HB2      TYR  29   2.753   3.697  -8.551
  223    HB3  TYR  29           HB3      TYR  29   3.838   2.326  -8.324
  224    HD1  TYR  29           HD1      TYR  29   0.563   3.135  -9.975
  225    HD2  TYR  29           HD2      TYR  29   4.249   0.936 -10.147
  226    HE1  TYR  29           HE1      TYR  29  -0.060   2.267 -12.213
  227    HE2  TYR  29           HE2      TYR  29   3.627   0.069 -12.385
  228    HH   TYR  29           HH       TYR  29   1.781   1.209 -14.350
  229    H    GLU  30           H        GLU  30   3.601   1.171  -5.857
  230    HA   GLU  30           HA       GLU  30   3.857  -1.492  -6.858
  231    HB2  GLU  30           HB2      GLU  30   4.799  -0.117  -4.345
  232    HB3  GLU  30           HB3      GLU  30   5.087  -1.833  -4.634
  233    HG2  GLU  30           HG2      GLU  30   5.914   0.404  -6.507
  234    HG3  GLU  30           HG3      GLU  30   6.992  -0.423  -5.385
  235    H    CYS  31           H        CYS  31   1.708   0.052  -4.651
  236    HA   CYS  31           HA       CYS  31   0.952  -2.304  -3.186
  237    HB2  CYS  31           HB2      CYS  31  -0.567  -0.929  -2.072
  238    HB3  CYS  31           HB3      CYS  31   0.697   0.211  -2.533
  239    H    CYS  32           H        CYS  32  -0.580  -0.389  -5.779
  240    HA   CYS  32           HA       CYS  32  -2.781  -2.188  -6.076
  241    HB2  CYS  32           HB2      CYS  32  -2.067   0.368  -7.049
  242    HB3  CYS  32           HB3      CYS  32  -2.312  -0.659  -8.462
  243    H    THR  33           H        THR  33   0.397  -2.649  -6.764
  244    HA   THR  33           HA       THR  33   0.199  -3.870  -9.361
  245    HB   THR  33           HB       THR  33   2.387  -4.502  -7.410
  246    HG1  THR  33           HG1      THR  33   2.013  -2.263  -7.260
  247   HG21  THR  33          HG21      THR  33   2.120  -5.355  -9.862
  248   HG22  THR  33          HG22      THR  33   3.691  -4.744  -9.345
  249   HG23  THR  33          HG23      THR  33   2.621  -3.725 -10.307
  250    H    SER  34           H        SER  34   1.901  -6.173  -8.395
  251    HA   SER  34           HA       SER  34   0.029  -8.206  -8.452
  252    HB2  SER  34           HB2      SER  34   2.707  -8.183  -8.447
  253    HB3  SER  34           HB3      SER  34   2.444  -8.647  -6.768
  254    HG   SER  34           HG       SER  34   2.350 -10.542  -7.789
  255    H    GLU  35           H        GLU  35  -0.574  -9.738  -6.722
  256    HA   GLU  35           HA       GLU  35  -1.808  -8.372  -4.542
  257    HB2  GLU  35           HB2      GLU  35  -2.702 -10.444  -5.648
  258    HB3  GLU  35           HB3      GLU  35  -1.414 -11.353  -4.859
  259    HG2  GLU  35           HG2      GLU  35  -2.773  -9.645  -2.952
  260    HG3  GLU  35           HG3      GLU  35  -3.922 -10.702  -3.771
  261    H    SER  36           H        SER  36   1.058 -10.406  -4.877
  262    HA   SER  36           HA       SER  36   1.688 -10.871  -2.219
  263    HB2  SER  36           HB2      SER  36   4.082 -10.213  -3.678
  264    HB3  SER  36           HB3      SER  36   3.503 -11.791  -3.151
  265    HG   SER  36           HG       SER  36   2.694 -12.135  -5.077
  266    H    THR  37           H        THR  37   2.684  -8.096  -4.232
  267    HA   THR  37           HA       THR  37   4.128  -6.679  -2.329
  268    HB   THR  37           HB       THR  37   2.866  -4.683  -3.729
  269    HG1  THR  37           HG1      THR  37   2.383  -7.102  -4.922
  270   HG21  THR  37          HG21      THR  37   4.821  -5.138  -5.403
  271   HG22  THR  37          HG22      THR  37   5.262  -6.417  -4.270
  272   HG23  THR  37          HG23      THR  37   5.206  -4.738  -3.729
  273    H    PHE  38           H        PHE  38   0.648  -6.496  -3.046
  274    HA   PHE  38           HA       PHE  38  -0.079  -4.558  -1.181
  275    HB2  PHE  38           HB2      PHE  38  -1.399  -6.303  -2.940
  276    HB3  PHE  38           HB3      PHE  38  -2.066  -6.662  -1.349
  277    HD1  PHE  38           HD2      PHE  38  -1.879  -4.039   0.000
  278    HD2  PHE  38           HD1      PHE  38  -3.043  -5.010  -4.019
  279    HE1  PHE  38           HE2      PHE  38  -3.238  -1.967  -0.108
  280    HE2  PHE  38           HE1      PHE  38  -4.402  -2.939  -4.127
  281    HZ   PHE  38           HZ       PHE  38  -4.499  -1.416  -2.172
  282    H    LYS  39           H        LYS  39  -0.226  -8.103  -0.782
  283    HA   LYS  39           HA       LYS  39  -1.034  -8.333   1.807
  284    HB2  LYS  39           HB2      LYS  39  -0.227 -10.136   0.085
  285    HB3  LYS  39           HB3      LYS  39   1.317  -9.967   0.921
  286    HG2  LYS  39           HG2      LYS  39   0.373 -11.592   2.253
  287    HG3  LYS  39           HG3      LYS  39  -0.268 -10.167   3.070
  288    HD2  LYS  39           HD2      LYS  39  -2.337 -10.322   1.746
  289    HD3  LYS  39           HD3      LYS  39  -1.699 -11.733   0.903
  290    HE2  LYS  39           HE2      LYS  39  -2.660 -12.971   2.532
  291    HE3  LYS  39           HE3      LYS  39  -1.374 -12.382   3.586
  292    HZ1  LYS  39           HZ1      LYS  39  -4.151 -11.478   3.356
  293    HZ2  LYS  39           HZ2      LYS  39  -2.965 -10.339   3.783
  294    HZ3  LYS  39           HZ3      LYS  39  -3.206 -11.720   4.743
  295    H    LYS  40           H        LYS  40   2.101  -7.242   0.670
  296    HA   LYS  40           HA       LYS  40   3.446  -7.384   3.178
  297    HB2  LYS  40           HB2      LYS  40   4.261  -6.935   0.631
  298    HB3  LYS  40           HB3      LYS  40   4.287  -5.289   1.267
  299    HG2  LYS  40           HG2      LYS  40   5.559  -6.261   3.278
  300    HG3  LYS  40           HG3      LYS  40   5.780  -7.708   2.292
  301    HD2  LYS  40           HD2      LYS  40   6.571  -4.920   1.404
  302    HD3  LYS  40           HD3      LYS  40   7.688  -6.079   2.127
  303    HE2  LYS  40           HE2      LYS  40   8.034  -6.602  -0.088
  304    HE3  LYS  40           HE3      LYS  40   6.657  -7.659   0.222
  305    HZ1  LYS  40           HZ1      LYS  40   5.865  -4.996  -0.458
  306    HZ2  LYS  40           HZ2      LYS  40   5.375  -6.477  -1.132
  307    HZ3  LYS  40           HZ3      LYS  40   6.791  -5.715  -1.683
  308    H    CYS  41           H        CYS  41   1.880  -4.698   1.431
  309    HA   CYS  41           HA       CYS  41   2.328  -2.562   3.028
  310    HB2  CYS  41           HB2      CYS  41   0.807  -2.623   1.027
  311    HB3  CYS  41           HB3      CYS  41  -0.445  -3.299   2.069
  312    H    GLN  42           H        GLN  42   0.210  -5.283   3.762
  313    HA   GLN  42           HA       GLN  42  -0.854  -4.148   6.173
  314    HB2  GLN  42           HB2      GLN  42  -1.425  -6.367   4.573
  315    HB3  GLN  42           HB3      GLN  42  -0.873  -7.052   6.101
  316    HG2  GLN  42           HG2      GLN  42  -2.452  -5.350   7.223
  317    HG3  GLN  42           HG3      GLN  42  -3.169  -5.154   5.625
  318   HE21  GLN  42          HE21      GLN  42  -3.462  -7.575   4.552
  319   HE22  GLN  42          HE22      GLN  42  -4.278  -8.655   5.577
  320    H    THR  43           H        THR  43   1.724  -6.465   5.416
  321    HA   THR  43           HA       THR  43   2.443  -7.256   7.975
  322    HB   THR  43           HB       THR  43   4.266  -6.712   5.620
  323    HG1  THR  43           HG1      THR  43   3.128  -8.308   4.875
  324   HG21  THR  43          HG21      THR  43   5.772  -7.011   7.348
  325   HG22  THR  43          HG22      THR  43   5.479  -8.694   6.906
  326   HG23  THR  43          HG23      THR  43   4.650  -7.990   8.295
  327    H    MET  44           H        MET  44   3.306  -4.319   6.211
  328    HA   MET  44           HA       MET  44   5.164  -3.356   8.158
  329    HB2  MET  44           HB2      MET  44   5.011  -2.656   5.714
  330    HB3  MET  44           HB3      MET  44   3.621  -1.674   6.182
  331    HG2  MET  44           HG2      MET  44   4.943  -0.363   7.691
  332    HG3  MET  44           HG3      MET  44   6.308  -1.472   7.560
  333    HE1  MET  44           HE1      MET  44   7.477   0.456   7.510
  334    HE2  MET  44           HE2      MET  44   7.570   1.704   6.270
  335    HE3  MET  44           HE3      MET  44   8.450   0.194   6.056
  336    H    LEU  45           H        LEU  45   1.745  -2.668   7.463
  337    HA   LEU  45           HA       LEU  45   1.228  -0.630   9.226
  338    HB2  LEU  45           HB2      LEU  45  -0.376  -2.918   8.192
  339    HB3  LEU  45           HB3      LEU  45  -1.037  -2.006   9.550
  340    HG   LEU  45           HG       LEU  45   0.004  -0.671   7.041
  341   HD11  LEU  45          HD11      LEU  45  -2.317  -0.516   6.293
  342   HD12  LEU  45          HD12      LEU  45  -2.864  -1.389   7.725
  343   HD13  LEU  45          HD13      LEU  45  -1.884  -2.212   6.510
  344   HD21  LEU  45          HD21      LEU  45  -0.146   0.996   8.641
  345   HD22  LEU  45          HD22      LEU  45  -1.410   0.161   9.544
  346   HD23  LEU  45          HD23      LEU  45  -1.808   1.011   8.050
  347    H    HIS  46           H        HIS  46   1.103  -4.119   9.986
  348    HA   HIS  46           HA       HIS  46   2.284  -3.873  12.523
  349    HB2  HIS  46           HB2      HIS  46  -0.227  -2.806  12.619
  350    HB3  HIS  46           HB3      HIS  46  -0.551  -4.481  13.063
  351    HD1  HIS  46           HD1      HIS  46   1.598  -5.350  14.822
  352    HD2  HIS  46           HD2      HIS  46   0.296  -1.390  14.921
  353    HE1  HIS  46           HE1      HIS  46   2.314  -4.416  17.064
  354    H    GLN  47           H        GLN  47   3.048  -5.667  10.954
  355    HA   GLN  47           HA       GLN  47   3.355  -7.918  10.616
  356    HB2  GLN  47           HB2      GLN  47   2.952  -7.762  13.216
  357    HB3  GLN  47           HB3      GLN  47   1.434  -8.566  12.817
  358    HG2  GLN  47           HG2      GLN  47   4.159  -9.558  11.939
  359    HG3  GLN  47           HG3      GLN  47   3.300 -10.160  13.355
  360   HE21  GLN  47          HE21      GLN  47   3.960 -11.198  10.390
  361   HE22  GLN  47          HE22      GLN  47   2.498 -11.943   9.961
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1  -9.743   3.383 -13.564
    2    H2   ALA   1           H2       ALA   1 -10.796   2.051 -13.612
    3    H3   ALA   1           H3       ALA   1 -10.263   2.768 -15.057
    4    HA   ALA   1           HA       ALA   1  -8.656   1.263 -15.124
    5    HB1  ALA   1           HB1      ALA   1  -6.699   1.801 -13.915
    6    HB2  ALA   1           HB2      ALA   1  -7.613   2.379 -12.522
    7    HB3  ALA   1           HB3      ALA   1  -7.570   3.332 -14.006
    8    H    ASP   2           H        ASP   2 -10.208   1.516 -11.985
    9    HA   ASP   2           HA       ASP   2 -10.409  -0.044 -10.260
   10    HB2  ASP   2           HB2      ASP   2 -11.678  -2.028 -11.074
   11    HB3  ASP   2           HB3      ASP   2 -12.314  -0.503 -11.687
   12    H    ASP   3           H        ASP   3  -7.725   0.008 -11.285
   13    HA   ASP   3           HA       ASP   3  -6.833  -2.705 -11.680
   14    HB2  ASP   3           HB2      ASP   3  -4.548  -1.639 -11.351
   15    HB3  ASP   3           HB3      ASP   3  -5.503  -1.011 -12.694
   16    H    LYS   4           H        LYS   4  -8.112  -3.318  -9.632
   17    HA   LYS   4           HA       LYS   4  -8.068  -4.127  -7.486
   18    HB2  LYS   4           HB2      LYS   4  -5.085  -3.663  -7.599
   19    HB3  LYS   4           HB3      LYS   4  -5.958  -4.828  -6.604
   20    HG2  LYS   4           HG2      LYS   4  -6.734  -5.974  -8.672
   21    HG3  LYS   4           HG3      LYS   4  -5.775  -4.845  -9.630
   22    HD2  LYS   4           HD2      LYS   4  -4.058  -5.873  -7.614
   23    HD3  LYS   4           HD3      LYS   4  -4.914  -7.251  -8.308
   24    HE2  LYS   4           HE2      LYS   4  -4.286  -6.467 -10.582
   25    HE3  LYS   4           HE3      LYS   4  -3.373  -5.145  -9.854
   26    HZ1  LYS   4           HZ1      LYS   4  -1.941  -7.012 -10.382
   27    HZ2  LYS   4           HZ2      LYS   4  -2.882  -8.041  -9.412
   28    HZ3  LYS   4           HZ3      LYS   4  -2.005  -6.770  -8.705
   29    H    CYS   5           H        CYS   5  -7.114  -1.024  -8.274
   30    HA   CYS   5           HA       CYS   5  -6.931  -0.198  -5.444
   31    HB2  CYS   5           HB2      CYS   5  -6.102   1.235  -7.977
   32    HB3  CYS   5           HB3      CYS   5  -6.014   1.931  -6.358
   33    H    GLU   6           H        GLU   6  -8.074   1.374  -8.438
   34    HA   GLU   6           HA       GLU   6 -10.059   2.898  -7.109
   35    HB2  GLU   6           HB2      GLU   6  -9.235   3.669  -9.227
   36    HB3  GLU   6           HB3      GLU   6  -9.694   2.162 -10.020
   37    HG2  GLU   6           HG2      GLU   6 -12.030   2.629  -9.747
   38    HG3  GLU   6           HG3      GLU   6 -11.698   3.979  -8.665
   39    H    ASP   7           H        ASP   7  -9.936  -0.377  -7.861
   40    HA   ASP   7           HA       ASP   7 -12.653  -0.891  -8.521
   41    HB2  ASP   7           HB2      ASP   7 -10.861  -2.515  -8.951
   42    HB3  ASP   7           HB3      ASP   7 -10.601  -2.695  -7.217
   43    H    SER   8           H        SER   8 -10.868  -0.784  -5.464
   44    HA   SER   8           HA       SER   8 -13.462  -0.748  -4.051
   45    HB2  SER   8           HB2      SER   8 -12.047  -1.907  -2.165
   46    HB3  SER   8           HB3      SER   8 -12.752  -2.873  -3.459
   47    HG   SER   8           HG       SER   8 -10.783  -2.916  -4.476
   48    H    LEU   9           H        LEU   9 -13.610   1.318  -3.416
   49    HA   LEU   9           HA       LEU   9 -11.481   3.065  -2.877
   50    HB2  LEU   9           HB2      LEU   9 -13.996   3.564  -3.257
   51    HB3  LEU   9           HB3      LEU   9 -14.159   3.294  -1.523
   52    HG   LEU   9           HG       LEU   9 -12.435   5.017  -1.098
   53   HD11  LEU   9          HD11      LEU   9 -10.996   5.274  -2.851
   54   HD12  LEU   9          HD12      LEU   9 -12.173   6.474  -3.385
   55   HD13  LEU   9          HD13      LEU   9 -12.219   4.839  -4.045
   56   HD21  LEU   9          HD21      LEU   9 -14.456   6.098  -0.953
   57   HD22  LEU   9          HD22      LEU   9 -14.973   5.563  -2.551
   58   HD23  LEU   9          HD23      LEU   9 -13.858   6.920  -2.393
   59    H    ARG  10           H        ARG  10 -12.702   0.457  -1.073
   60    HA   ARG  10           HA       ARG  10 -11.905   1.463   1.529
   61    HB2  ARG  10           HB2      ARG  10 -13.083  -1.086   0.484
   62    HB3  ARG  10           HB3      ARG  10 -12.318  -1.078   2.073
   63    HG2  ARG  10           HG2      ARG  10 -13.765   0.818   2.748
   64    HG3  ARG  10           HG3      ARG  10 -14.551   0.765   1.170
   65    HD2  ARG  10           HD2      ARG  10 -15.063  -1.698   1.697
   66    HD3  ARG  10           HD3      ARG  10 -14.612  -1.316   3.357
   67    HE   ARG  10           HE       ARG  10 -16.978  -0.346   1.929
   68   HH11  ARG  10          HH21      ARG  10 -14.897  -0.252   4.694
   69   HH12  ARG  10          HH22      ARG  10 -16.066   0.510   5.720
   70   HH21  ARG  10          HH11      ARG  10 -18.514   0.655   3.270
   71   HH22  ARG  10          HH12      ARG  10 -18.113   1.022   4.914
   72    H    ARG  11           H        ARG  11 -10.714  -0.909  -0.832
   73    HA   ARG  11           HA       ARG  11  -8.428  -1.627   0.763
   74    HB2  ARG  11           HB2      ARG  11  -8.919  -2.098  -2.187
   75    HB3  ARG  11           HB3      ARG  11  -7.742  -2.929  -1.171
   76    HG2  ARG  11           HG2      ARG  11 -10.695  -2.947  -0.535
   77    HG3  ARG  11           HG3      ARG  11  -9.959  -4.156  -1.588
   78    HD2  ARG  11           HD2      ARG  11  -8.329  -3.887   0.750
   79    HD3  ARG  11           HD3      ARG  11  -9.999  -4.101   1.264
   80    HE   ARG  11           HE       ARG  11  -9.219  -5.961  -0.793
   81   HH11  ARG  11          HH21      ARG  11  -9.159  -5.232   2.589
   82   HH12  ARG  11          HH22      ARG  11  -9.035  -6.886   3.085
   83   HH21  ARG  11          HH11      ARG  11  -9.057  -8.135  -0.149
   84   HH22  ARG  11          HH12      ARG  11  -8.975  -8.529   1.536
   85    H    GLU  12           H        GLU  12  -9.179   0.814  -1.577
   86    HA   GLU  12           HA       GLU  12  -6.517   1.411  -2.404
   87    HB2  GLU  12           HB2      GLU  12  -8.757   2.111  -3.495
   88    HB3  GLU  12           HB3      GLU  12  -8.747   3.430  -2.323
   89    HG2  GLU  12           HG2      GLU  12  -6.680   4.286  -3.161
   90    HG3  GLU  12           HG3      GLU  12  -6.385   2.834  -4.115
   91    H    ILE  13           H        ILE  13  -8.710   3.161  -0.183
   92    HA   ILE  13           HA       ILE  13  -6.983   5.068   0.772
   93    HB   ILE  13           HB       ILE  13  -9.166   3.531   2.175
   94   HG12  ILE  13          HG12      ILE  13  -9.096   6.459   1.466
   95   HG13  ILE  13          HG13      ILE  13  -9.504   5.258   0.240
   96   HG21  ILE  13          HG21      ILE  13  -7.317   5.675   3.205
   97   HG22  ILE  13          HG22      ILE  13  -7.854   4.199   4.007
   98   HG23  ILE  13          HG23      ILE  13  -8.968   5.553   3.813
   99   HD11  ILE  13          HD11      ILE  13 -11.573   5.986   1.241
  100   HD12  ILE  13          HD12      ILE  13 -10.930   5.753   2.866
  101   HD13  ILE  13          HD13      ILE  13 -11.248   4.357   1.835
  102    H    ALA  14           H        ALA  14  -7.076   1.651   1.549
  103    HA   ALA  14           HA       ALA  14  -5.297   1.799   3.791
  104    HB1  ALA  14           HB1      ALA  14  -6.421  -0.185   3.909
  105    HB2  ALA  14           HB2      ALA  14  -5.038  -0.756   2.976
  106    HB3  ALA  14           HB3      ALA  14  -6.544  -0.341   2.157
  107    H    CYS  15           H        CYS  15  -4.938   1.374   0.324
  108    HA   CYS  15           HA       CYS  15  -2.148   0.678   0.434
  109    HB2  CYS  15           HB2      CYS  15  -4.023   1.491  -1.784
  110    HB3  CYS  15           HB3      CYS  15  -2.300   1.239  -2.065
  111    H    THR  16           H        THR  16  -3.945   3.577   0.641
  112    HA   THR  16           HA       THR  16  -1.894   5.332  -0.387
  113    HB   THR  16           HB       THR  16  -4.228   6.094   1.372
  114    HG1  THR  16           HG1      THR  16  -5.238   6.439  -0.735
  115   HG21  THR  16          HG21      THR  16  -3.968   8.247   0.435
  116   HG22  THR  16          HG22      THR  16  -2.967   7.643  -0.886
  117   HG23  THR  16          HG23      THR  16  -2.316   7.714   0.751
  118    H    LYS  17           H        LYS  17  -3.163   4.504   2.836
  119    HA   LYS  17           HA       LYS  17  -1.521   6.139   4.382
  120    HB2  LYS  17           HB2      LYS  17  -3.057   3.648   4.814
  121    HB3  LYS  17           HB3      LYS  17  -1.761   3.955   5.970
  122    HG2  LYS  17           HG2      LYS  17  -3.843   4.973   6.763
  123    HG3  LYS  17           HG3      LYS  17  -2.677   6.232   6.358
  124    HD2  LYS  17           HD2      LYS  17  -3.789   6.228   4.019
  125    HD3  LYS  17           HD3      LYS  17  -5.108   5.357   4.803
  126    HE2  LYS  17           HE2      LYS  17  -4.052   8.104   5.517
  127    HE3  LYS  17           HE3      LYS  17  -5.651   7.707   4.886
  128    HZ1  LYS  17           HZ1      LYS  17  -4.663   7.568   7.575
  129    HZ2  LYS  17           HZ2      LYS  17  -5.426   6.132   7.083
  130    HZ3  LYS  17           HZ3      LYS  17  -6.261   7.609   7.010
  131    H    CYS  18           H        CYS  18  -0.746   3.341   2.535
  132    HA   CYS  18           HA       CYS  18   1.645   2.636   3.980
  133    HB2  CYS  18           HB2      CYS  18   0.108   1.218   2.342
  134    HB3  CYS  18           HB3      CYS  18   1.238   1.833   1.136
  135    H    ARG  19           H        ARG  19   1.031   4.120   0.783
  136    HA   ARG  19           HA       ARG  19   3.761   4.709   0.279
  137    HB2  ARG  19           HB2      ARG  19   3.029   5.789  -1.652
  138    HB3  ARG  19           HB3      ARG  19   1.754   4.609  -1.370
  139    HG2  ARG  19           HG2      ARG  19   0.449   6.484  -1.665
  140    HG3  ARG  19           HG3      ARG  19   0.736   6.627   0.067
  141    HD2  ARG  19           HD2      ARG  19   1.427   8.731  -0.525
  142    HD3  ARG  19           HD3      ARG  19   2.939   7.890  -0.852
  143    HE   ARG  19           HE       ARG  19   2.621   8.377  -3.084
  144   HH11  ARG  19          HH21      ARG  19  -0.406   8.407  -1.406
  145   HH12  ARG  19          HH22      ARG  19  -1.321   8.923  -2.783
  146   HH21  ARG  19          HH11      ARG  19   1.426   9.054  -4.893
  147   HH22  ARG  19          HH12      ARG  19  -0.283   9.292  -4.756
  148    H    ASP  20           H        ASP  20   1.179   6.460   1.878
  149    HA   ASP  20           HA       ASP  20   2.495   8.984   1.985
  150    HB2  ASP  20           HB2      ASP  20   0.086   7.755   3.139
  151    HB3  ASP  20           HB3      ASP  20   0.833   8.982   4.161
  152    H    ARG  21           H        ARG  21   2.500   6.124   4.020
  153    HA   ARG  21           HA       ARG  21   3.862   7.306   6.234
  154    HB2  ARG  21           HB2      ARG  21   2.513   5.132   6.218
  155    HB3  ARG  21           HB3      ARG  21   3.930   4.385   5.480
  156    HG2  ARG  21           HG2      ARG  21   4.670   4.074   7.597
  157    HG3  ARG  21           HG3      ARG  21   5.016   5.804   7.593
  158    HD2  ARG  21           HD2      ARG  21   2.363   4.596   8.419
  159    HD3  ARG  21           HD3      ARG  21   3.625   5.086   9.546
  160    HE   ARG  21           HE       ARG  21   2.737   7.149   7.691
  161   HH11  ARG  21          HH21      ARG  21   2.448   5.635  10.790
  162   HH12  ARG  21          HH22      ARG  21   1.720   7.011  11.547
  163   HH21  ARG  21          HH11      ARG  21   1.781   8.957   8.677
  164   HH22  ARG  21          HH12      ARG  21   1.340   8.892  10.352
  165    H    VAL  22           H        VAL  22   4.831   6.205   3.133
  166    HA   VAL  22           HA       VAL  22   7.674   6.368   3.942
  167    HB   VAL  22           HB       VAL  22   6.694   4.874   1.520
  168   HG11  VAL  22          HG11      VAL  22   9.175   5.589   2.161
  169   HG12  VAL  22          HG12      VAL  22   8.841   4.008   1.454
  170   HG13  VAL  22          HG13      VAL  22   9.069   4.165   3.196
  171   HG21  VAL  22          HG21      VAL  22   5.732   3.339   2.867
  172   HG22  VAL  22          HG22      VAL  22   6.263   4.203   4.310
  173   HG23  VAL  22          HG23      VAL  22   7.328   3.021   3.548
  174    H    ARG  23           H        ARG  23   5.223   7.893   2.297
  175    HA   ARG  23           HA       ARG  23   5.174   9.263   0.384
  176    HB2  ARG  23           HB2      ARG  23   7.487  10.507   1.871
  177    HB3  ARG  23           HB3      ARG  23   6.243  11.318   0.918
  178    HG2  ARG  23           HG2      ARG  23   4.533  10.676   2.541
  179    HG3  ARG  23           HG3      ARG  23   5.725   9.765   3.471
  180    HD2  ARG  23           HD2      ARG  23   5.279  12.030   4.425
  181    HD3  ARG  23           HD3      ARG  23   6.964  11.796   3.967
  182    HE   ARG  23           HE       ARG  23   6.696  13.467   2.383
  183   HH11  ARG  23          HH21      ARG  23   3.629  12.229   3.396
  184   HH12  ARG  23          HH22      ARG  23   2.708  13.402   2.516
  185   HH21  ARG  23          HH11      ARG  23   5.497  15.010   1.226
  186   HH22  ARG  23          HH12      ARG  23   3.766  14.977   1.286
  187    H    THR  24           H        THR  24   6.333   7.157  -0.662
  188    HA   THR  24           HA       THR  24   8.882   8.082  -1.842
  189    HB   THR  24           HB       THR  24   7.908   5.268  -2.123
  190    HG1  THR  24           HG1      THR  24   8.526   4.771  -0.114
  191   HG21  THR  24          HG21      THR  24  10.609   6.603  -1.800
  192   HG22  THR  24          HG22      THR  24   9.934   5.942  -3.290
  193   HG23  THR  24          HG23      THR  24  10.369   4.864  -1.964
  194    H    ASP  25           H        ASP  25   5.591   7.677  -2.458
  195    HA   ASP  25           HA       ASP  25   4.344   7.960  -4.371
  196    HB2  ASP  25           HB2      ASP  25   6.196   9.665  -4.856
  197    HB3  ASP  25           HB3      ASP  25   6.921   8.419  -5.870
  198    H    ASP  26           H        ASP  26   7.112   5.878  -4.324
  199    HA   ASP  26           HA       ASP  26   6.202   4.292  -6.595
  200    HB2  ASP  26           HB2      ASP  26   8.526   3.957  -4.686
  201    HB3  ASP  26           HB3      ASP  26   8.192   2.886  -6.045
  202    H    TYR  27           H        TYR  27   6.276   4.167  -3.082
  203    HA   TYR  27           HA       TYR  27   5.652   1.493  -2.643
  204    HB2  TYR  27           HB2      TYR  27   5.397   4.003  -1.145
  205    HB3  TYR  27           HB3      TYR  27   4.196   2.789  -0.705
  206    HD1  TYR  27           HD1      TYR  27   7.865   3.247  -1.262
  207    HD2  TYR  27           HD2      TYR  27   4.781   0.979   0.684
  208    HE1  TYR  27           HE1      TYR  27   9.587   2.005   0.018
  209    HE2  TYR  27           HE2      TYR  27   6.504  -0.264   1.966
  210    HH   TYR  27           HH       TYR  27   8.793  -0.018   2.682
  211    H    PHE  28           H        PHE  28   3.450   4.233  -3.211
  212    HA   PHE  28           HA       PHE  28   1.021   2.930  -2.967
  213    HB2  PHE  28           HB2      PHE  28   1.505   5.416  -3.422
  214    HB3  PHE  28           HB3      PHE  28   1.546   4.962  -5.127
  215    HD1  PHE  28           HD2      PHE  28  -0.557   4.560  -2.059
  216    HD2  PHE  28           HD1      PHE  28  -0.450   4.861  -6.340
  217    HE1  PHE  28           HE2      PHE  28  -3.029   4.563  -2.119
  218    HE2  PHE  28           HE1      PHE  28  -2.926   4.864  -6.401
  219    HZ   PHE  28           HZ       PHE  28  -4.221   4.716  -4.291
  220    H    TYR  29           H        TYR  29   2.704   3.558  -6.054
  221    HA   TYR  29           HA       TYR  29   1.137   1.967  -7.689
  222    HB2  TYR  29           HB2      TYR  29   3.808   3.145  -7.815
  223    HB3  TYR  29           HB3      TYR  29   3.693   1.632  -8.715
  224    HD1  TYR  29           HD2      TYR  29   2.107   1.387 -10.581
  225    HD2  TYR  29           HD1      TYR  29   2.515   5.099  -8.459
  226    HE1  TYR  29           HE2      TYR  29   0.889   2.558 -12.397
  227    HE2  TYR  29           HE1      TYR  29   1.297   6.271 -10.274
  228    HH   TYR  29           HH       TYR  29   0.213   6.056 -12.193
  229    H    GLU  30           H        GLU  30   3.269   1.021  -5.193
  230    HA   GLU  30           HA       GLU  30   3.863  -1.615  -6.180
  231    HB2  GLU  30           HB2      GLU  30   5.029  -0.098  -4.307
  232    HB3  GLU  30           HB3      GLU  30   3.955  -1.032  -3.265
  233    HG2  GLU  30           HG2      GLU  30   4.874  -3.112  -4.047
  234    HG3  GLU  30           HG3      GLU  30   5.773  -2.299  -5.326
  235    H    CYS  31           H        CYS  31   1.260  -0.123  -4.436
  236    HA   CYS  31           HA       CYS  31   0.203  -2.579  -3.348
  237    HB2  CYS  31           HB2      CYS  31  -0.173   0.050  -2.745
  238    HB3  CYS  31           HB3      CYS  31  -1.623  -0.285  -3.690
  239    H    CYS  32           H        CYS  32  -0.529  -0.467  -6.102
  240    HA   CYS  32           HA       CYS  32  -2.782  -1.935  -7.022
  241    HB2  CYS  32           HB2      CYS  32  -1.385   0.411  -7.775
  242    HB3  CYS  32           HB3      CYS  32  -1.409  -0.643  -9.190
  243    H    THR  33           H        THR  33   0.387  -2.850  -6.815
  244    HA   THR  33           HA       THR  33   0.727  -4.196  -9.325
  245    HB   THR  33           HB       THR  33   2.177  -5.036  -6.845
  246    HG1  THR  33           HG1      THR  33   3.479  -3.026  -7.854
  247   HG21  THR  33          HG21      THR  33   3.581  -4.308  -9.335
  248   HG22  THR  33          HG22      THR  33   2.436  -5.638  -9.501
  249   HG23  THR  33          HG23      THR  33   3.747  -5.745  -8.327
  250    H    SER  34           H        SER  34   1.725  -6.686  -8.181
  251    HA   SER  34           HA       SER  34  -0.634  -8.254  -8.405
  252    HB2  SER  34           HB2      SER  34   1.487  -9.194  -9.072
  253    HB3  SER  34           HB3      SER  34   2.158  -8.943  -7.463
  254    HG   SER  34           HG       SER  34  -0.208 -10.400  -7.667
  255    H    GLU  35           H        GLU  35  -1.191  -9.937  -6.695
  256    HA   GLU  35           HA       GLU  35  -2.101  -8.625  -4.365
  257    HB2  GLU  35           HB2      GLU  35  -3.147 -10.651  -5.408
  258    HB3  GLU  35           HB3      GLU  35  -1.806 -11.607  -4.777
  259    HG2  GLU  35           HG2      GLU  35  -2.510 -10.322  -2.518
  260    HG3  GLU  35           HG3      GLU  35  -4.076 -10.339  -3.328
  261    H    SER  36           H        SER  36   0.690 -10.697  -4.993
  262    HA   SER  36           HA       SER  36   1.550 -11.270  -2.437
  263    HB2  SER  36           HB2      SER  36   3.915 -10.995  -3.531
  264    HB3  SER  36           HB3      SER  36   2.827 -12.259  -4.100
  265    HG   SER  36           HG       SER  36   2.628  -9.724  -5.254
  266    H    THR  37           H        THR  37   2.546  -8.424  -4.361
  267    HA   THR  37           HA       THR  37   3.990  -7.165  -2.301
  268    HB   THR  37           HB       THR  37   3.029  -5.099  -3.881
  269    HG1  THR  37           HG1      THR  37   3.554  -7.193  -5.650
  270   HG21  THR  37          HG21      THR  37   5.400  -6.953  -4.172
  271   HG22  THR  37          HG22      THR  37   5.355  -5.376  -3.382
  272   HG23  THR  37          HG23      THR  37   5.205  -5.491  -5.136
  273    H    PHE  38           H        PHE  38   0.574  -7.205  -3.054
  274    HA   PHE  38           HA       PHE  38  -0.326  -4.954  -1.699
  275    HB2  PHE  38           HB2      PHE  38  -1.540  -6.978  -3.021
  276    HB3  PHE  38           HB3      PHE  38  -1.952  -7.402  -1.360
  277    HD1  PHE  38           HD1      PHE  38  -2.677  -5.292   0.141
  278    HD2  PHE  38           HD2      PHE  38  -2.967  -5.518  -4.140
  279    HE1  PHE  38           HE1      PHE  38  -4.417  -3.524   0.165
  280    HE2  PHE  38           HE2      PHE  38  -4.705  -3.750  -4.115
  281    HZ   PHE  38           HZ       PHE  38  -5.432  -2.753  -1.963
  282    H    LYS  39           H        LYS  39   0.474  -8.161  -0.411
  283    HA   LYS  39           HA       LYS  39  -0.387  -7.552   2.258
  284    HB2  LYS  39           HB2      LYS  39   1.597  -9.699   1.536
  285    HB3  LYS  39           HB3      LYS  39   0.408  -9.690   2.839
  286    HG2  LYS  39           HG2      LYS  39  -1.416  -9.909   1.283
  287    HG3  LYS  39           HG3      LYS  39  -0.344  -9.654  -0.094
  288    HD2  LYS  39           HD2      LYS  39  -0.800 -12.038   0.120
  289    HD3  LYS  39           HD3      LYS  39   0.888 -11.736   0.535
  290    HE2  LYS  39           HE2      LYS  39  -1.134 -11.649   2.737
  291    HE3  LYS  39           HE3      LYS  39  -0.667 -13.227   2.103
  292    HZ1  LYS  39           HZ1      LYS  39   0.687 -12.216   4.016
  293    HZ2  LYS  39           HZ2      LYS  39   1.382 -11.232   2.819
  294    HZ3  LYS  39           HZ3      LYS  39   1.523 -12.922   2.721
  295    H    LYS  40           H        LYS  40   2.741  -7.582   0.587
  296    HA   LYS  40           HA       LYS  40   4.503  -7.239   2.657
  297    HB2  LYS  40           HB2      LYS  40   4.423  -6.277  -0.159
  298    HB3  LYS  40           HB3      LYS  40   5.631  -5.563   0.912
  299    HG2  LYS  40           HG2      LYS  40   5.293  -8.540   0.917
  300    HG3  LYS  40           HG3      LYS  40   6.167  -7.791  -0.421
  301    HD2  LYS  40           HD2      LYS  40   7.767  -6.798   1.070
  302    HD3  LYS  40           HD3      LYS  40   6.807  -7.232   2.485
  303    HE2  LYS  40           HE2      LYS  40   8.354  -8.954   2.511
  304    HE3  LYS  40           HE3      LYS  40   7.101  -9.685   1.508
  305    HZ1  LYS  40           HZ1      LYS  40   8.774  -8.123  -0.116
  306    HZ2  LYS  40           HZ2      LYS  40   8.530  -9.803  -0.157
  307    HZ3  LYS  40           HZ3      LYS  40   9.750  -9.143   0.824
  308    H    CYS  41           H        CYS  41   2.505  -4.723   1.129
  309    HA   CYS  41           HA       CYS  41   3.554  -2.563   2.646
  310    HB2  CYS  41           HB2      CYS  41   1.666  -2.899   0.575
  311    HB3  CYS  41           HB3      CYS  41   0.814  -2.106   1.900
  312    H    GLN  42           H        GLN  42   0.469  -4.343   2.971
  313    HA   GLN  42           HA       GLN  42  -0.401  -3.109   5.324
  314    HB2  GLN  42           HB2      GLN  42  -1.670  -4.722   3.778
  315    HB3  GLN  42           HB3      GLN  42  -0.908  -6.015   4.703
  316    HG2  GLN  42           HG2      GLN  42  -2.538  -5.786   6.237
  317    HG3  GLN  42           HG3      GLN  42  -1.876  -4.198   6.620
  318   HE21  GLN  42          HE21      GLN  42  -2.520  -2.843   4.175
  319   HE22  GLN  42          HE22      GLN  42  -4.209  -2.730   4.062
  320    H    THR  43           H        THR  43   2.073  -5.470   4.813
  321    HA   THR  43           HA       THR  43   2.143  -6.487   7.498
  322    HB   THR  43           HB       THR  43   4.503  -6.535   5.644
  323    HG1  THR  43           HG1      THR  43   2.006  -7.365   5.080
  324   HG21  THR  43          HG21      THR  43   4.821  -8.729   6.645
  325   HG22  THR  43          HG22      THR  43   3.265  -8.616   7.466
  326   HG23  THR  43          HG23      THR  43   4.587  -7.545   7.931
  327    H    MET  44           H        MET  44   3.957  -4.039   5.681
  328    HA   MET  44           HA       MET  44   5.758  -3.389   7.786
  329    HB2  MET  44           HB2      MET  44   4.876  -1.946   5.288
  330    HB3  MET  44           HB3      MET  44   6.025  -1.237   6.421
  331    HG2  MET  44           HG2      MET  44   6.919  -3.876   6.003
  332    HG3  MET  44           HG3      MET  44   6.476  -3.267   4.409
  333    HE1  MET  44           HE1      MET  44   9.298  -3.208   7.161
  334    HE2  MET  44           HE2      MET  44   7.893  -2.302   7.718
  335    HE3  MET  44           HE3      MET  44   9.410  -1.461   7.407
  336    H    LEU  45           H        LEU  45   2.557  -2.270   6.875
  337    HA   LEU  45           HA       LEU  45   2.451   0.051   8.475
  338    HB2  LEU  45           HB2      LEU  45   0.423  -1.776   7.250
  339    HB3  LEU  45           HB3      LEU  45  -0.110  -0.592   8.443
  340    HG   LEU  45           HG       LEU  45   1.667   0.228   6.153
  341   HD11  LEU  45          HD11      LEU  45  -1.276  -0.352   6.144
  342   HD12  LEU  45          HD12      LEU  45  -0.080  -0.621   4.875
  343   HD13  LEU  45          HD13      LEU  45  -0.672   1.009   5.199
  344   HD21  LEU  45          HD21      LEU  45   1.162   2.362   6.826
  345   HD22  LEU  45          HD22      LEU  45   0.847   1.564   8.367
  346   HD23  LEU  45          HD23      LEU  45  -0.489   1.937   7.276
  347    H    HIS  46           H        HIS  46   1.124  -3.201   9.135
  348    HA   HIS  46           HA       HIS  46   0.453  -2.657  11.831
  349    HB2  HIS  46           HB2      HIS  46   0.754  -5.125  10.169
  350    HB3  HIS  46           HB3      HIS  46   0.641  -5.290  11.921
  351    HD1  HIS  46           HD1      HIS  46  -1.357  -4.445   8.902
  352    HD2  HIS  46           HD2      HIS  46  -1.853  -4.325  13.039
  353    HE1  HIS  46           HE1      HIS  46  -3.831  -4.099   9.316
  354    H    GLN  47           H        GLN  47   3.404  -3.679  10.268
  355    HA   GLN  47           HA       GLN  47   4.685  -4.192  12.864
  356    HB2  GLN  47           HB2      GLN  47   4.896  -5.567  10.544
  357    HB3  GLN  47           HB3      GLN  47   6.247  -4.447  10.363
  358    HG2  GLN  47           HG2      GLN  47   6.740  -5.140  12.869
  359    HG3  GLN  47           HG3      GLN  47   5.813  -6.573  12.429
  360   HE21  GLN  47          HE21      GLN  47   8.192  -4.591  10.566
  361   HE22  GLN  47          HE22      GLN  47   9.190  -5.907  10.175
  Start of MODEL    7
    1    H1   ALA   1           H1       ALA   1  -9.366   4.934 -12.591
    2    H2   ALA   1           H2       ALA   1  -9.940   3.773 -11.491
    3    H3   ALA   1           H3       ALA   1 -11.034   4.681 -12.420
    4    HA   ALA   1           HA       ALA   1 -10.692   3.484 -14.303
    5    HB1  ALA   1           HB1      ALA   1  -8.072   2.374 -13.337
    6    HB2  ALA   1           HB2      ALA   1  -8.140   4.010 -13.991
    7    HB3  ALA   1           HB3      ALA   1  -8.623   2.640 -14.990
    8    H    ASP   2           H        ASP   2 -10.855   2.688 -11.129
    9    HA   ASP   2           HA       ASP   2 -11.252   0.726  -9.931
   10    HB2  ASP   2           HB2      ASP   2 -13.054   0.164 -12.290
   11    HB3  ASP   2           HB3      ASP   2 -13.319  -0.247 -10.596
   12    H    ASP   3           H        ASP   3  -8.911   0.214 -10.978
   13    HA   ASP   3           HA       ASP   3  -9.027  -2.167 -12.670
   14    HB2  ASP   3           HB2      ASP   3  -7.301  -0.316 -12.949
   15    HB3  ASP   3           HB3      ASP   3  -6.570  -0.901 -11.455
   16    H    LYS   4           H        LYS   4  -7.964  -1.219  -9.412
   17    HA   LYS   4           HA       LYS   4  -8.615  -3.819  -8.365
   18    HB2  LYS   4           HB2      LYS   4  -5.901  -3.290  -9.250
   19    HB3  LYS   4           HB3      LYS   4  -5.957  -3.641  -7.522
   20    HG2  LYS   4           HG2      LYS   4  -7.449  -5.352  -9.510
   21    HG3  LYS   4           HG3      LYS   4  -5.750  -5.648  -9.141
   22    HD2  LYS   4           HD2      LYS   4  -7.251  -5.253  -6.697
   23    HD3  LYS   4           HD3      LYS   4  -7.981  -6.535  -7.663
   24    HE2  LYS   4           HE2      LYS   4  -6.345  -7.640  -6.349
   25    HE3  LYS   4           HE3      LYS   4  -5.587  -7.456  -7.931
   26    HZ1  LYS   4           HZ1      LYS   4  -3.944  -6.624  -6.633
   27    HZ2  LYS   4           HZ2      LYS   4  -5.003  -6.094  -5.414
   28    HZ3  LYS   4           HZ3      LYS   4  -4.830  -5.192  -6.843
   29    H    CYS   5           H        CYS   5  -7.395  -0.586  -8.014
   30    HA   CYS   5           HA       CYS   5  -7.874  -0.736  -5.104
   31    HB2  CYS   5           HB2      CYS   5  -6.095   1.121  -6.697
   32    HB3  CYS   5           HB3      CYS   5  -6.438   1.317  -4.979
   33    H    GLU   6           H        GLU   6  -8.444   1.140  -8.039
   34    HA   GLU   6           HA       GLU   6 -10.024   3.150  -6.731
   35    HB2  GLU   6           HB2      GLU   6  -9.444   2.411  -9.579
   36    HB3  GLU   6           HB3      GLU   6 -10.747   3.541  -9.213
   37    HG2  GLU   6           HG2      GLU   6  -8.585   4.703  -9.620
   38    HG3  GLU   6           HG3      GLU   6  -9.200   4.984  -7.991
   39    H    ASP   7           H        ASP   7 -10.610  -0.058  -7.691
   40    HA   ASP   7           HA       ASP   7 -13.341   0.101  -8.431
   41    HB2  ASP   7           HB2      ASP   7 -11.961  -1.879  -8.885
   42    HB3  ASP   7           HB3      ASP   7 -11.821  -2.185  -7.155
   43    H    SER   8           H        SER   8 -11.723  -0.405  -5.316
   44    HA   SER   8           HA       SER   8 -14.321   0.092  -3.990
   45    HB2  SER   8           HB2      SER   8 -12.379  -1.345  -2.362
   46    HB3  SER   8           HB3      SER   8 -14.067  -1.724  -2.693
   47    HG   SER   8           HG       SER   8 -11.739  -2.493  -4.036
   48    H    LEU   9           H        LEU   9 -14.198   2.157  -3.331
   49    HA   LEU   9           HA       LEU   9 -12.052   3.756  -2.827
   50    HB2  LEU   9           HB2      LEU   9 -14.618   3.663  -1.224
   51    HB3  LEU   9           HB3      LEU   9 -13.485   5.015  -1.260
   52    HG   LEU   9           HG       LEU   9 -14.867   3.887  -3.710
   53   HD11  LEU   9          HD11      LEU   9 -16.538   5.450  -3.478
   54   HD12  LEU   9          HD12      LEU   9 -15.495   6.595  -2.635
   55   HD13  LEU   9          HD13      LEU   9 -16.172   5.216  -1.768
   56   HD21  LEU   9          HD21      LEU   9 -14.100   6.285  -4.487
   57   HD22  LEU   9          HD22      LEU   9 -12.938   4.959  -4.480
   58   HD23  LEU   9          HD23      LEU   9 -12.944   6.133  -3.164
   59    H    ARG  10           H        ARG  10 -13.068   1.033  -0.985
   60    HA   ARG  10           HA       ARG  10 -11.718   1.763   1.456
   61    HB2  ARG  10           HB2      ARG  10 -13.671   0.232   1.420
   62    HB3  ARG  10           HB3      ARG  10 -12.704  -0.946   0.531
   63    HG2  ARG  10           HG2      ARG  10 -11.271  -1.334   2.355
   64    HG3  ARG  10           HG3      ARG  10 -11.725   0.174   3.150
   65    HD2  ARG  10           HD2      ARG  10 -13.857  -1.863   2.659
   66    HD3  ARG  10           HD3      ARG  10 -12.715  -2.154   3.967
   67    HE   ARG  10           HE       ARG  10 -14.865  -0.323   4.042
   68   HH11  ARG  10          HH21      ARG  10 -11.505  -0.604   4.819
   69   HH12  ARG  10          HH22      ARG  10 -11.568   0.538   6.118
   70   HH21  ARG  10          HH11      ARG  10 -14.956   1.176   5.745
   71   HH22  ARG  10          HH12      ARG  10 -13.522   1.545   6.644
   72    H    ARG  11           H        ARG  11 -11.111  -0.640  -1.111
   73    HA   ARG  11           HA       ARG  11  -8.595  -1.478  -0.141
   74    HB2  ARG  11           HB2      ARG  11  -9.866  -1.561  -2.879
   75    HB3  ARG  11           HB3      ARG  11  -8.271  -2.241  -2.555
   76    HG2  ARG  11           HG2      ARG  11 -10.279  -3.040  -0.573
   77    HG3  ARG  11           HG3      ARG  11 -10.675  -3.571  -2.208
   78    HD2  ARG  11           HD2      ARG  11  -8.001  -4.015  -0.854
   79    HD3  ARG  11           HD3      ARG  11  -9.275  -5.226  -0.975
   80    HE   ARG  11           HE       ARG  11  -7.575  -4.264  -3.153
   81   HH11  ARG  11          HH21      ARG  11 -10.331  -6.065  -2.085
   82   HH12  ARG  11          HH22      ARG  11 -10.436  -7.022  -3.526
   83   HH21  ARG  11          HH11      ARG  11  -7.709  -5.511  -5.046
   84   HH22  ARG  11          HH12      ARG  11  -8.951  -6.708  -5.202
   85    H    GLU  12           H        GLU  12  -9.360   1.539  -0.899
   86    HA   GLU  12           HA       GLU  12  -6.906   2.161  -2.401
   87    HB2  GLU  12           HB2      GLU  12  -9.057   3.115  -3.202
   88    HB3  GLU  12           HB3      GLU  12  -9.221   3.969  -1.668
   89    HG2  GLU  12           HG2      GLU  12  -7.357   5.347  -2.093
   90    HG3  GLU  12           HG3      GLU  12  -6.734   4.270  -3.342
   91    H    ILE  13           H        ILE  13  -8.682   3.266   0.494
   92    HA   ILE  13           HA       ILE  13  -6.796   5.024   1.515
   93    HB   ILE  13           HB       ILE  13  -8.412   3.172   3.261
   94   HG12  ILE  13          HG12      ILE  13  -9.289   5.414   1.454
   95   HG13  ILE  13          HG13      ILE  13 -10.068   3.858   1.749
   96   HG21  ILE  13          HG21      ILE  13  -7.969   6.126   3.615
   97   HG22  ILE  13          HG22      ILE  13  -6.704   4.987   4.078
   98   HG23  ILE  13          HG23      ILE  13  -8.293   4.897   4.838
   99   HD11  ILE  13          HD11      ILE  13  -9.931   6.224   3.636
  100   HD12  ILE  13          HD12      ILE  13 -10.499   4.626   4.120
  101   HD13  ILE  13          HD13      ILE  13 -11.372   5.537   2.888
  102    H    ALA  14           H        ALA  14  -6.998   1.503   1.922
  103    HA   ALA  14           HA       ALA  14  -4.869   1.243   3.762
  104    HB1  ALA  14           HB1      ALA  14  -5.202  -0.973   1.855
  105    HB2  ALA  14           HB2      ALA  14  -6.695  -0.471   2.649
  106    HB3  ALA  14           HB3      ALA  14  -5.307  -0.973   3.616
  107    H    CYS  15           H        CYS  15  -4.947   1.796   0.351
  108    HA   CYS  15           HA       CYS  15  -2.217   0.929  -0.109
  109    HB2  CYS  15           HB2      CYS  15  -3.722   0.644  -1.945
  110    HB3  CYS  15           HB3      CYS  15  -4.274   2.316  -1.834
  111    H    THR  16           H        THR  16  -3.935   3.865   0.641
  112    HA   THR  16           HA       THR  16  -1.868   5.688  -0.132
  113    HB   THR  16           HB       THR  16  -3.880   6.321   2.000
  114    HG1  THR  16           HG1      THR  16  -4.575   5.109  -0.143
  115   HG21  THR  16          HG21      THR  16  -2.122   7.934   1.044
  116   HG22  THR  16          HG22      THR  16  -3.795   8.494   1.049
  117   HG23  THR  16          HG23      THR  16  -3.069   7.899  -0.443
  118    H    LYS  17           H        LYS  17  -2.959   4.439   3.025
  119    HA   LYS  17           HA       LYS  17  -1.164   5.679   4.699
  120    HB2  LYS  17           HB2      LYS  17  -2.441   2.961   4.763
  121    HB3  LYS  17           HB3      LYS  17  -1.290   3.433   6.014
  122    HG2  LYS  17           HG2      LYS  17  -2.629   5.321   6.653
  123    HG3  LYS  17           HG3      LYS  17  -3.678   5.128   5.248
  124    HD2  LYS  17           HD2      LYS  17  -4.742   3.248   6.130
  125    HD3  LYS  17           HD3      LYS  17  -3.393   2.863   7.199
  126    HE2  LYS  17           HE2      LYS  17  -3.948   4.604   8.711
  127    HE3  LYS  17           HE3      LYS  17  -5.010   5.389   7.543
  128    HZ1  LYS  17           HZ1      LYS  17  -6.650   3.830   7.847
  129    HZ2  LYS  17           HZ2      LYS  17  -6.015   3.944   9.418
  130    HZ3  LYS  17           HZ3      LYS  17  -5.583   2.640   8.418
  131    H    CYS  18           H        CYS  18  -0.536   3.255   2.318
  132    HA   CYS  18           HA       CYS  18   1.964   2.342   3.396
  133    HB2  CYS  18           HB2      CYS  18   0.425   1.957   0.884
  134    HB3  CYS  18           HB3      CYS  18   2.166   1.691   0.801
  135    H    ARG  19           H        ARG  19   1.144   4.399   0.599
  136    HA   ARG  19           HA       ARG  19   3.853   5.248   0.208
  137    HB2  ARG  19           HB2      ARG  19   2.451   5.243  -1.710
  138    HB3  ARG  19           HB3      ARG  19   1.200   6.171  -0.891
  139    HG2  ARG  19           HG2      ARG  19   3.791   7.537  -0.890
  140    HG3  ARG  19           HG3      ARG  19   3.183   7.228  -2.516
  141    HD2  ARG  19           HD2      ARG  19   1.319   8.322  -0.436
  142    HD3  ARG  19           HD3      ARG  19   2.445   9.409  -1.241
  143    HE   ARG  19           HE       ARG  19   0.241   7.937  -2.519
  144   HH11  ARG  19          HH21      ARG  19   2.915  10.132  -2.685
  145   HH12  ARG  19          HH22      ARG  19   2.467  10.774  -4.229
  146   HH21  ARG  19          HH11      ARG  19  -0.348   8.775  -4.544
  147   HH22  ARG  19          HH12      ARG  19   0.623  10.006  -5.282
  148    H    ASP  20           H        ASP  20   1.008   6.590   1.807
  149    HA   ASP  20           HA       ASP  20   1.951   9.191   2.264
  150    HB2  ASP  20           HB2      ASP  20  -0.388   8.111   2.721
  151    HB3  ASP  20           HB3      ASP  20   0.288   7.764   4.312
  152    H    ARG  21           H        ARG  21   2.913   6.188   3.641
  153    HA   ARG  21           HA       ARG  21   4.055   7.363   6.039
  154    HB2  ARG  21           HB2      ARG  21   3.131   4.917   5.641
  155    HB3  ARG  21           HB3      ARG  21   4.779   4.626   5.080
  156    HG2  ARG  21           HG2      ARG  21   5.712   5.306   7.178
  157    HG3  ARG  21           HG3      ARG  21   4.169   5.959   7.728
  158    HD2  ARG  21           HD2      ARG  21   3.421   3.414   7.214
  159    HD3  ARG  21           HD3      ARG  21   5.110   3.142   7.634
  160    HE   ARG  21           HE       ARG  21   3.021   4.179   9.414
  161   HH11  ARG  21          HH21      ARG  21   6.334   3.389   8.801
  162   HH12  ARG  21          HH22      ARG  21   6.779   3.357  10.475
  163   HH21  ARG  21          HH11      ARG  21   3.597   4.141  11.609
  164   HH22  ARG  21          HH12      ARG  21   5.230   3.785  12.064
  165    H    VAL  22           H        VAL  22   5.291   5.822   3.071
  166    HA   VAL  22           HA       VAL  22   8.003   6.689   3.678
  167    HB   VAL  22           HB       VAL  22   7.157   5.455   1.075
  168   HG11  VAL  22          HG11      VAL  22   9.611   5.437   2.841
  169   HG12  VAL  22          HG12      VAL  22   9.466   6.035   1.189
  170   HG13  VAL  22          HG13      VAL  22   9.406   4.302   1.506
  171   HG21  VAL  22          HG21      VAL  22   6.874   4.310   3.766
  172   HG22  VAL  22          HG22      VAL  22   7.876   3.330   2.696
  173   HG23  VAL  22          HG23      VAL  22   6.225   3.737   2.229
  174    H    ARG  23           H        ARG  23   5.289   8.039   2.285
  175    HA   ARG  23           HA       ARG  23   4.906   9.833   0.894
  176    HB2  ARG  23           HB2      ARG  23   7.660  10.746   1.728
  177    HB3  ARG  23           HB3      ARG  23   6.267  11.739   1.306
  178    HG2  ARG  23           HG2      ARG  23   5.449  11.645   3.409
  179    HG3  ARG  23           HG3      ARG  23   5.670   9.897   3.493
  180    HD2  ARG  23           HD2      ARG  23   7.960  10.126   4.146
  181    HD3  ARG  23           HD3      ARG  23   7.967  11.844   3.756
  182    HE   ARG  23           HE       ARG  23   6.774  10.606   6.133
  183   HH11  ARG  23          HH21      ARG  23   7.340  13.387   4.153
  184   HH12  ARG  23          HH22      ARG  23   6.970  14.526   5.406
  185   HH21  ARG  23          HH11      ARG  23   6.291  12.094   7.782
  186   HH22  ARG  23          HH12      ARG  23   6.377  13.793   7.460
  187    H    THR  24           H        THR  24   5.830   7.625  -0.519
  188    HA   THR  24           HA       THR  24   7.395   8.957  -2.636
  189    HB   THR  24           HB       THR  24   7.812   6.041  -2.151
  190    HG1  THR  24           HG1      THR  24   8.077   7.419  -0.161
  191   HG21  THR  24          HG21      THR  24   9.888   8.090  -2.848
  192   HG22  THR  24          HG22      THR  24   8.715   7.605  -4.072
  193   HG23  THR  24          HG23      THR  24   9.778   6.401  -3.343
  194    H    ASP  25           H        ASP  25   6.085   9.097  -4.332
  195    HA   ASP  25           HA       ASP  25   3.716   7.735  -4.772
  196    HB2  ASP  25           HB2      ASP  25   3.842   8.498  -7.056
  197    HB3  ASP  25           HB3      ASP  25   4.517   9.756  -6.023
  198    H    ASP  26           H        ASP  26   6.859   6.504  -4.871
  199    HA   ASP  26           HA       ASP  26   6.401   4.451  -6.852
  200    HB2  ASP  26           HB2      ASP  26   8.624   5.240  -5.036
  201    HB3  ASP  26           HB3      ASP  26   8.583   3.567  -5.593
  202    H    TYR  27           H        TYR  27   5.878   4.842  -3.457
  203    HA   TYR  27           HA       TYR  27   5.806   2.033  -2.827
  204    HB2  TYR  27           HB2      TYR  27   5.537   4.557  -1.397
  205    HB3  TYR  27           HB3      TYR  27   4.350   3.365  -0.866
  206    HD1  TYR  27           HD2      TYR  27   7.999   3.673  -1.680
  207    HD2  TYR  27           HD1      TYR  27   4.983   1.726   0.679
  208    HE1  TYR  27           HE2      TYR  27   9.763   2.477  -0.410
  209    HE2  TYR  27           HE1      TYR  27   6.747   0.530   1.947
  210    HH   TYR  27           HH       TYR  27  10.134   1.315   1.571
  211    H    PHE  28           H        PHE  28   3.343   4.566  -3.274
  212    HA   PHE  28           HA       PHE  28   1.033   3.183  -2.820
  213    HB2  PHE  28           HB2      PHE  28   1.435   5.615  -3.679
  214    HB3  PHE  28           HB3      PHE  28   1.247   4.892  -5.276
  215    HD1  PHE  28           HD1      PHE  28  -0.843   3.492  -5.734
  216    HD2  PHE  28           HD2      PHE  28  -0.450   6.085  -2.336
  217    HE1  PHE  28           HE1      PHE  28  -3.305   3.487  -5.445
  218    HE2  PHE  28           HE2      PHE  28  -2.908   6.079  -2.044
  219    HZ   PHE  28           HZ       PHE  28  -4.340   4.781  -3.599
  220    H    TYR  29           H        TYR  29   2.761   3.312  -5.938
  221    HA   TYR  29           HA       TYR  29   1.115   1.584  -7.378
  222    HB2  TYR  29           HB2      TYR  29   3.947   2.470  -7.591
  223    HB3  TYR  29           HB3      TYR  29   3.473   1.053  -8.526
  224    HD1  TYR  29           HD2      TYR  29   2.001   4.400  -7.638
  225    HD2  TYR  29           HD1      TYR  29   2.754   1.473 -10.691
  226    HE1  TYR  29           HE2      TYR  29   0.908   5.865  -9.314
  227    HE2  TYR  29           HE1      TYR  29   1.661   2.939 -12.367
  228    HH   TYR  29           HH       TYR  29   0.137   4.752 -12.504
  229    H    GLU  30           H        GLU  30   3.719   0.868  -5.117
  230    HA   GLU  30           HA       GLU  30   3.941  -1.904  -5.718
  231    HB2  GLU  30           HB2      GLU  30   5.211  -0.062  -4.003
  232    HB3  GLU  30           HB3      GLU  30   4.556  -1.323  -2.960
  233    HG2  GLU  30           HG2      GLU  30   6.669  -2.165  -3.570
  234    HG3  GLU  30           HG3      GLU  30   5.568  -2.981  -4.679
  235    H    CYS  31           H        CYS  31   1.478  -0.130  -4.294
  236    HA   CYS  31           HA       CYS  31   0.574  -2.205  -2.467
  237    HB2  CYS  31           HB2      CYS  31  -1.004  -0.675  -1.723
  238    HB3  CYS  31           HB3      CYS  31   0.304   0.388  -2.239
  239    H    CYS  32           H        CYS  32  -0.691  -0.672  -5.440
  240    HA   CYS  32           HA       CYS  32  -2.798  -2.622  -5.688
  241    HB2  CYS  32           HB2      CYS  32  -2.354  -0.076  -6.687
  242    HB3  CYS  32           HB3      CYS  32  -2.178  -1.112  -8.105
  243    H    THR  33           H        THR  33   0.462  -2.794  -6.249
  244    HA   THR  33           HA       THR  33   0.658  -4.090  -8.745
  245    HB   THR  33           HB       THR  33   2.667  -5.236  -7.328
  246    HG1  THR  33           HG1      THR  33   2.418  -2.738  -6.095
  247   HG21  THR  33          HG21      THR  33   2.333  -2.595  -8.690
  248   HG22  THR  33          HG22      THR  33   3.346  -3.967  -9.137
  249   HG23  THR  33          HG23      THR  33   3.839  -2.899  -7.823
  250    H    SER  34           H        SER  34   1.798  -6.533  -8.389
  251    HA   SER  34           HA       SER  34  -0.277  -8.326  -8.352
  252    HB2  SER  34           HB2      SER  34   1.316  -9.950  -8.509
  253    HB3  SER  34           HB3      SER  34   2.384  -8.569  -8.739
  254    HG   SER  34           HG       SER  34   3.110  -8.781  -6.729
  255    H    GLU  35           H        GLU  35  -0.688 -10.097  -6.735
  256    HA   GLU  35           HA       GLU  35  -1.637  -9.014  -4.315
  257    HB2  GLU  35           HB2      GLU  35  -1.218 -11.818  -5.319
  258    HB3  GLU  35           HB3      GLU  35  -1.762 -11.524  -3.668
  259    HG2  GLU  35           HG2      GLU  35  -3.671 -11.839  -5.220
  260    HG3  GLU  35           HG3      GLU  35  -3.670 -10.232  -4.497
  261    H    SER  36           H        SER  36   1.053 -11.317  -4.816
  262    HA   SER  36           HA       SER  36   2.076 -11.583  -2.333
  263    HB2  SER  36           HB2      SER  36   4.397 -11.155  -3.712
  264    HB3  SER  36           HB3      SER  36   3.489 -12.664  -3.732
  265    HG   SER  36           HG       SER  36   3.157 -10.484  -5.528
  266    H    THR  37           H        THR  37   2.476  -8.740  -4.407
  267    HA   THR  37           HA       THR  37   4.181  -7.335  -2.594
  268    HB   THR  37           HB       THR  37   2.891  -5.431  -4.178
  269    HG1  THR  37           HG1      THR  37   2.317  -7.773  -5.144
  270   HG21  THR  37          HG21      THR  37   5.283  -5.513  -3.780
  271   HG22  THR  37          HG22      THR  37   5.004  -5.582  -5.520
  272   HG23  THR  37          HG23      THR  37   5.411  -7.051  -4.632
  273    H    PHE  38           H        PHE  38   0.695  -7.437  -3.148
  274    HA   PHE  38           HA       PHE  38  -0.101  -5.235  -1.638
  275    HB2  PHE  38           HB2      PHE  38  -1.423  -7.153  -3.017
  276    HB3  PHE  38           HB3      PHE  38  -1.760  -7.672  -1.366
  277    HD1  PHE  38           HD1      PHE  38  -2.511  -5.791   0.303
  278    HD2  PHE  38           HD2      PHE  38  -2.718  -5.450  -3.974
  279    HE1  PHE  38           HE1      PHE  38  -4.199  -3.988   0.528
  280    HE2  PHE  38           HE2      PHE  38  -4.406  -3.649  -3.748
  281    HZ   PHE  38           HZ       PHE  38  -5.147  -2.917  -1.498
  282    H    LYS  39           H        LYS  39   0.147  -8.628  -0.545
  283    HA   LYS  39           HA       LYS  39  -0.384  -8.205   2.156
  284    HB2  LYS  39           HB2      LYS  39   0.063 -10.402   0.740
  285    HB3  LYS  39           HB3      LYS  39   1.692 -10.209   1.386
  286    HG2  LYS  39           HG2      LYS  39   0.680 -10.022   3.684
  287    HG3  LYS  39           HG3      LYS  39  -0.881 -10.430   2.972
  288    HD2  LYS  39           HD2      LYS  39   0.051 -12.484   3.795
  289    HD3  LYS  39           HD3      LYS  39   0.219 -12.523   2.040
  290    HE2  LYS  39           HE2      LYS  39   2.500 -12.351   2.119
  291    HE3  LYS  39           HE3      LYS  39   2.473 -11.299   3.533
  292    HZ1  LYS  39           HZ1      LYS  39   3.234 -13.188   4.494
  293    HZ2  LYS  39           HZ2      LYS  39   2.466 -14.215   3.381
  294    HZ3  LYS  39           HZ3      LYS  39   1.573 -13.501   4.638
  295    H    LYS  40           H        LYS  40   2.526  -7.652   0.304
  296    HA   LYS  40           HA       LYS  40   4.393  -7.465   2.402
  297    HB2  LYS  40           HB2      LYS  40   4.736  -7.456  -0.183
  298    HB3  LYS  40           HB3      LYS  40   4.535  -5.709  -0.032
  299    HG2  LYS  40           HG2      LYS  40   6.313  -5.778   1.784
  300    HG3  LYS  40           HG3      LYS  40   6.620  -7.448   1.305
  301    HD2  LYS  40           HD2      LYS  40   6.569  -5.976  -1.096
  302    HD3  LYS  40           HD3      LYS  40   7.506  -5.000   0.035
  303    HE2  LYS  40           HE2      LYS  40   8.879  -7.008   0.579
  304    HE3  LYS  40           HE3      LYS  40   7.986  -7.917  -0.639
  305    HZ1  LYS  40           HZ1      LYS  40   8.724  -6.326  -2.306
  306    HZ2  LYS  40           HZ2      LYS  40  10.049  -7.059  -1.536
  307    HZ3  LYS  40           HZ3      LYS  40   9.598  -5.472  -1.131
  308    H    CYS  41           H        CYS  41   2.070  -5.166   1.104
  309    HA   CYS  41           HA       CYS  41   3.091  -2.885   2.491
  310    HB2  CYS  41           HB2      CYS  41   1.062  -3.414   0.584
  311    HB3  CYS  41           HB3      CYS  41   0.282  -2.644   1.965
  312    H    GLN  42           H        GLN  42   0.506  -5.228   3.148
  313    HA   GLN  42           HA       GLN  42  -0.558  -4.031   5.446
  314    HB2  GLN  42           HB2      GLN  42  -1.360  -6.106   4.087
  315    HB3  GLN  42           HB3      GLN  42  -0.324  -7.013   5.190
  316    HG2  GLN  42           HG2      GLN  42  -1.534  -6.237   7.108
  317    HG3  GLN  42           HG3      GLN  42  -2.413  -5.047   6.150
  318   HE21  GLN  42          HE21      GLN  42  -2.959  -7.887   7.665
  319   HE22  GLN  42          HE22      GLN  42  -4.101  -8.580   6.617
  320    H    THR  43           H        THR  43   2.295  -6.025   4.985
  321    HA   THR  43           HA       THR  43   2.804  -6.623   7.704
  322    HB   THR  43           HB       THR  43   5.106  -6.223   5.870
  323    HG1  THR  43           HG1      THR  43   3.695  -8.529   5.411
  324   HG21  THR  43          HG21      THR  43   4.798  -7.449   8.244
  325   HG22  THR  43          HG22      THR  43   5.976  -7.987   7.049
  326   HG23  THR  43          HG23      THR  43   4.418  -8.803   7.180
  327    H    MET  44           H        MET  44   3.541  -3.850   5.679
  328    HA   MET  44           HA       MET  44   5.242  -2.613   7.677
  329    HB2  MET  44           HB2      MET  44   5.077  -2.362   4.967
  330    HB3  MET  44           HB3      MET  44   4.171  -0.944   5.493
  331    HG2  MET  44           HG2      MET  44   6.129  -0.488   7.093
  332    HG3  MET  44           HG3      MET  44   7.025  -1.681   6.153
  333    HE1  MET  44           HE1      MET  44   8.261   1.353   6.204
  334    HE2  MET  44           HE2      MET  44   8.815   1.079   4.554
  335    HE3  MET  44           HE3      MET  44   8.755  -0.266   5.690
  336    H    LEU  45           H        LEU  45   1.919  -2.900   7.134
  337    HA   LEU  45           HA       LEU  45   1.139  -0.321   8.184
  338    HB2  LEU  45           HB2      LEU  45  -0.368  -2.850   7.517
  339    HB3  LEU  45           HB3      LEU  45  -1.150  -1.456   8.263
  340    HG   LEU  45           HG       LEU  45   0.438  -1.331   5.685
  341   HD11  LEU  45          HD11      LEU  45  -2.341  -0.795   5.313
  342   HD12  LEU  45          HD12      LEU  45  -2.204  -2.329   6.172
  343   HD13  LEU  45          HD13      LEU  45  -1.387  -2.109   4.624
  344   HD21  LEU  45          HD21      LEU  45  -1.339   0.796   5.824
  345   HD22  LEU  45          HD22      LEU  45   0.384   0.878   6.191
  346   HD23  LEU  45          HD23      LEU  45  -0.784   0.630   7.490
  347    H    HIS  46           H        HIS  46   2.129  -3.318   9.488
  348    HA   HIS  46           HA       HIS  46   1.002  -2.596  12.126
  349    HB2  HIS  46           HB2      HIS  46   0.120  -4.717  11.527
  350    HB3  HIS  46           HB3      HIS  46   1.678  -5.277  10.916
  351    HD1  HIS  46           HD1      HIS  46   2.163  -7.168  12.528
  352    HD2  HIS  46           HD2      HIS  46   1.147  -3.635  14.493
  353    HE1  HIS  46           HE1      HIS  46   2.586  -7.572  14.992
  354    H    GLN  47           H        GLN  47   3.760  -4.450  10.808
  355    HA   GLN  47           HA       GLN  47   5.994  -4.425  11.341
  356    HB2  GLN  47           HB2      GLN  47   5.133  -1.730  11.609
  357    HB3  GLN  47           HB3      GLN  47   6.185  -2.083  12.978
  358    HG2  GLN  47           HG2      GLN  47   7.969  -2.792  11.533
  359    HG3  GLN  47           HG3      GLN  47   6.913  -2.766  10.123
  360   HE21  GLN  47          HE21      GLN  47   7.948  -0.471  12.721
  361   HE22  GLN  47          HE22      GLN  47   8.117   0.853  11.672
  Start of MODEL    8
    1    H1   ALA   1           H1       ALA   1 -17.478  -1.540 -11.364
    2    H2   ALA   1           H2       ALA   1 -16.671  -0.546 -10.246
    3    H3   ALA   1           H3       ALA   1 -16.108  -2.120 -10.550
    4    HA   ALA   1           HA       ALA   1 -15.928  -1.257 -12.990
    5    HB1  ALA   1           HB1      ALA   1 -16.045   1.192 -11.246
    6    HB2  ALA   1           HB2      ALA   1 -16.795   0.915 -12.817
    7    HB3  ALA   1           HB3      ALA   1 -15.057   1.193 -12.706
    8    H    ASP   2           H        ASP   2 -14.456  -0.196  -9.913
    9    HA   ASP   2           HA       ASP   2 -12.225  -0.154  -9.268
   10    HB2  ASP   2           HB2      ASP   2 -11.417  -2.730 -10.037
   11    HB3  ASP   2           HB3      ASP   2 -12.123  -2.256  -8.495
   12    H    ASP   3           H        ASP   3 -12.228   1.268 -11.471
   13    HA   ASP   3           HA       ASP   3 -10.840   0.321 -13.720
   14    HB2  ASP   3           HB2      ASP   3 -11.426   2.981 -12.538
   15    HB3  ASP   3           HB3      ASP   3 -10.094   2.905 -13.690
   16    H    LYS   4           H        LYS   4  -9.779   0.175 -10.684
   17    HA   LYS   4           HA       LYS   4  -7.648  -0.527 -10.014
   18    HB2  LYS   4           HB2      LYS   4  -7.149  -0.495 -12.609
   19    HB3  LYS   4           HB3      LYS   4  -6.317   1.008 -12.207
   20    HG2  LYS   4           HG2      LYS   4  -5.137  -0.290 -10.358
   21    HG3  LYS   4           HG3      LYS   4  -5.787  -1.755 -11.095
   22    HD2  LYS   4           HD2      LYS   4  -4.456  -1.571 -12.971
   23    HD3  LYS   4           HD3      LYS   4  -4.388   0.189 -12.879
   24    HE2  LYS   4           HE2      LYS   4  -2.603   0.183 -11.449
   25    HE3  LYS   4           HE3      LYS   4  -3.140  -1.279 -10.621
   26    HZ1  LYS   4           HZ1      LYS   4  -1.538  -0.998 -13.052
   27    HZ2  LYS   4           HZ2      LYS   4  -2.583  -2.332 -12.943
   28    HZ3  LYS   4           HZ3      LYS   4  -1.375  -2.097 -11.772
   29    H    CYS   5           H        CYS   5  -7.770   0.690  -8.191
   30    HA   CYS   5           HA       CYS   5  -7.384   2.420  -6.736
   31    HB2  CYS   5           HB2      CYS   5  -5.407   3.804  -8.392
   32    HB3  CYS   5           HB3      CYS   5  -5.230   3.087  -6.792
   33    H    GLU   6           H        GLU   6  -8.732   2.849  -9.677
   34    HA   GLU   6           HA       GLU   6  -9.060   5.765  -9.381
   35    HB2  GLU   6           HB2      GLU   6  -9.232   3.868 -11.678
   36    HB3  GLU   6           HB3      GLU   6 -10.243   5.312 -11.715
   37    HG2  GLU   6           HG2      GLU   6  -8.178   6.670 -11.212
   38    HG3  GLU   6           HG3      GLU   6  -7.231   5.201 -11.433
   39    H    ASP   7           H        ASP   7 -10.688   2.717  -9.157
   40    HA   ASP   7           HA       ASP   7 -13.142   4.127  -8.339
   41    HB2  ASP   7           HB2      ASP   7 -13.108   3.072 -10.776
   42    HB3  ASP   7           HB3      ASP   7 -13.431   1.588  -9.880
   43    H    SER   8           H        SER   8 -10.878   2.721  -6.975
   44    HA   SER   8           HA       SER   8 -12.463   0.640  -5.590
   45    HB2  SER   8           HB2      SER   8 -10.332  -0.453  -5.043
   46    HB3  SER   8           HB3      SER   8 -10.532  -0.304  -6.787
   47    HG   SER   8           HG       SER   8  -8.466   0.424  -5.579
   48    H    LEU   9           H        LEU   9 -12.918   1.041  -3.519
   49    HA   LEU   9           HA       LEU   9 -11.580   3.295  -2.195
   50    HB2  LEU   9           HB2      LEU   9 -14.140   1.792  -1.657
   51    HB3  LEU   9           HB3      LEU   9 -13.450   2.918  -0.487
   52    HG   LEU   9           HG       LEU   9 -13.650   3.909  -3.277
   53   HD11  LEU   9          HD11      LEU   9 -16.059   3.363  -1.522
   54   HD12  LEU   9          HD12      LEU   9 -15.791   2.818  -3.178
   55   HD13  LEU   9          HD13      LEU   9 -16.076   4.527  -2.849
   56   HD21  LEU   9          HD21      LEU   9 -12.823   5.240  -1.318
   57   HD22  LEU   9          HD22      LEU   9 -14.426   5.106  -0.598
   58   HD23  LEU   9          HD23      LEU   9 -14.211   5.977  -2.117
   59    H    ARG  10           H        ARG  10 -12.753   0.064  -1.223
   60    HA   ARG  10           HA       ARG  10 -11.318  -0.174   1.139
   61    HB2  ARG  10           HB2      ARG  10 -13.092  -1.745  -0.061
   62    HB3  ARG  10           HB3      ARG  10 -11.633  -2.594  -0.576
   63    HG2  ARG  10           HG2      ARG  10 -11.079  -2.164   2.065
   64    HG3  ARG  10           HG3      ARG  10 -12.830  -2.372   2.116
   65    HD2  ARG  10           HD2      ARG  10 -12.358  -4.430   0.559
   66    HD3  ARG  10           HD3      ARG  10 -10.723  -4.310   1.202
   67    HE   ARG  10           HE       ARG  10 -11.525  -5.203   3.177
   68   HH11  ARG  10          HH21      ARG  10 -14.097  -3.770   1.358
   69   HH12  ARG  10          HH22      ARG  10 -15.339  -4.279   2.454
   70   HH21  ARG  10          HH11      ARG  10 -13.149  -5.874   4.616
   71   HH22  ARG  10          HH12      ARG  10 -14.803  -5.469   4.298
   72    H    ARG  11           H        ARG  11 -10.040   0.224  -1.899
   73    HA   ARG  11           HA       ARG  11  -7.555  -1.218  -1.204
   74    HB2  ARG  11           HB2      ARG  11  -8.699  -1.880  -3.337
   75    HB3  ARG  11           HB3      ARG  11  -8.417  -0.243  -3.934
   76    HG2  ARG  11           HG2      ARG  11  -5.945  -0.630  -3.377
   77    HG3  ARG  11           HG3      ARG  11  -6.364  -2.336  -3.201
   78    HD2  ARG  11           HD2      ARG  11  -7.536  -1.895  -5.563
   79    HD3  ARG  11           HD3      ARG  11  -6.306  -0.637  -5.656
   80    HE   ARG  11           HE       ARG  11  -4.745  -2.309  -5.992
   81   HH11  ARG  11          HH21      ARG  11  -7.569  -3.581  -4.445
   82   HH12  ARG  11          HH22      ARG  11  -7.020  -5.223  -4.489
   83   HH21  ARG  11          HH11      ARG  11  -4.021  -4.461  -6.051
   84   HH22  ARG  11          HH12      ARG  11  -5.013  -5.721  -5.398
   85    H    GLU  12           H        GLU  12  -8.964   1.863  -2.039
   86    HA   GLU  12           HA       GLU  12  -6.452   3.212  -2.442
   87    HB2  GLU  12           HB2      GLU  12  -8.355   4.134  -3.551
   88    HB3  GLU  12           HB3      GLU  12  -9.283   4.188  -2.051
   89    HG2  GLU  12           HG2      GLU  12  -8.070   6.000  -1.209
   90    HG3  GLU  12           HG3      GLU  12  -6.679   5.675  -2.243
   91    H    ILE  13           H        ILE  13  -8.510   2.487   0.271
   92    HA   ILE  13           HA       ILE  13  -7.354   4.465   2.024
   93    HB   ILE  13           HB       ILE  13  -8.977   2.007   2.719
   94   HG12  ILE  13          HG12      ILE  13  -9.966   4.851   2.421
   95   HG13  ILE  13          HG13      ILE  13 -10.016   3.698   1.086
   96   HG21  ILE  13          HG21      ILE  13  -8.120   4.487   4.209
   97   HG22  ILE  13          HG22      ILE  13  -7.974   2.802   4.706
   98   HG23  ILE  13          HG23      ILE  13  -9.554   3.583   4.692
   99   HD11  ILE  13          HD11      ILE  13 -12.121   3.394   2.054
  100   HD12  ILE  13          HD12      ILE  13 -11.511   3.637   3.691
  101   HD13  ILE  13          HD13      ILE  13 -11.176   2.129   2.841
  102    H    ALA  14           H        ALA  14  -6.667   1.176   1.113
  103    HA   ALA  14           HA       ALA  14  -4.820   0.799   3.347
  104    HB1  ALA  14           HB1      ALA  14  -6.414  -0.965   2.086
  105    HB2  ALA  14           HB2      ALA  14  -4.914  -1.433   2.886
  106    HB3  ALA  14           HB3      ALA  14  -4.941  -1.178   1.140
  107    H    CYS  15           H        CYS  15  -4.793   1.653  -0.023
  108    HA   CYS  15           HA       CYS  15  -1.937   1.168  -0.311
  109    HB2  CYS  15           HB2      CYS  15  -3.979   2.398  -2.175
  110    HB3  CYS  15           HB3      CYS  15  -2.285   2.131  -2.587
  111    H    THR  16           H        THR  16  -4.060   3.757   0.551
  112    HA   THR  16           HA       THR  16  -2.177   5.870  -0.038
  113    HB   THR  16           HB       THR  16  -4.778   5.809   1.499
  114    HG1  THR  16           HG1      THR  16  -5.574   6.233  -0.382
  115   HG21  THR  16          HG21      THR  16  -4.610   8.283   1.482
  116   HG22  THR  16          HG22      THR  16  -2.983   8.153   0.816
  117   HG23  THR  16          HG23      THR  16  -3.323   7.544   2.436
  118    H    LYS  17           H        LYS  17  -2.840   3.730   2.594
  119    HA   LYS  17           HA       LYS  17  -1.520   5.359   4.596
  120    HB2  LYS  17           HB2      LYS  17  -2.777   2.641   4.530
  121    HB3  LYS  17           HB3      LYS  17  -1.679   3.051   5.848
  122    HG2  LYS  17           HG2      LYS  17  -3.975   4.847   5.048
  123    HG3  LYS  17           HG3      LYS  17  -4.158   3.562   6.242
  124    HD2  LYS  17           HD2      LYS  17  -1.997   4.672   7.295
  125    HD3  LYS  17           HD3      LYS  17  -2.561   6.091   6.411
  126    HE2  LYS  17           HE2      LYS  17  -3.743   4.741   8.769
  127    HE3  LYS  17           HE3      LYS  17  -3.813   6.438   8.290
  128    HZ1  LYS  17           HZ1      LYS  17  -5.496   4.190   7.404
  129    HZ2  LYS  17           HZ2      LYS  17  -5.296   5.547   6.399
  130    HZ3  LYS  17           HZ3      LYS  17  -5.962   5.726   7.951
  131    H    CYS  18           H        CYS  18  -0.575   3.178   2.153
  132    HA   CYS  18           HA       CYS  18   1.893   2.372   3.486
  133    HB2  CYS  18           HB2      CYS  18   0.332   1.462   1.209
  134    HB3  CYS  18           HB3      CYS  18   2.044   1.603   0.812
  135    H    ARG  19           H        ARG  19   0.843   4.422   0.794
  136    HA   ARG  19           HA       ARG  19   3.471   5.161  -0.030
  137    HB2  ARG  19           HB2      ARG  19   2.423   6.626  -1.529
  138    HB3  ARG  19           HB3      ARG  19   1.239   5.333  -1.331
  139    HG2  ARG  19           HG2      ARG  19   0.186   6.733   0.510
  140    HG3  ARG  19           HG3      ARG  19   1.232   8.056  -0.009
  141    HD2  ARG  19           HD2      ARG  19   0.296   7.771  -2.335
  142    HD3  ARG  19           HD3      ARG  19  -0.864   6.629  -1.665
  143    HE   ARG  19           HE       ARG  19  -0.850   9.172  -0.297
  144   HH11  ARG  19          HH21      ARG  19  -2.029   7.356  -2.997
  145   HH12  ARG  19          HH22      ARG  19  -3.458   8.315  -3.195
  146   HH21  ARG  19          HH11      ARG  19  -2.721  10.434  -0.551
  147   HH22  ARG  19          HH12      ARG  19  -3.849  10.059  -1.810
  148    H    ASP  20           H        ASP  20   1.135   6.497   2.245
  149    HA   ASP  20           HA       ASP  20   2.416   8.983   2.684
  150    HB2  ASP  20           HB2      ASP  20   0.089   8.442   3.392
  151    HB3  ASP  20           HB3      ASP  20   0.749   7.388   4.641
  152    H    ARG  21           H        ARG  21   3.053   5.762   3.807
  153    HA   ARG  21           HA       ARG  21   4.592   6.394   6.102
  154    HB2  ARG  21           HB2      ARG  21   3.696   4.128   5.603
  155    HB3  ARG  21           HB3      ARG  21   4.855   3.990   4.279
  156    HG2  ARG  21           HG2      ARG  21   5.837   2.902   6.189
  157    HG3  ARG  21           HG3      ARG  21   6.689   4.431   5.968
  158    HD2  ARG  21           HD2      ARG  21   5.870   5.317   7.902
  159    HD3  ARG  21           HD3      ARG  21   4.288   4.577   7.686
  160    HE   ARG  21           HE       ARG  21   6.319   2.646   8.332
  161   HH11  ARG  21          HH21      ARG  21   4.164   5.051   9.575
  162   HH12  ARG  21          HH22      ARG  21   4.058   4.341  11.151
  163   HH21  ARG  21          HH11      ARG  21   6.186   1.709  10.397
  164   HH22  ARG  21          HH12      ARG  21   5.203   2.449  11.616
  165    H    VAL  22           H        VAL  22   5.545   5.651   2.749
  166    HA   VAL  22           HA       VAL  22   8.262   6.605   3.330
  167    HB   VAL  22           HB       VAL  22   7.408   5.518   0.671
  168   HG11  VAL  22          HG11      VAL  22   9.788   6.412   1.685
  169   HG12  VAL  22          HG12      VAL  22   9.648   5.251   0.365
  170   HG13  VAL  22          HG13      VAL  22   9.901   4.683   2.016
  171   HG21  VAL  22          HG21      VAL  22   6.532   3.750   1.882
  172   HG22  VAL  22          HG22      VAL  22   7.564   4.060   3.279
  173   HG23  VAL  22          HG23      VAL  22   8.227   3.265   1.851
  174    H    ARG  23           H        ARG  23   5.369   7.840   2.287
  175    HA   ARG  23           HA       ARG  23   4.735   9.698   1.088
  176    HB2  ARG  23           HB2      ARG  23   7.515  10.597   1.890
  177    HB3  ARG  23           HB3      ARG  23   6.202  11.648   1.358
  178    HG2  ARG  23           HG2      ARG  23   4.869  10.457   3.301
  179    HG3  ARG  23           HG3      ARG  23   6.485  10.125   3.926
  180    HD2  ARG  23           HD2      ARG  23   5.524  12.882   3.123
  181    HD3  ARG  23           HD3      ARG  23   5.477  12.272   4.774
  182    HE   ARG  23           HE       ARG  23   7.887  12.957   3.242
  183   HH11  ARG  23          HH21      ARG  23   6.379  11.717   6.100
  184   HH12  ARG  23          HH22      ARG  23   7.792  11.887   7.087
  185   HH21  ARG  23          HH11      ARG  23   9.744  13.182   4.531
  186   HH22  ARG  23          HH12      ARG  23   9.698  12.715   6.198
  187    H    THR  24           H        THR  24   6.094   7.515  -0.367
  188    HA   THR  24           HA       THR  24   7.173   9.089  -2.630
  189    HB   THR  24           HB       THR  24   7.795   6.186  -2.083
  190    HG1  THR  24           HG1      THR  24   9.890   7.445  -1.486
  191   HG21  THR  24          HG21      THR  24   8.280   7.967  -4.237
  192   HG22  THR  24          HG22      THR  24   8.914   6.336  -4.024
  193   HG23  THR  24          HG23      THR  24   9.824   7.721  -3.421
  194    H    ASP  25           H        ASP  25   5.929   9.084  -4.380
  195    HA   ASP  25           HA       ASP  25   3.503   7.731  -4.621
  196    HB2  ASP  25           HB2      ASP  25   3.872   9.634  -6.001
  197    HB3  ASP  25           HB3      ASP  25   5.336   8.938  -6.693
  198    H    ASP  26           H        ASP  26   6.753   6.750  -5.484
  199    HA   ASP  26           HA       ASP  26   6.075   4.557  -7.147
  200    HB2  ASP  26           HB2      ASP  26   8.411   5.778  -6.413
  201    HB3  ASP  26           HB3      ASP  26   8.507   4.261  -5.520
  202    H    TYR  27           H        TYR  27   5.930   5.041  -3.745
  203    HA   TYR  27           HA       TYR  27   5.905   2.185  -3.136
  204    HB2  TYR  27           HB2      TYR  27   6.262   4.655  -1.637
  205    HB3  TYR  27           HB3      TYR  27   5.105   3.578  -0.856
  206    HD1  TYR  27           HD1      TYR  27   8.391   3.329  -2.667
  207    HD2  TYR  27           HD2      TYR  27   5.970   2.011   0.629
  208    HE1  TYR  27           HE1      TYR  27  10.255   1.902  -1.869
  209    HE2  TYR  27           HE2      TYR  27   7.835   0.583   1.426
  210    HH   TYR  27           HH       TYR  27  10.114   0.255   1.223
  211    H    PHE  28           H        PHE  28   3.744   4.392  -4.332
  212    HA   PHE  28           HA       PHE  28   1.410   3.444  -2.879
  213    HB2  PHE  28           HB2      PHE  28   1.385   5.764  -3.471
  214    HB3  PHE  28           HB3      PHE  28   1.801   5.402  -5.147
  215    HD1  PHE  28           HD2      PHE  28  -0.779   4.502  -2.582
  216    HD2  PHE  28           HD1      PHE  28   0.088   5.294  -6.711
  217    HE1  PHE  28           HE2      PHE  28  -3.180   4.260  -3.132
  218    HE2  PHE  28           HE1      PHE  28  -2.311   5.049  -7.262
  219    HZ   PHE  28           HZ       PHE  28  -3.953   4.532  -5.474
  220    H    TYR  29           H        TYR  29   2.448   3.546  -6.294
  221    HA   TYR  29           HA       TYR  29   0.491   1.925  -7.390
  222    HB2  TYR  29           HB2      TYR  29   2.412   3.208  -8.545
  223    HB3  TYR  29           HB3      TYR  29   3.365   1.749  -8.272
  224    HD1  TYR  29           HD2      TYR  29   2.225  -0.511  -8.991
  225    HD2  TYR  29           HD1      TYR  29   1.080   3.359 -10.462
  226    HE1  TYR  29           HE2      TYR  29   1.167  -1.576 -10.965
  227    HE2  TYR  29           HE1      TYR  29   0.021   2.294 -12.437
  228    HH   TYR  29           HH       TYR  29   0.447  -1.085 -13.150
  229    H    GLU  30           H        GLU  30   3.421   1.022  -5.653
  230    HA   GLU  30           HA       GLU  30   3.562  -1.691  -6.219
  231    HB2  GLU  30           HB2      GLU  30   4.103  -0.298  -3.584
  232    HB3  GLU  30           HB3      GLU  30   4.645  -1.923  -4.005
  233    HG2  GLU  30           HG2      GLU  30   5.303   0.183  -5.979
  234    HG3  GLU  30           HG3      GLU  30   6.133   0.314  -4.430
  235    H    CYS  31           H        CYS  31   1.453   0.031  -3.976
  236    HA   CYS  31           HA       CYS  31   0.376  -2.296  -2.722
  237    HB2  CYS  31           HB2      CYS  31   0.238  -0.116  -1.641
  238    HB3  CYS  31           HB3      CYS  31  -0.738   0.508  -2.971
  239    H    CYS  32           H        CYS  32  -0.773  -0.190  -5.352
  240    HA   CYS  32           HA       CYS  32  -3.171  -1.674  -5.805
  241    HB2  CYS  32           HB2      CYS  32  -1.997   0.730  -6.766
  242    HB3  CYS  32           HB3      CYS  32  -2.364  -0.278  -8.165
  243    H    THR  33           H        THR  33  -0.170  -2.763  -6.092
  244    HA   THR  33           HA       THR  33  -0.291  -3.921  -8.750
  245    HB   THR  33           HB       THR  33   1.637  -4.977  -6.762
  246    HG1  THR  33           HG1      THR  33   2.705  -2.763  -7.552
  247   HG21  THR  33          HG21      THR  33   2.974  -5.193  -8.618
  248   HG22  THR  33          HG22      THR  33   2.384  -3.697  -9.345
  249   HG23  THR  33          HG23      THR  33   1.408  -5.164  -9.429
  250    H    SER  34           H        SER  34   0.792  -6.472  -8.135
  251    HA   SER  34           HA       SER  34  -1.411  -8.100  -8.057
  252    HB2  SER  34           HB2      SER  34   0.791  -9.338  -6.624
  253    HB3  SER  34           HB3      SER  34   0.119  -9.736  -8.202
  254    HG   SER  34           HG       SER  34   1.998  -7.697  -7.579
  255    H    GLU  35           H        GLU  35  -1.590  -9.878  -6.171
  256    HA   GLU  35           HA       GLU  35  -2.547  -8.378  -3.862
  257    HB2  GLU  35           HB2      GLU  35  -3.627 -10.464  -5.169
  258    HB3  GLU  35           HB3      GLU  35  -2.723 -11.344  -3.935
  259    HG2  GLU  35           HG2      GLU  35  -3.793  -9.521  -2.330
  260    HG3  GLU  35           HG3      GLU  35  -5.000  -9.427  -3.613
  261    H    SER  36           H        SER  36   0.257 -10.017  -4.784
  262    HA   SER  36           HA       SER  36   0.993 -11.059  -2.199
  263    HB2  SER  36           HB2      SER  36   1.828 -11.893  -4.468
  264    HB3  SER  36           HB3      SER  36   2.866 -10.470  -4.491
  265    HG   SER  36           HG       SER  36   3.838 -12.375  -3.559
  266    H    THR  37           H        THR  37   2.437  -8.480  -4.213
  267    HA   THR  37           HA       THR  37   4.046  -7.356  -2.240
  268    HB   THR  37           HB       THR  37   2.733  -5.538  -4.209
  269    HG1  THR  37           HG1      THR  37   3.436  -7.898  -4.935
  270   HG21  THR  37          HG21      THR  37   4.639  -4.898  -2.675
  271   HG22  THR  37          HG22      THR  37   4.964  -4.654  -4.392
  272   HG23  THR  37          HG23      THR  37   5.643  -6.050  -3.556
  273    H    PHE  38           H        PHE  38   0.647  -7.352  -2.522
  274    HA   PHE  38           HA       PHE  38  -0.001  -4.912  -1.247
  275    HB2  PHE  38           HB2      PHE  38  -1.451  -6.897  -2.409
  276    HB3  PHE  38           HB3      PHE  38  -1.753  -7.229  -0.702
  277    HD1  PHE  38           HD1      PHE  38  -2.653  -5.403   0.779
  278    HD2  PHE  38           HD2      PHE  38  -2.405  -4.992  -3.490
  279    HE1  PHE  38           HE1      PHE  38  -4.252  -3.509   0.869
  280    HE2  PHE  38           HE2      PHE  38  -4.004  -3.099  -3.400
  281    HZ   PHE  38           HZ       PHE  38  -4.928  -2.357  -1.221
  282    H    LYS  39           H        LYS  39   0.462  -8.203   0.036
  283    HA   LYS  39           HA       LYS  39  -0.026  -7.550   2.746
  284    HB2  LYS  39           HB2      LYS  39   0.736  -9.860   1.250
  285    HB3  LYS  39           HB3      LYS  39   1.871  -9.678   2.588
  286    HG2  LYS  39           HG2      LYS  39   0.041 -10.972   3.436
  287    HG3  LYS  39           HG3      LYS  39  -0.150  -9.350   4.102
  288    HD2  LYS  39           HD2      LYS  39  -1.631  -8.903   2.015
  289    HD3  LYS  39           HD3      LYS  39  -1.696 -10.660   1.871
  290    HE2  LYS  39           HE2      LYS  39  -2.187 -10.232   4.566
  291    HE3  LYS  39           HE3      LYS  39  -3.043  -8.903   3.786
  292    HZ1  LYS  39           HZ1      LYS  39  -4.617 -10.322   3.207
  293    HZ2  LYS  39           HZ2      LYS  39  -3.764 -11.614   3.909
  294    HZ3  LYS  39           HZ3      LYS  39  -3.502 -11.202   2.281
  295    H    LYS  40           H        LYS  40   3.081  -8.099   1.057
  296    HA   LYS  40           HA       LYS  40   4.889  -7.509   2.988
  297    HB2  LYS  40           HB2      LYS  40   5.163  -7.868   0.378
  298    HB3  LYS  40           HB3      LYS  40   5.261  -6.106   0.374
  299    HG2  LYS  40           HG2      LYS  40   7.088  -6.173   2.003
  300    HG3  LYS  40           HG3      LYS  40   6.963  -7.930   2.098
  301    HD2  LYS  40           HD2      LYS  40   7.221  -7.587  -0.594
  302    HD3  LYS  40           HD3      LYS  40   8.187  -6.237   0.003
  303    HE2  LYS  40           HE2      LYS  40   9.696  -8.079  -0.150
  304    HE3  LYS  40           HE3      LYS  40   9.313  -7.923   1.565
  305    HZ1  LYS  40           HZ1      LYS  40   7.590  -9.640  -0.048
  306    HZ2  LYS  40           HZ2      LYS  40   8.089  -9.811   1.567
  307    HZ3  LYS  40           HZ3      LYS  40   9.147 -10.217   0.300
  308    H    CYS  41           H        CYS  41   2.522  -5.384   1.687
  309    HA   CYS  41           HA       CYS  41   3.815  -2.995   2.789
  310    HB2  CYS  41           HB2      CYS  41   2.313  -3.351   0.536
  311    HB3  CYS  41           HB3      CYS  41   1.098  -2.763   1.671
  312    H    GLN  42           H        GLN  42   0.723  -4.750   3.054
  313    HA   GLN  42           HA       GLN  42  -0.294  -3.246   5.220
  314    HB2  GLN  42           HB2      GLN  42  -0.879  -6.068   4.301
  315    HB3  GLN  42           HB3      GLN  42  -1.796  -5.231   5.554
  316    HG2  GLN  42           HG2      GLN  42  -1.397  -3.772   2.991
  317    HG3  GLN  42           HG3      GLN  42  -2.498  -5.148   2.957
  318   HE21  GLN  42          HE21      GLN  42  -4.534  -4.112   2.965
  319   HE22  GLN  42          HE22      GLN  42  -5.031  -3.023   4.168
  320    H    THR  43           H        THR  43   1.837  -6.028   5.037
  321    HA   THR  43           HA       THR  43   1.709  -6.801   7.759
  322    HB   THR  43           HB       THR  43   4.124  -7.110   5.974
  323    HG1  THR  43           HG1      THR  43   2.880  -8.204   4.712
  324   HG21  THR  43          HG21      THR  43   4.847  -8.392   7.668
  325   HG22  THR  43          HG22      THR  43   3.423  -9.418   7.497
  326   HG23  THR  43          HG23      THR  43   3.381  -8.026   8.578
  327    H    MET  44           H        MET  44   3.323  -4.217   6.112
  328    HA   MET  44           HA       MET  44   5.161  -3.701   8.316
  329    HB2  MET  44           HB2      MET  44   4.797  -2.715   5.549
  330    HB3  MET  44           HB3      MET  44   5.405  -1.535   6.710
  331    HG2  MET  44           HG2      MET  44   7.353  -2.725   7.111
  332    HG3  MET  44           HG3      MET  44   6.616  -4.273   6.697
  333    HE1  MET  44           HE1      MET  44   7.303  -0.780   5.393
  334    HE2  MET  44           HE2      MET  44   5.932  -1.180   4.361
  335    HE3  MET  44           HE3      MET  44   7.528  -0.962   3.648
  336    H    LEU  45           H        LEU  45   1.974  -2.907   7.438
  337    HA   LEU  45           HA       LEU  45   1.873  -0.299   8.651
  338    HB2  LEU  45           HB2      LEU  45  -0.007  -2.142   7.326
  339    HB3  LEU  45           HB3      LEU  45  -0.720  -1.147   8.597
  340    HG   LEU  45           HG       LEU  45   0.983  -0.065   6.333
  341   HD11  LEU  45          HD11      LEU  45  -1.273  -1.040   5.665
  342   HD12  LEU  45          HD12      LEU  45  -1.051   0.670   5.295
  343   HD13  LEU  45          HD13      LEU  45  -2.014   0.187   6.692
  344   HD21  LEU  45          HD21      LEU  45  -0.662   1.919   7.451
  345   HD22  LEU  45          HD22      LEU  45   1.080   1.750   7.673
  346   HD23  LEU  45          HD23      LEU  45  -0.031   1.023   8.833
  347    H    HIS  46           H        HIS  46   1.179  -3.606   9.663
  348    HA   HIS  46           HA       HIS  46   1.477  -2.930  12.429
  349    HB2  HIS  46           HB2      HIS  46  -0.806  -2.075  12.084
  350    HB3  HIS  46           HB3      HIS  46  -1.304  -3.652  11.472
  351    HD1  HIS  46           HD1      HIS  46   1.060  -4.308  14.059
  352    HD2  HIS  46           HD2      HIS  46  -2.971  -3.244  14.033
  353    HE1  HIS  46           HE1      HIS  46   0.139  -4.932  16.334
  354    H    GLN  47           H        GLN  47   2.926  -4.705  11.133
  355    HA   GLN  47           HA       GLN  47   3.598  -6.900  11.043
  356    HB2  GLN  47           HB2      GLN  47   2.820  -6.399  13.600
  357    HB3  GLN  47           HB3      GLN  47   1.771  -7.758  13.197
  358    HG2  GLN  47           HG2      GLN  47   4.041  -8.731  12.185
  359    HG3  GLN  47           HG3      GLN  47   4.750  -7.654  13.386
  360   HE21  GLN  47          HE21      GLN  47   1.803  -9.748  13.436
  361   HE22  GLN  47          HE22      GLN  47   2.231 -10.551  14.869
  Start of MODEL    9
    1    H1   ALA   1           H1       ALA   1 -17.265   0.922 -11.816
    2    H2   ALA   1           H2       ALA   1 -15.586   0.774 -12.033
    3    H3   ALA   1           H3       ALA   1 -16.220   2.077 -11.145
    4    HA   ALA   1           HA       ALA   1 -16.581   0.857  -9.289
    5    HB1  ALA   1           HB1      ALA   1 -17.518  -1.037 -11.265
    6    HB2  ALA   1           HB2      ALA   1 -17.952  -0.909  -9.560
    7    HB3  ALA   1           HB3      ALA   1 -16.549  -1.861 -10.043
    8    H    ASP   2           H        ASP   2 -14.899   0.381  -7.972
    9    HA   ASP   2           HA       ASP   2 -12.598   0.272  -7.534
   10    HB2  ASP   2           HB2      ASP   2 -12.978  -2.467  -8.736
   11    HB3  ASP   2           HB3      ASP   2 -11.953  -2.001  -7.379
   12    H    ASP   3           H        ASP   3 -13.111   1.404 -10.159
   13    HA   ASP   3           HA       ASP   3 -11.952   0.564 -12.385
   14    HB2  ASP   3           HB2      ASP   3 -12.300   3.093 -11.240
   15    HB3  ASP   3           HB3      ASP   3 -10.599   3.037 -11.695
   16    H    LYS   4           H        LYS   4  -9.807   2.140 -10.010
   17    HA   LYS   4           HA       LYS   4  -7.947   0.038  -9.814
   18    HB2  LYS   4           HB2      LYS   4  -7.692   0.715 -12.277
   19    HB3  LYS   4           HB3      LYS   4  -6.967   2.204 -11.670
   20    HG2  LYS   4           HG2      LYS   4  -5.069   0.892 -11.882
   21    HG3  LYS   4           HG3      LYS   4  -5.523   0.509 -10.222
   22    HD2  LYS   4           HD2      LYS   4  -5.277  -1.632 -11.069
   23    HD3  LYS   4           HD3      LYS   4  -6.987  -1.362 -11.414
   24    HE2  LYS   4           HE2      LYS   4  -6.124  -2.154 -13.465
   25    HE3  LYS   4           HE3      LYS   4  -6.168  -0.404 -13.679
   26    HZ1  LYS   4           HZ1      LYS   4  -4.049  -1.478 -14.360
   27    HZ2  LYS   4           HZ2      LYS   4  -3.779  -1.885 -12.732
   28    HZ3  LYS   4           HZ3      LYS   4  -3.863  -0.254 -13.202
   29    H    CYS   5           H        CYS   5  -7.784   0.616  -7.691
   30    HA   CYS   5           HA       CYS   5  -7.189   1.828  -5.828
   31    HB2  CYS   5           HB2      CYS   5  -5.144   3.389  -7.267
   32    HB3  CYS   5           HB3      CYS   5  -4.984   2.342  -5.856
   33    H    GLU   6           H        GLU   6  -8.729   3.201  -8.310
   34    HA   GLU   6           HA       GLU   6  -8.663   5.917  -7.147
   35    HB2  GLU   6           HB2      GLU   6  -8.065   5.581  -9.618
   36    HB3  GLU   6           HB3      GLU   6  -9.770   5.201  -9.859
   37    HG2  GLU   6           HG2      GLU   6  -9.936   7.487  -8.359
   38    HG3  GLU   6           HG3      GLU   6  -8.483   7.797  -9.308
   39    H    ASP   7           H        ASP   7 -10.595   3.126  -7.803
   40    HA   ASP   7           HA       ASP   7 -12.961   4.553  -6.743
   41    HB2  ASP   7           HB2      ASP   7 -12.953   3.710  -9.226
   42    HB3  ASP   7           HB3      ASP   7 -13.232   2.134  -8.489
   43    H    SER   8           H        SER   8 -10.894   1.763  -6.611
   44    HA   SER   8           HA       SER   8 -12.561   0.092  -5.023
   45    HB2  SER   8           HB2      SER   8  -9.696  -0.200  -4.540
   46    HB3  SER   8           HB3      SER   8 -10.850  -1.362  -5.186
   47    HG   SER   8           HG       SER   8 -10.183   0.800  -6.801
   48    H    LEU   9           H        LEU   9 -13.426   1.577  -3.467
   49    HA   LEU   9           HA       LEU   9 -11.912   3.113  -1.672
   50    HB2  LEU   9           HB2      LEU   9 -14.680   2.132  -1.852
   51    HB3  LEU   9           HB3      LEU   9 -14.116   2.428  -0.208
   52    HG   LEU   9           HG       LEU   9 -13.294   4.689  -1.004
   53   HD11  LEU   9          HD11      LEU   9 -13.360   3.925  -3.454
   54   HD12  LEU   9          HD12      LEU   9 -14.006   5.530  -3.116
   55   HD13  LEU   9          HD13      LEU   9 -15.103   4.174  -3.371
   56   HD21  LEU   9          HD21      LEU   9 -16.210   3.906  -1.030
   57   HD22  LEU   9          HD22      LEU   9 -15.717   5.588  -1.235
   58   HD23  LEU   9          HD23      LEU   9 -15.304   4.721   0.244
   59    H    ARG  10           H        ARG  10 -11.600  -0.086  -2.070
   60    HA   ARG  10           HA       ARG  10 -11.240  -0.647   0.807
   61    HB2  ARG  10           HB2      ARG  10 -11.534  -2.535  -1.541
   62    HB3  ARG  10           HB3      ARG  10 -11.224  -3.041   0.121
   63    HG2  ARG  10           HG2      ARG  10 -13.319  -2.170   0.878
   64    HG3  ARG  10           HG3      ARG  10 -13.582  -1.303  -0.635
   65    HD2  ARG  10           HD2      ARG  10 -14.815  -3.577  -0.249
   66    HD3  ARG  10           HD3      ARG  10 -14.089  -3.254  -1.820
   67    HE   ARG  10           HE       ARG  10 -12.641  -5.012  -1.419
   68   HH11  ARG  10          HH21      ARG  10 -13.946  -3.811   1.553
   69   HH12  ARG  10          HH22      ARG  10 -13.206  -5.034   2.531
   70   HH21  ARG  10          HH11      ARG  10 -11.669  -6.618  -0.143
   71   HH22  ARG  10          HH12      ARG  10 -11.916  -6.623   1.571
   72    H    ARG  11           H        ARG  11  -9.601  -0.262  -2.210
   73    HA   ARG  11           HA       ARG  11  -7.090  -1.227  -0.984
   74    HB2  ARG  11           HB2      ARG  11  -7.678  -0.775  -3.920
   75    HB3  ARG  11           HB3      ARG  11  -6.225  -1.502  -3.234
   76    HG2  ARG  11           HG2      ARG  11  -7.415  -3.423  -2.478
   77    HG3  ARG  11           HG3      ARG  11  -8.978  -2.649  -2.743
   78    HD2  ARG  11           HD2      ARG  11  -7.393  -2.677  -5.179
   79    HD3  ARG  11           HD3      ARG  11  -7.613  -4.305  -4.543
   80    HE   ARG  11           HE       ARG  11  -9.631  -2.667  -5.742
   81   HH11  ARG  11          HH21      ARG  11  -9.003  -5.026  -3.290
   82   HH12  ARG  11          HH22      ARG  11 -10.615  -5.661  -3.293
   83   HH21  ARG  11          HH11      ARG  11 -11.747  -3.492  -5.750
   84   HH22  ARG  11          HH12      ARG  11 -12.169  -4.790  -4.685
   85    H    GLU  12           H        GLU  12  -8.832   1.518  -1.715
   86    HA   GLU  12           HA       GLU  12  -6.539   3.206  -2.350
   87    HB2  GLU  12           HB2      GLU  12  -8.631   3.699  -3.484
   88    HB3  GLU  12           HB3      GLU  12  -9.469   3.847  -1.939
   89    HG2  GLU  12           HG2      GLU  12  -7.049   5.534  -2.276
   90    HG3  GLU  12           HG3      GLU  12  -8.440   5.970  -3.266
   91    H    ILE  13           H        ILE  13  -8.488   2.268   0.370
   92    HA   ILE  13           HA       ILE  13  -7.650   4.464   2.054
   93    HB   ILE  13           HB       ILE  13  -9.151   1.896   2.570
   94   HG12  ILE  13          HG12      ILE  13  -9.949   4.817   2.794
   95   HG13  ILE  13          HG13      ILE  13 -10.294   3.795   1.397
   96   HG21  ILE  13          HG21      ILE  13  -7.809   3.749   4.445
   97   HG22  ILE  13          HG22      ILE  13  -8.333   2.082   4.690
   98   HG23  ILE  13          HG23      ILE  13  -9.496   3.402   4.823
   99   HD11  ILE  13          HD11      ILE  13 -11.889   2.568   2.515
  100   HD12  ILE  13          HD12      ILE  13 -12.043   4.078   3.410
  101   HD13  ILE  13          HD13      ILE  13 -11.089   2.753   4.075
  102    H    ALA  14           H        ALA  14  -6.616   1.190   1.375
  103    HA   ALA  14           HA       ALA  14  -4.769   1.118   3.614
  104    HB1  ALA  14           HB1      ALA  14  -4.363  -0.870   1.512
  105    HB2  ALA  14           HB2      ALA  14  -6.026  -0.820   2.095
  106    HB3  ALA  14           HB3      ALA  14  -4.703  -1.099   3.227
  107    H    CYS  15           H        CYS  15  -4.499   1.154   0.054
  108    HA   CYS  15           HA       CYS  15  -1.700   1.341  -0.061
  109    HB2  CYS  15           HB2      CYS  15  -3.844   2.258  -1.978
  110    HB3  CYS  15           HB3      CYS  15  -2.123   2.351  -2.347
  111    H    THR  16           H        THR  16  -3.997   3.623   0.979
  112    HA   THR  16           HA       THR  16  -2.498   5.986   0.277
  113    HB   THR  16           HB       THR  16  -4.842   5.495   2.118
  114    HG1  THR  16           HG1      THR  16  -4.633   7.044  -0.236
  115   HG21  THR  16          HG21      THR  16  -4.236   7.400   3.169
  116   HG22  THR  16          HG22      THR  16  -4.680   8.223   1.673
  117   HG23  THR  16          HG23      THR  16  -3.002   7.764   1.962
  118    H    LYS  17           H        LYS  17  -2.772   3.841   3.041
  119    HA   LYS  17           HA       LYS  17  -1.213   5.526   4.793
  120    HB2  LYS  17           HB2      LYS  17  -2.181   2.669   4.990
  121    HB3  LYS  17           HB3      LYS  17  -1.227   3.453   6.248
  122    HG2  LYS  17           HG2      LYS  17  -2.922   5.145   6.576
  123    HG3  LYS  17           HG3      LYS  17  -3.833   4.570   5.179
  124    HD2  LYS  17           HD2      LYS  17  -4.126   2.370   6.330
  125    HD3  LYS  17           HD3      LYS  17  -3.330   3.045   7.753
  126    HE2  LYS  17           HE2      LYS  17  -5.614   4.581   6.598
  127    HE3  LYS  17           HE3      LYS  17  -5.992   3.099   7.476
  128    HZ1  LYS  17           HZ1      LYS  17  -4.942   5.616   8.455
  129    HZ2  LYS  17           HZ2      LYS  17  -4.214   4.227   9.111
  130    HZ3  LYS  17           HZ3      LYS  17  -5.892   4.454   9.245
  131    H    CYS  18           H        CYS  18  -0.587   3.066   2.436
  132    HA   CYS  18           HA       CYS  18   2.002   2.304   3.419
  133    HB2  CYS  18           HB2      CYS  18   0.396   1.784   0.962
  134    HB3  CYS  18           HB3      CYS  18   2.138   1.527   0.878
  135    H    ARG  19           H        ARG  19   0.955   4.235   0.601
  136    HA   ARG  19           HA       ARG  19   3.486   5.076  -0.218
  137    HB2  ARG  19           HB2      ARG  19   2.390   6.539  -1.636
  138    HB3  ARG  19           HB3      ARG  19   1.095   5.395  -1.282
  139    HG2  ARG  19           HG2      ARG  19   0.405   6.919   0.622
  140    HG3  ARG  19           HG3      ARG  19   1.552   8.103  -0.007
  141    HD2  ARG  19           HD2      ARG  19   0.248   7.546  -2.286
  142    HD3  ARG  19           HD3      ARG  19  -1.044   7.184  -1.146
  143    HE   ARG  19           HE       ARG  19  -0.171   9.771  -1.877
  144   HH11  ARG  19          HH21      ARG  19  -1.032   7.868   0.882
  145   HH12  ARG  19          HH22      ARG  19  -1.597   9.217   1.808
  146   HH21  ARG  19          HH11      ARG  19  -0.909  11.545  -0.669
  147   HH22  ARG  19          HH12      ARG  19  -1.528  11.300   0.930
  148    H    ASP  20           H        ASP  20   1.291   6.460   2.188
  149    HA   ASP  20           HA       ASP  20   2.686   8.854   2.675
  150    HB2  ASP  20           HB2      ASP  20   0.398   7.661   3.661
  151    HB3  ASP  20           HB3      ASP  20   1.476   7.664   5.055
  152    H    ARG  21           H        ARG  21   3.212   5.574   3.786
  153    HA   ARG  21           HA       ARG  21   5.028   6.205   5.891
  154    HB2  ARG  21           HB2      ARG  21   3.810   4.021   5.632
  155    HB3  ARG  21           HB3      ARG  21   4.888   3.645   4.287
  156    HG2  ARG  21           HG2      ARG  21   6.336   4.561   6.658
  157    HG3  ARG  21           HG3      ARG  21   5.395   3.102   6.963
  158    HD2  ARG  21           HD2      ARG  21   7.499   3.522   4.831
  159    HD3  ARG  21           HD3      ARG  21   7.544   2.383   6.174
  160    HE   ARG  21           HE       ARG  21   5.296   1.966   4.415
  161   HH11  ARG  21          HH21      ARG  21   8.658   1.372   4.980
  162   HH12  ARG  21          HH22      ARG  21   8.700  -0.085   4.044
  163   HH21  ARG  21          HH11      ARG  21   5.342   0.057   3.186
  164   HH22  ARG  21          HH12      ARG  21   6.821  -0.830   3.028
  165    H    VAL  22           H        VAL  22   5.478   5.192   2.509
  166    HA   VAL  22           HA       VAL  22   8.356   5.482   2.678
  167    HB   VAL  22           HB       VAL  22   6.657   5.118   0.203
  168   HG11  VAL  22          HG11      VAL  22   8.634   4.496  -0.864
  169   HG12  VAL  22          HG12      VAL  22   9.436   4.070   0.648
  170   HG13  VAL  22          HG13      VAL  22   9.211   5.766   0.216
  171   HG21  VAL  22          HG21      VAL  22   6.029   3.227   1.380
  172   HG22  VAL  22          HG22      VAL  22   7.495   3.224   2.361
  173   HG23  VAL  22          HG23      VAL  22   7.547   2.647   0.695
  174    H    ARG  23           H        ARG  23   5.625   7.411   1.726
  175    HA   ARG  23           HA       ARG  23   5.449   9.609   1.094
  176    HB2  ARG  23           HB2      ARG  23   8.386   9.837   1.762
  177    HB3  ARG  23           HB3      ARG  23   7.184  11.127   1.731
  178    HG2  ARG  23           HG2      ARG  23   5.938   9.846   3.544
  179    HG3  ARG  23           HG3      ARG  23   7.369   8.825   3.684
  180    HD2  ARG  23           HD2      ARG  23   7.965  10.404   5.234
  181    HD3  ARG  23           HD3      ARG  23   8.559  11.234   3.798
  182    HE   ARG  23           HE       ARG  23   5.817  11.870   4.293
  183   HH11  ARG  23          HH21      ARG  23   9.065  12.455   5.331
  184   HH12  ARG  23          HH22      ARG  23   8.732  14.042   5.941
  185   HH21  ARG  23          HH11      ARG  23   5.371  13.950   5.089
  186   HH22  ARG  23          HH12      ARG  23   6.639  14.889   5.804
  187    H    THR  24           H        THR  24   5.938   7.679  -0.903
  188    HA   THR  24           HA       THR  24   7.231   9.385  -2.916
  189    HB   THR  24           HB       THR  24   7.915   6.494  -2.374
  190    HG1  THR  24           HG1      THR  24   9.913   7.311  -2.086
  191   HG21  THR  24          HG21      THR  24   7.813   6.369  -4.668
  192   HG22  THR  24          HG22      THR  24   9.419   7.084  -4.510
  193   HG23  THR  24          HG23      THR  24   8.030   8.108  -4.876
  194    H    ASP  25           H        ASP  25   5.769   9.719  -4.450
  195    HA   ASP  25           HA       ASP  25   3.345   8.376  -4.734
  196    HB2  ASP  25           HB2      ASP  25   4.223   9.375  -7.287
  197    HB3  ASP  25           HB3      ASP  25   2.988  10.023  -6.207
  198    H    ASP  26           H        ASP  26   6.508   7.515  -5.838
  199    HA   ASP  26           HA       ASP  26   5.611   5.654  -7.857
  200    HB2  ASP  26           HB2      ASP  26   7.973   6.923  -7.419
  201    HB3  ASP  26           HB3      ASP  26   8.321   5.340  -6.725
  202    H    TYR  27           H        TYR  27   5.728   5.628  -4.493
  203    HA   TYR  27           HA       TYR  27   6.137   2.729  -4.298
  204    HB2  TYR  27           HB2      TYR  27   7.149   4.452  -2.669
  205    HB3  TYR  27           HB3      TYR  27   5.520   4.577  -2.003
  206    HD1  TYR  27           HD1      TYR  27   4.424   2.617  -0.965
  207    HD2  TYR  27           HD2      TYR  27   8.481   2.451  -2.371
  208    HE1  TYR  27           HE1      TYR  27   4.786   0.530   0.325
  209    HE2  TYR  27           HE2      TYR  27   8.842   0.364  -1.079
  210    HH   TYR  27           HH       TYR  27   7.410  -0.609   1.277
  211    H    PHE  28           H        PHE  28   3.622   5.048  -4.483
  212    HA   PHE  28           HA       PHE  28   1.607   3.647  -3.042
  213    HB2  PHE  28           HB2      PHE  28   1.251   5.964  -3.434
  214    HB3  PHE  28           HB3      PHE  28   1.538   5.791  -5.166
  215    HD1  PHE  28           HD1      PHE  28  -0.830   5.157  -2.414
  216    HD2  PHE  28           HD2      PHE  28  -0.152   4.885  -6.643
  217    HE1  PHE  28           HE1      PHE  28  -3.240   4.712  -2.770
  218    HE2  PHE  28           HE2      PHE  28  -2.558   4.442  -7.002
  219    HZ   PHE  28           HZ       PHE  28  -4.110   4.354  -5.067
  220    H    TYR  29           H        TYR  29   2.396   3.875  -6.515
  221    HA   TYR  29           HA       TYR  29   0.377   2.162  -7.452
  222    HB2  TYR  29           HB2      TYR  29   1.838   3.592  -8.897
  223    HB3  TYR  29           HB3      TYR  29   3.163   2.465  -8.602
  224    HD1  TYR  29           HD2      TYR  29  -0.312   2.695  -9.936
  225    HD2  TYR  29           HD1      TYR  29   3.344   0.444  -9.827
  226    HE1  TYR  29           HE2      TYR  29  -1.170   1.217 -11.732
  227    HE2  TYR  29           HE1      TYR  29   2.486  -1.036 -11.623
  228    HH   TYR  29           HH       TYR  29  -0.648  -1.285 -12.459
  229    H    GLU  30           H        GLU  30   3.494   1.527  -5.992
  230    HA   GLU  30           HA       GLU  30   3.763  -1.193  -6.672
  231    HB2  GLU  30           HB2      GLU  30   5.425   0.470  -5.501
  232    HB3  GLU  30           HB3      GLU  30   4.693  -0.153  -4.021
  233    HG2  GLU  30           HG2      GLU  30   5.128  -2.459  -5.457
  234    HG3  GLU  30           HG3      GLU  30   6.522  -1.478  -5.906
  235    H    CYS  31           H        CYS  31   1.748   0.449  -4.385
  236    HA   CYS  31           HA       CYS  31   1.190  -1.833  -2.729
  237    HB2  CYS  31           HB2      CYS  31   0.916   0.397  -1.815
  238    HB3  CYS  31           HB3      CYS  31  -0.250   0.807  -3.073
  239    H    CYS  32           H        CYS  32  -0.292  -0.300  -5.534
  240    HA   CYS  32           HA       CYS  32  -2.610  -2.034  -5.483
  241    HB2  CYS  32           HB2      CYS  32  -1.873   0.395  -6.778
  242    HB3  CYS  32           HB3      CYS  32  -2.291  -0.782  -8.026
  243    H    THR  33           H        THR  33   0.509  -2.665  -6.190
  244    HA   THR  33           HA       THR  33   0.324  -3.997  -8.705
  245    HB   THR  33           HB       THR  33   2.328  -4.984  -6.775
  246    HG1  THR  33           HG1      THR  33   1.725  -2.454  -6.730
  247   HG21  THR  33          HG21      THR  33   2.139  -5.221  -9.375
  248   HG22  THR  33          HG22      THR  33   3.717  -4.916  -8.652
  249   HG23  THR  33          HG23      THR  33   2.816  -3.593  -9.392
  250    H    SER  34           H        SER  34   1.633  -6.459  -7.903
  251    HA   SER  34           HA       SER  34  -0.499  -8.224  -7.852
  252    HB2  SER  34           HB2      SER  34   1.720  -8.975  -8.445
  253    HB3  SER  34           HB3      SER  34   2.325  -8.600  -6.834
  254    HG   SER  34           HG       SER  34   0.160 -10.367  -7.241
  255    H    GLU  35           H        GLU  35  -1.015  -9.822  -6.113
  256    HA   GLU  35           HA       GLU  35  -1.866  -8.433  -3.754
  257    HB2  GLU  35           HB2      GLU  35  -1.980 -11.344  -4.566
  258    HB3  GLU  35           HB3      GLU  35  -2.672 -10.722  -3.069
  259    HG2  GLU  35           HG2      GLU  35  -4.064  -9.147  -4.379
  260    HG3  GLU  35           HG3      GLU  35  -3.397  -9.813  -5.868
  261    H    SER  36           H        SER  36   0.678 -10.760  -4.521
  262    HA   SER  36           HA       SER  36   1.500 -11.455  -1.953
  263    HB2  SER  36           HB2      SER  36   3.863 -11.433  -3.219
  264    HB3  SER  36           HB3      SER  36   2.652 -12.679  -3.504
  265    HG   SER  36           HG       SER  36   3.234 -11.875  -5.481
  266    H    THR  37           H        THR  37   2.141  -8.555  -3.840
  267    HA   THR  37           HA       THR  37   4.013  -7.506  -1.875
  268    HB   THR  37           HB       THR  37   3.191  -5.470  -3.668
  269    HG1  THR  37           HG1      THR  37   2.470  -6.650  -5.248
  270   HG21  THR  37          HG21      THR  37   5.512  -6.027  -4.650
  271   HG22  THR  37          HG22      THR  37   5.596  -7.271  -3.402
  272   HG23  THR  37          HG23      THR  37   5.440  -5.575  -2.946
  273    H    PHE  38           H        PHE  38   0.630  -7.335  -2.617
  274    HA   PHE  38           HA       PHE  38   0.033  -4.896  -1.274
  275    HB2  PHE  38           HB2      PHE  38  -1.393  -6.368  -2.936
  276    HB3  PHE  38           HB3      PHE  38  -1.953  -7.126  -1.446
  277    HD1  PHE  38           HD1      PHE  38  -2.604  -5.426   0.492
  278    HD2  PHE  38           HD2      PHE  38  -2.501  -4.460  -3.691
  279    HE1  PHE  38           HE1      PHE  38  -4.130  -3.513   0.896
  280    HE2  PHE  38           HE2      PHE  38  -4.026  -2.548  -3.288
  281    HZ   PHE  38           HZ       PHE  38  -4.841  -2.073  -0.994
  282    H    LYS  39           H        LYS  39  -0.198  -8.310  -0.291
  283    HA   LYS  39           HA       LYS  39  -1.174  -7.905   2.300
  284    HB2  LYS  39           HB2      LYS  39  -0.902 -10.103   1.008
  285    HB3  LYS  39           HB3      LYS  39   0.770 -10.092   1.570
  286    HG2  LYS  39           HG2      LYS  39   0.040 -10.042   3.891
  287    HG3  LYS  39           HG3      LYS  39  -1.645  -9.899   3.391
  288    HD2  LYS  39           HD2      LYS  39  -1.618 -12.172   3.653
  289    HD3  LYS  39           HD3      LYS  39  -0.951 -12.127   2.020
  290    HE2  LYS  39           HE2      LYS  39   0.603 -13.465   3.155
  291    HE3  LYS  39           HE3      LYS  39   1.349 -11.868   3.235
  292    HZ1  LYS  39           HZ1      LYS  39  -0.156 -13.294   5.348
  293    HZ2  LYS  39           HZ2      LYS  39   0.137 -11.622   5.422
  294    HZ3  LYS  39           HZ3      LYS  39   1.438 -12.714   5.402
  295    H    LYS  40           H        LYS  40   2.179  -8.092   1.125
  296    HA   LYS  40           HA       LYS  40   3.515  -7.950   3.561
  297    HB2  LYS  40           HB2      LYS  40   4.263  -7.950   0.914
  298    HB3  LYS  40           HB3      LYS  40   4.747  -6.337   1.443
  299    HG2  LYS  40           HG2      LYS  40   6.052  -7.254   3.263
  300    HG3  LYS  40           HG3      LYS  40   5.443  -8.878   2.940
  301    HD2  LYS  40           HD2      LYS  40   7.674  -8.666   1.984
  302    HD3  LYS  40           HD3      LYS  40   6.496  -8.774   0.675
  303    HE2  LYS  40           HE2      LYS  40   6.633  -6.459   0.205
  304    HE3  LYS  40           HE3      LYS  40   7.401  -6.105   1.753
  305    HZ1  LYS  40           HZ1      LYS  40   9.049  -6.056   0.045
  306    HZ2  LYS  40           HZ2      LYS  40   8.589  -7.589  -0.526
  307    HZ3  LYS  40           HZ3      LYS  40   9.323  -7.432   0.999
  308    H    CYS  41           H        CYS  41   2.269  -5.317   1.529
  309    HA   CYS  41           HA       CYS  41   3.277  -3.158   3.007
  310    HB2  CYS  41           HB2      CYS  41   1.762  -3.422   0.742
  311    HB3  CYS  41           HB3      CYS  41   0.589  -2.762   1.881
  312    H    GLN  42           H        GLN  42   0.596  -5.298   3.604
  313    HA   GLN  42           HA       GLN  42  -0.606  -3.606   5.625
  314    HB2  GLN  42           HB2      GLN  42  -1.594  -5.593   4.061
  315    HB3  GLN  42           HB3      GLN  42  -1.292  -6.480   5.555
  316    HG2  GLN  42           HG2      GLN  42  -2.437  -4.310   6.621
  317    HG3  GLN  42           HG3      GLN  42  -3.194  -4.242   5.030
  318   HE21  GLN  42          HE21      GLN  42  -5.119  -4.725   6.700
  319   HE22  GLN  42          HE22      GLN  42  -5.493  -6.371   6.890
  320    H    THR  43           H        THR  43   1.771  -6.130   5.459
  321    HA   THR  43           HA       THR  43   1.669  -6.914   8.208
  322    HB   THR  43           HB       THR  43   4.163  -7.135   6.559
  323    HG1  THR  43           HG1      THR  43   2.144  -7.623   5.334
  324   HG21  THR  43          HG21      THR  43   4.409  -9.196   7.741
  325   HG22  THR  43          HG22      THR  43   2.729  -9.168   8.277
  326   HG23  THR  43          HG23      THR  43   3.884  -8.011   8.937
  327    H    MET  44           H        MET  44   3.348  -4.434   6.385
  328    HA   MET  44           HA       MET  44   5.064  -3.693   8.603
  329    HB2  MET  44           HB2      MET  44   4.593  -2.621   5.831
  330    HB3  MET  44           HB3      MET  44   5.519  -1.695   7.011
  331    HG2  MET  44           HG2      MET  44   6.860  -3.891   7.364
  332    HG3  MET  44           HG3      MET  44   6.148  -4.397   5.833
  333    HE1  MET  44           HE1      MET  44   8.908  -2.961   7.546
  334    HE2  MET  44           HE2      MET  44   8.089  -1.402   7.592
  335    HE3  MET  44           HE3      MET  44   9.558  -1.591   6.637
  336    H    LEU  45           H        LEU  45   1.912  -2.936   7.458
  337    HA   LEU  45           HA       LEU  45   1.766  -0.367   8.814
  338    HB2  LEU  45           HB2      LEU  45  -0.242  -2.034   7.293
  339    HB3  LEU  45           HB3      LEU  45  -0.675  -0.537   8.119
  340    HG   LEU  45           HG       LEU  45   1.534  -0.742   6.056
  341   HD11  LEU  45          HD11      LEU  45  -1.402  -0.135   5.825
  342   HD12  LEU  45          HD12      LEU  45  -0.382  -1.109   4.765
  343   HD13  LEU  45          HD13      LEU  45  -0.258   0.650   4.737
  344   HD21  LEU  45          HD21      LEU  45   0.760   1.848   6.118
  345   HD22  LEU  45          HD22      LEU  45   2.031   1.210   7.163
  346   HD23  LEU  45          HD23      LEU  45   0.390   1.396   7.782
  347    H    HIS  46           H        HIS  46   1.287  -3.669   9.558
  348    HA   HIS  46           HA       HIS  46  -0.437  -3.043  11.859
  349    HB2  HIS  46           HB2      HIS  46  -0.758  -5.039  10.161
  350    HB3  HIS  46           HB3      HIS  46   0.446  -5.822  11.186
  351    HD1  HIS  46           HD1      HIS  46  -2.612  -3.647  11.934
  352    HD2  HIS  46           HD2      HIS  46  -0.888  -7.253  13.120
  353    HE1  HIS  46           HE1      HIS  46  -4.108  -4.595  13.747
  354    H    GLN  47           H        GLN  47   2.701  -4.451  11.021
  355    HA   GLN  47           HA       GLN  47   3.943  -3.564  13.405
  356    HB2  GLN  47           HB2      GLN  47   4.395  -5.960  14.270
  357    HB3  GLN  47           HB3      GLN  47   2.838  -5.223  14.647
  358    HG2  GLN  47           HG2      GLN  47   1.688  -6.537  13.105
  359    HG3  GLN  47           HG3      GLN  47   3.127  -6.831  12.131
  360   HE21  GLN  47          HE21      GLN  47   4.854  -7.603  14.376
  361   HE22  GLN  47          HE22      GLN  47   4.303  -9.114  14.920
  Start of MODEL   10
    1    H1   ALA   1           H1       ALA   1  -7.092   5.811 -13.866
    2    H2   ALA   1           H2       ALA   1  -7.038   4.207 -14.424
    3    H3   ALA   1           H3       ALA   1  -7.128   4.528 -12.758
    4    HA   ALA   1           HA       ALA   1  -9.323   5.609 -13.161
    5    HB1  ALA   1           HB1      ALA   1  -9.641   4.084 -15.660
    6    HB2  ALA   1           HB2      ALA   1  -8.536   5.451 -15.791
    7    HB3  ALA   1           HB3      ALA   1 -10.196   5.708 -15.255
    8    H    ASP   2           H        ASP   2 -10.281   4.354 -11.687
    9    HA   ASP   2           HA       ASP   2 -10.903   2.456 -10.517
   10    HB2  ASP   2           HB2      ASP   2 -11.687   1.422 -13.240
   11    HB3  ASP   2           HB3      ASP   2 -12.479   1.134 -11.692
   12    H    ASP   3           H        ASP   3  -8.134   2.449 -11.506
   13    HA   ASP   3           HA       ASP   3  -7.485  -0.139 -12.508
   14    HB2  ASP   3           HB2      ASP   3  -6.035   2.231 -11.542
   15    HB3  ASP   3           HB3      ASP   3  -5.209   0.705 -11.233
   16    H    LYS   4           H        LYS   4  -9.198  -0.871 -10.685
   17    HA   LYS   4           HA       LYS   4  -9.480  -2.326  -8.930
   18    HB2  LYS   4           HB2      LYS   4  -7.129  -3.094  -9.901
   19    HB3  LYS   4           HB3      LYS   4  -6.550  -2.437  -8.370
   20    HG2  LYS   4           HG2      LYS   4  -7.927  -3.916  -7.100
   21    HG3  LYS   4           HG3      LYS   4  -8.863  -4.382  -8.520
   22    HD2  LYS   4           HD2      LYS   4  -6.073  -4.889  -9.020
   23    HD3  LYS   4           HD3      LYS   4  -6.537  -5.644  -7.495
   24    HE2  LYS   4           HE2      LYS   4  -7.011  -7.263  -9.187
   25    HE3  LYS   4           HE3      LYS   4  -8.570  -6.575  -8.731
   26    HZ1  LYS   4           HZ1      LYS   4  -8.273  -4.995 -10.620
   27    HZ2  LYS   4           HZ2      LYS   4  -8.476  -6.617 -11.081
   28    HZ3  LYS   4           HZ3      LYS   4  -6.932  -5.908 -11.110
   29    H    CYS   5           H        CYS   5  -7.584   0.529  -8.656
   30    HA   CYS   5           HA       CYS   5  -7.793   0.578  -5.731
   31    HB2  CYS   5           HB2      CYS   5  -6.330   2.240  -7.766
   32    HB3  CYS   5           HB3      CYS   5  -6.573   2.838  -6.125
   33    H    GLU   6           H        GLU   6  -8.150   3.247  -8.034
   34    HA   GLU   6           HA       GLU   6  -9.933   4.782  -6.649
   35    HB2  GLU   6           HB2      GLU   6  -9.822   4.319  -9.638
   36    HB3  GLU   6           HB3      GLU   6 -10.715   5.631  -8.868
   37    HG2  GLU   6           HG2      GLU   6  -7.961   5.435  -7.904
   38    HG3  GLU   6           HG3      GLU   6  -8.050   5.723  -9.641
   39    H    ASP   7           H        ASP   7 -10.567   1.810  -8.345
   40    HA   ASP   7           HA       ASP   7 -13.366   2.000  -8.612
   41    HB2  ASP   7           HB2      ASP   7 -11.668   0.239  -9.537
   42    HB3  ASP   7           HB3      ASP   7 -12.002  -0.606  -8.027
   43    H    SER   8           H        SER   8 -11.531   0.151  -6.167
   44    HA   SER   8           HA       SER   8 -13.876   0.169  -4.420
   45    HB2  SER   8           HB2      SER   8 -11.489  -1.498  -4.736
   46    HB3  SER   8           HB3      SER   8 -11.878  -1.145  -3.055
   47    HG   SER   8           HG       SER   8 -14.118  -1.730  -3.754
   48    H    LEU   9           H        LEU   9 -14.103   2.009  -3.285
   49    HA   LEU   9           HA       LEU   9 -11.999   3.738  -2.531
   50    HB2  LEU   9           HB2      LEU   9 -14.885   3.471  -1.916
   51    HB3  LEU   9           HB3      LEU   9 -13.918   4.342  -0.726
   52    HG   LEU   9           HG       LEU   9 -13.038   5.805  -2.509
   53   HD11  LEU   9          HD11      LEU   9 -14.584   3.878  -4.187
   54   HD12  LEU   9          HD12      LEU   9 -13.040   4.666  -4.517
   55   HD13  LEU   9          HD13      LEU   9 -14.546   5.564  -4.706
   56   HD21  LEU   9          HD21      LEU   9 -16.046   5.544  -2.274
   57   HD22  LEU   9          HD22      LEU   9 -15.274   6.888  -3.116
   58   HD23  LEU   9          HD23      LEU   9 -14.985   6.644  -1.393
   59    H    ARG  10           H        ARG  10 -12.509   0.678  -1.530
   60    HA   ARG  10           HA       ARG  10 -11.757   1.138   1.275
   61    HB2  ARG  10           HB2      ARG  10 -13.622  -0.476   0.564
   62    HB3  ARG  10           HB3      ARG  10 -12.328  -1.530  -0.003
   63    HG2  ARG  10           HG2      ARG  10 -11.351  -1.626   2.211
   64    HG3  ARG  10           HG3      ARG  10 -12.485  -0.415   2.810
   65    HD2  ARG  10           HD2      ARG  10 -13.692  -2.806   1.535
   66    HD3  ARG  10           HD3      ARG  10 -12.888  -3.081   3.077
   67    HE   ARG  10           HE       ARG  10 -14.511  -1.730   4.125
   68   HH11  ARG  10          HH21      ARG  10 -14.815  -1.784   0.679
   69   HH12  ARG  10          HH22      ARG  10 -16.391  -1.063   0.668
   70   HH21  ARG  10          HH11      ARG  10 -16.577  -0.786   4.119
   71   HH22  ARG  10          HH12      ARG  10 -17.388  -0.498   2.615
   72    H    ARG  11           H        ARG  11 -10.572  -0.203  -1.744
   73    HA   ARG  11           HA       ARG  11  -8.162  -1.274  -0.516
   74    HB2  ARG  11           HB2      ARG  11  -9.511  -1.472  -3.100
   75    HB3  ARG  11           HB3      ARG  11  -7.766  -1.272  -3.258
   76    HG2  ARG  11           HG2      ARG  11  -8.208  -3.638  -3.089
   77    HG3  ARG  11           HG3      ARG  11  -7.486  -3.125  -1.563
   78    HD2  ARG  11           HD2      ARG  11  -9.429  -3.425  -0.383
   79    HD3  ARG  11           HD3      ARG  11 -10.450  -2.970  -1.745
   80    HE   ARG  11           HE       ARG  11  -9.395  -5.640  -1.174
   81   HH11  ARG  11          HH21      ARG  11 -11.005  -3.462  -3.330
   82   HH12  ARG  11          HH22      ARG  11 -11.729  -4.717  -4.278
   83   HH21  ARG  11          HH11      ARG  11 -10.339  -7.290  -2.413
   84   HH22  ARG  11          HH12      ARG  11 -11.352  -6.886  -3.758
   85    H    GLU  12           H        GLU  12  -9.222   1.740  -1.540
   86    HA   GLU  12           HA       GLU  12  -6.666   2.698  -2.531
   87    HB2  GLU  12           HB2      GLU  12  -8.815   3.569  -3.423
   88    HB3  GLU  12           HB3      GLU  12  -9.172   4.247  -1.834
   89    HG2  GLU  12           HG2      GLU  12  -6.809   5.363  -2.082
   90    HG3  GLU  12           HG3      GLU  12  -7.052   5.059  -3.801
   91    H    ILE  13           H        ILE  13  -8.611   2.941   0.410
   92    HA   ILE  13           HA       ILE  13  -7.017   4.876   1.727
   93    HB   ILE  13           HB       ILE  13  -8.516   2.722   3.191
   94   HG12  ILE  13          HG12      ILE  13 -10.041   3.316   1.422
   95   HG13  ILE  13          HG13      ILE  13 -10.553   4.203   2.858
   96   HG21  ILE  13          HG21      ILE  13  -9.114   4.775   4.571
   97   HG22  ILE  13          HG22      ILE  13  -7.956   5.670   3.588
   98   HG23  ILE  13          HG23      ILE  13  -7.408   4.326   4.589
   99   HD11  ILE  13          HD11      ILE  13 -10.545   5.693   0.907
  100   HD12  ILE  13          HD12      ILE  13  -8.853   5.306   0.602
  101   HD13  ILE  13          HD13      ILE  13  -9.305   6.192   2.058
  102    H    ALA  14           H        ALA  14  -6.799   1.381   1.441
  103    HA   ALA  14           HA       ALA  14  -4.779   1.084   3.465
  104    HB1  ALA  14           HB1      ALA  14  -6.447  -0.683   2.442
  105    HB2  ALA  14           HB2      ALA  14  -4.839  -1.178   2.973
  106    HB3  ALA  14           HB3      ALA  14  -5.157  -0.904   1.259
  107    H    CYS  15           H        CYS  15  -4.807   1.187  -0.084
  108    HA   CYS  15           HA       CYS  15  -2.010   0.829  -0.405
  109    HB2  CYS  15           HB2      CYS  15  -4.127   2.027  -2.196
  110    HB3  CYS  15           HB3      CYS  15  -2.447   1.832  -2.691
  111    H    THR  16           H        THR  16  -3.950   3.533   0.508
  112    HA   THR  16           HA       THR  16  -2.003   5.541  -0.240
  113    HB   THR  16           HB       THR  16  -4.414   5.752   1.580
  114    HG1  THR  16           HG1      THR  16  -5.476   6.396  -0.223
  115   HG21  THR  16          HG21      THR  16  -3.066   7.615   2.060
  116   HG22  THR  16          HG22      THR  16  -4.138   8.216   0.796
  117   HG23  THR  16          HG23      THR  16  -2.486   7.741   0.400
  118    H    LYS  17           H        LYS  17  -3.169   4.109   2.805
  119    HA   LYS  17           HA       LYS  17  -1.485   5.485   4.561
  120    HB2  LYS  17           HB2      LYS  17  -2.761   2.757   4.671
  121    HB3  LYS  17           HB3      LYS  17  -1.744   3.351   5.984
  122    HG2  LYS  17           HG2      LYS  17  -3.183   5.284   6.297
  123    HG3  LYS  17           HG3      LYS  17  -4.145   4.841   4.886
  124    HD2  LYS  17           HD2      LYS  17  -4.834   2.754   5.996
  125    HD3  LYS  17           HD3      LYS  17  -3.855   3.172   7.403
  126    HE2  LYS  17           HE2      LYS  17  -5.359   4.717   8.154
  127    HE3  LYS  17           HE3      LYS  17  -5.765   5.258   6.526
  128    HZ1  LYS  17           HZ1      LYS  17  -7.141   3.429   8.171
  129    HZ2  LYS  17           HZ2      LYS  17  -6.644   2.635   6.754
  130    HZ3  LYS  17           HZ3      LYS  17  -7.593   4.041   6.655
  131    H    CYS  18           H        CYS  18  -0.787   3.038   2.253
  132    HA   CYS  18           HA       CYS  18   1.646   2.097   3.484
  133    HB2  CYS  18           HB2      CYS  18  -0.019   1.209   1.436
  134    HB3  CYS  18           HB3      CYS  18   1.467   1.679   0.613
  135    H    ARG  19           H        ARG  19   0.993   3.955   0.499
  136    HA   ARG  19           HA       ARG  19   3.638   4.679  -0.038
  137    HB2  ARG  19           HB2      ARG  19   2.777   6.090  -1.649
  138    HB3  ARG  19           HB3      ARG  19   1.396   5.023  -1.397
  139    HG2  ARG  19           HG2      ARG  19   0.558   6.680   0.325
  140    HG3  ARG  19           HG3      ARG  19   1.829   7.776  -0.215
  141    HD2  ARG  19           HD2      ARG  19   0.922   7.575  -2.547
  142    HD3  ARG  19           HD3      ARG  19  -0.421   6.640  -1.895
  143    HE   ARG  19           HE       ARG  19  -0.323   9.009  -0.434
  144   HH11  ARG  19          HH21      ARG  19  -0.743   7.979  -3.710
  145   HH12  ARG  19          HH22      ARG  19  -1.754   9.316  -4.147
  146   HH21  ARG  19          HH11      ARG  19  -1.648  10.767  -1.000
  147   HH22  ARG  19          HH12      ARG  19  -2.266  10.893  -2.612
  148    H    ASP  20           H        ASP  20   1.230   6.164   2.060
  149    HA   ASP  20           HA       ASP  20   2.496   8.589   2.619
  150    HB2  ASP  20           HB2      ASP  20   0.188   7.891   3.346
  151    HB3  ASP  20           HB3      ASP  20   0.945   6.922   4.608
  152    H    ARG  21           H        ARG  21   3.036   5.364   3.937
  153    HA   ARG  21           HA       ARG  21   4.706   6.059   6.093
  154    HB2  ARG  21           HB2      ARG  21   3.659   3.766   5.445
  155    HB3  ARG  21           HB3      ARG  21   5.121   3.558   4.478
  156    HG2  ARG  21           HG2      ARG  21   6.481   4.054   6.525
  157    HG3  ARG  21           HG3      ARG  21   4.985   4.082   7.461
  158    HD2  ARG  21           HD2      ARG  21   4.512   1.756   6.710
  159    HD3  ARG  21           HD3      ARG  21   6.059   1.736   5.870
  160    HE   ARG  21           HE       ARG  21   7.148   1.590   7.948
  161   HH11  ARG  21          HH21      ARG  21   3.740   2.102   8.260
  162   HH12  ARG  21          HH22      ARG  21   3.698   1.727   9.951
  163   HH21  ARG  21          HH11      ARG  21   7.101   1.098  10.164
  164   HH22  ARG  21          HH12      ARG  21   5.602   1.160  11.029
  165    H    VAL  22           H        VAL  22   5.501   5.199   2.731
  166    HA   VAL  22           HA       VAL  22   8.291   5.986   3.186
  167    HB   VAL  22           HB       VAL  22   7.331   5.057   0.522
  168   HG11  VAL  22          HG11      VAL  22   9.697   5.572   0.905
  169   HG12  VAL  22          HG12      VAL  22   9.496   3.840   0.643
  170   HG13  VAL  22          HG13      VAL  22   9.735   4.462   2.275
  171   HG21  VAL  22          HG21      VAL  22   6.146   3.428   1.705
  172   HG22  VAL  22          HG22      VAL  22   7.266   3.459   3.066
  173   HG23  VAL  22          HG23      VAL  22   7.730   2.665   1.561
  174    H    ARG  23           H        ARG  23   5.409   7.359   2.189
  175    HA   ARG  23           HA       ARG  23   4.843   9.253   1.009
  176    HB2  ARG  23           HB2      ARG  23   7.610  10.105   1.889
  177    HB3  ARG  23           HB3      ARG  23   6.290  11.172   1.412
  178    HG2  ARG  23           HG2      ARG  23   4.920  10.254   3.284
  179    HG3  ARG  23           HG3      ARG  23   6.308   9.293   3.792
  180    HD2  ARG  23           HD2      ARG  23   7.535  11.166   4.450
  181    HD3  ARG  23           HD3      ARG  23   6.620  12.254   3.410
  182    HE   ARG  23           HE       ARG  23   5.079  12.507   5.126
  183   HH11  ARG  23          HH21      ARG  23   7.074   9.729   5.649
  184   HH12  ARG  23          HH22      ARG  23   6.468   9.421   7.242
  185   HH21  ARG  23          HH11      ARG  23   4.280  12.111   7.215
  186   HH22  ARG  23          HH12      ARG  23   4.886  10.769   8.128
  187    H    THR  24           H        THR  24   6.055   7.136  -0.560
  188    HA   THR  24           HA       THR  24   7.388   8.761  -2.645
  189    HB   THR  24           HB       THR  24   7.644   5.778  -2.537
  190    HG1  THR  24           HG1      THR  24   8.188   6.567  -0.460
  191   HG21  THR  24          HG21      THR  24   8.471   7.101  -4.474
  192   HG22  THR  24          HG22      THR  24   9.776   6.277  -3.619
  193   HG23  THR  24          HG23      THR  24   9.518   8.005  -3.378
  194    H    ASP  25           H        ASP  25   6.203   9.080  -4.405
  195    HA   ASP  25           HA       ASP  25   3.656   8.025  -4.844
  196    HB2  ASP  25           HB2      ASP  25   4.999  10.026  -5.966
  197    HB3  ASP  25           HB3      ASP  25   5.318   8.804  -7.196
  198    H    ASP  26           H        ASP  26   6.446   6.323  -4.837
  199    HA   ASP  26           HA       ASP  26   5.739   4.552  -7.068
  200    HB2  ASP  26           HB2      ASP  26   8.068   5.105  -6.984
  201    HB3  ASP  26           HB3      ASP  26   8.161   4.713  -5.269
  202    H    TYR  27           H        TYR  27   6.289   4.456  -3.554
  203    HA   TYR  27           HA       TYR  27   5.719   1.724  -3.191
  204    HB2  TYR  27           HB2      TYR  27   6.142   4.046  -1.513
  205    HB3  TYR  27           HB3      TYR  27   4.840   3.042  -0.875
  206    HD1  TYR  27           HD1      TYR  27   8.364   2.924  -2.102
  207    HD2  TYR  27           HD2      TYR  27   5.300   0.980   0.197
  208    HE1  TYR  27           HE1      TYR  27  10.029   1.287  -1.267
  209    HE2  TYR  27           HE2      TYR  27   6.966  -0.657   1.032
  210    HH   TYR  27           HH       TYR  27   9.307  -0.914   1.310
  211    H    PHE  28           H        PHE  28   3.682   4.281  -4.100
  212    HA   PHE  28           HA       PHE  28   1.262   3.339  -2.894
  213    HB2  PHE  28           HB2      PHE  28   1.419   5.663  -3.517
  214    HB3  PHE  28           HB3      PHE  28   1.799   5.238  -5.187
  215    HD1  PHE  28           HD2      PHE  28  -0.776   4.208  -2.661
  216    HD2  PHE  28           HD1      PHE  28   0.034   5.545  -6.659
  217    HE1  PHE  28           HE2      PHE  28  -3.190   4.094  -3.188
  218    HE2  PHE  28           HE1      PHE  28  -2.379   5.429  -7.187
  219    HZ   PHE  28           HZ       PHE  28  -4.000   4.704  -5.453
  220    H    TYR  29           H        TYR  29   2.271   3.479  -6.320
  221    HA   TYR  29           HA       TYR  29   0.321   1.836  -7.386
  222    HB2  TYR  29           HB2      TYR  29   2.876   2.870  -8.228
  223    HB3  TYR  29           HB3      TYR  29   2.714   1.196  -8.756
  224    HD1  TYR  29           HD2      TYR  29   0.276   4.020  -8.328
  225    HD2  TYR  29           HD1      TYR  29   1.991   1.096 -10.967
  226    HE1  TYR  29           HE2      TYR  29  -1.272   4.736 -10.128
  227    HE2  TYR  29           HE1      TYR  29   0.442   1.813 -12.767
  228    HH   TYR  29           HH       TYR  29  -1.849   2.944 -12.877
  229    H    GLU  30           H        GLU  30   3.448   0.912  -5.981
  230    HA   GLU  30           HA       GLU  30   3.562  -1.768  -6.471
  231    HB2  GLU  30           HB2      GLU  30   4.819  -0.030  -4.706
  232    HB3  GLU  30           HB3      GLU  30   4.079  -1.234  -3.651
  233    HG2  GLU  30           HG2      GLU  30   5.081  -3.020  -5.125
  234    HG3  GLU  30           HG3      GLU  30   5.963  -1.745  -5.966
  235    H    CYS  31           H        CYS  31   1.292  -0.088  -4.432
  236    HA   CYS  31           HA       CYS  31   0.316  -2.481  -3.131
  237    HB2  CYS  31           HB2      CYS  31   0.237  -0.279  -2.006
  238    HB3  CYS  31           HB3      CYS  31  -0.876   0.302  -3.244
  239    H    CYS  32           H        CYS  32  -0.951  -0.197  -5.556
  240    HA   CYS  32           HA       CYS  32  -3.366  -1.515  -6.081
  241    HB2  CYS  32           HB2      CYS  32  -2.215   0.780  -6.969
  242    HB3  CYS  32           HB3      CYS  32  -2.045  -0.242  -8.396
  243    H    THR  33           H        THR  33  -0.259  -2.650  -6.573
  244    HA   THR  33           HA       THR  33  -1.264  -4.781  -8.313
  245    HB   THR  33           HB       THR  33   1.407  -3.836  -9.103
  246    HG1  THR  33           HG1      THR  33   0.028  -1.909  -8.685
  247   HG21  THR  33          HG21      THR  33   0.332  -4.177 -11.360
  248   HG22  THR  33          HG22      THR  33  -1.149  -4.632 -10.518
  249   HG23  THR  33          HG23      THR  33   0.311  -5.603 -10.323
  250    H    SER  34           H        SER  34   0.922  -6.226  -8.766
  251    HA   SER  34           HA       SER  34   2.215  -7.849  -7.772
  252    HB2  SER  34           HB2      SER  34   3.835  -6.066  -7.662
  253    HB3  SER  34           HB3      SER  34   3.073  -5.397  -6.223
  254    HG   SER  34           HG       SER  34   3.649  -8.015  -5.895
  255    H    GLU  35           H        GLU  35   0.758  -9.213  -6.803
  256    HA   GLU  35           HA       GLU  35  -0.765  -8.754  -4.525
  257    HB2  GLU  35           HB2      GLU  35  -1.084 -11.104  -4.408
  258    HB3  GLU  35           HB3      GLU  35  -0.860 -10.745  -6.121
  259    HG2  GLU  35           HG2      GLU  35   1.551 -11.330  -5.897
  260    HG3  GLU  35           HG3      GLU  35   1.263 -11.774  -4.216
  261    H    SER  36           H        SER  36   2.573  -9.885  -4.814
  262    HA   SER  36           HA       SER  36   3.061 -10.629  -2.173
  263    HB2  SER  36           HB2      SER  36   4.659 -10.972  -4.032
  264    HB3  SER  36           HB3      SER  36   4.968  -9.238  -4.071
  265    HG   SER  36           HG       SER  36   6.412  -9.698  -2.613
  266    H    THR  37           H        THR  37   3.105  -7.432  -3.681
  267    HA   THR  37           HA       THR  37   4.047  -6.076  -1.330
  268    HB   THR  37           HB       THR  37   2.631  -4.956  -3.761
  269    HG1  THR  37           HG1      THR  37   5.325  -5.531  -3.158
  270   HG21  THR  37          HG21      THR  37   2.918  -2.919  -2.840
  271   HG22  THR  37          HG22      THR  37   4.584  -3.284  -2.394
  272   HG23  THR  37          HG23      THR  37   3.263  -3.753  -1.325
  273    H    PHE  38           H        PHE  38   0.889  -6.619  -2.843
  274    HA   PHE  38           HA       PHE  38  -0.703  -4.982  -1.274
  275    HB2  PHE  38           HB2      PHE  38  -1.141  -6.967  -3.173
  276    HB3  PHE  38           HB3      PHE  38  -1.939  -7.583  -1.727
  277    HD1  PHE  38           HD2      PHE  38  -3.176  -5.567  -0.338
  278    HD2  PHE  38           HD1      PHE  38  -2.483  -5.685  -4.575
  279    HE1  PHE  38           HE2      PHE  38  -5.045  -3.975  -0.688
  280    HE2  PHE  38           HE1      PHE  38  -4.352  -4.093  -4.925
  281    HZ   PHE  38           HZ       PHE  38  -5.632  -3.238  -2.981
  282    H    LYS  39           H        LYS  39   0.823  -8.026  -0.484
  283    HA   LYS  39           HA       LYS  39  -0.612  -8.210   2.062
  284    HB2  LYS  39           HB2      LYS  39  -0.115 -10.233   0.604
  285    HB3  LYS  39           HB3      LYS  39   1.579 -10.029   1.055
  286    HG2  LYS  39           HG2      LYS  39   0.852 -11.512   2.698
  287    HG3  LYS  39           HG3      LYS  39   0.611  -9.963   3.505
  288    HD2  LYS  39           HD2      LYS  39  -1.764 -10.139   2.274
  289    HD3  LYS  39           HD3      LYS  39  -1.408 -11.862   2.406
  290    HE2  LYS  39           HE2      LYS  39  -1.948  -9.870   4.551
  291    HE3  LYS  39           HE3      LYS  39  -2.383 -11.577   4.466
  292    HZ1  LYS  39           HZ1      LYS  39   0.340 -11.584   4.529
  293    HZ2  LYS  39           HZ2      LYS  39  -0.688 -11.910   5.842
  294    HZ3  LYS  39           HZ3      LYS  39  -0.070 -10.344   5.611
  295    H    LYS  40           H        LYS  40   2.608  -7.565   0.775
  296    HA   LYS  40           HA       LYS  40   3.999  -7.517   3.240
  297    HB2  LYS  40           HB2      LYS  40   4.709  -7.293   0.599
  298    HB3  LYS  40           HB3      LYS  40   4.957  -5.647   1.185
  299    HG2  LYS  40           HG2      LYS  40   6.315  -6.541   3.063
  300    HG3  LYS  40           HG3      LYS  40   6.111  -8.169   2.413
  301    HD2  LYS  40           HD2      LYS  40   7.683  -7.843   0.819
  302    HD3  LYS  40           HD3      LYS  40   7.045  -6.251   0.404
  303    HE2  LYS  40           HE2      LYS  40   8.925  -6.940   2.675
  304    HE3  LYS  40           HE3      LYS  40   9.260  -5.912   1.281
  305    HZ1  LYS  40           HZ1      LYS  40   6.954  -4.981   2.598
  306    HZ2  LYS  40           HZ2      LYS  40   8.437  -4.187   2.365
  307    HZ3  LYS  40           HZ3      LYS  40   8.197  -5.159   3.738
  308    H    CYS  41           H        CYS  41   1.862  -5.273   1.706
  309    HA   CYS  41           HA       CYS  41   2.734  -2.896   3.006
  310    HB2  CYS  41           HB2      CYS  41   1.329  -2.832   1.002
  311    HB3  CYS  41           HB3      CYS  41   0.019  -3.623   1.879
  312    H    GLN  42           H        GLN  42  -0.196  -4.853   3.602
  313    HA   GLN  42           HA       GLN  42  -1.012  -3.678   5.962
  314    HB2  GLN  42           HB2      GLN  42  -1.823  -5.841   4.474
  315    HB3  GLN  42           HB3      GLN  42  -1.287  -6.601   5.973
  316    HG2  GLN  42           HG2      GLN  42  -3.247  -4.295   5.771
  317    HG3  GLN  42           HG3      GLN  42  -3.670  -5.973   6.104
  318   HE21  GLN  42          HE21      GLN  42  -1.318  -6.464   7.839
  319   HE22  GLN  42          HE22      GLN  42  -1.609  -5.616   9.280
  320    H    THR  43           H        THR  43   1.641  -5.880   5.424
  321    HA   THR  43           HA       THR  43   2.020  -6.455   8.241
  322    HB   THR  43           HB       THR  43   4.044  -6.971   6.075
  323    HG1  THR  43           HG1      THR  43   2.762  -8.375   5.212
  324   HG21  THR  43          HG21      THR  43   3.395  -8.973   8.136
  325   HG22  THR  43          HG22      THR  43   4.036  -7.459   8.772
  326   HG23  THR  43          HG23      THR  43   4.966  -8.383   7.594
  327    H    MET  44           H        MET  44   3.400  -4.324   5.796
  328    HA   MET  44           HA       MET  44   5.590  -3.432   7.409
  329    HB2  MET  44           HB2      MET  44   4.787  -3.129   4.743
  330    HB3  MET  44           HB3      MET  44   4.731  -1.503   5.422
  331    HG2  MET  44           HG2      MET  44   6.973  -1.959   4.544
  332    HG3  MET  44           HG3      MET  44   7.036  -1.814   6.300
  333    HE1  MET  44           HE1      MET  44   9.100  -2.615   6.370
  334    HE2  MET  44           HE2      MET  44   9.625  -3.550   4.972
  335    HE3  MET  44           HE3      MET  44   9.550  -4.315   6.556
  336    H    LEU  45           H        LEU  45   2.293  -2.923   7.629
  337    HA   LEU  45           HA       LEU  45   2.480  -0.188   8.640
  338    HB2  LEU  45           HB2      LEU  45   0.223  -2.084   8.058
  339    HB3  LEU  45           HB3      LEU  45  -0.043  -0.668   9.075
  340    HG   LEU  45           HG       LEU  45   1.243  -0.509   6.340
  341   HD11  LEU  45          HD11      LEU  45  -1.602   0.278   6.924
  342   HD12  LEU  45          HD12      LEU  45  -1.217  -1.387   6.487
  343   HD13  LEU  45          HD13      LEU  45  -0.846  -0.074   5.369
  344   HD21  LEU  45          HD21      LEU  45   1.603   1.628   6.964
  345   HD22  LEU  45          HD22      LEU  45   0.816   1.332   8.515
  346   HD23  LEU  45          HD23      LEU  45  -0.139   1.850   7.126
  347    H    HIS  46           H        HIS  46   1.650  -3.439   9.813
  348    HA   HIS  46           HA       HIS  46   1.268  -2.596  12.527
  349    HB2  HIS  46           HB2      HIS  46   1.431  -5.218  11.096
  350    HB3  HIS  46           HB3      HIS  46   1.598  -5.196  12.851
  351    HD1  HIS  46           HD1      HIS  46  -0.703  -6.170  13.409
  352    HD2  HIS  46           HD2      HIS  46  -0.918  -2.796  10.970
  353    HE1  HIS  46           HE1      HIS  46  -3.146  -5.507  13.317
  354    H    GLN  47           H        GLN  47   3.981  -3.602  10.597
  355    HA   GLN  47           HA       GLN  47   5.823  -2.852  12.689
  356    HB2  GLN  47           HB2      GLN  47   7.004  -5.067  12.671
  357    HB3  GLN  47           HB3      GLN  47   5.415  -5.110  13.436
  358    HG2  GLN  47           HG2      GLN  47   4.520  -5.791  11.114
  359    HG3  GLN  47           HG3      GLN  47   6.203  -6.120  10.704
  360   HE21  GLN  47          HE21      GLN  47   7.349  -7.756  12.106
  361   HE22  GLN  47          HE22      GLN  47   6.434  -8.969  12.863
  Start of MODEL   11
    1    H1   ALA   1           H1       ALA   1  -7.453   7.030 -14.141
    2    H2   ALA   1           H2       ALA   1  -8.536   5.933 -13.428
    3    H3   ALA   1           H3       ALA   1  -8.943   6.708 -14.885
    4    HA   ALA   1           HA       ALA   1  -7.764   5.300 -16.146
    5    HB1  ALA   1           HB1      ALA   1  -5.672   6.231 -14.967
    6    HB2  ALA   1           HB2      ALA   1  -5.547   4.608 -15.646
    7    HB3  ALA   1           HB3      ALA   1  -5.786   4.822 -13.912
    8    H    ASP   2           H        ASP   2  -8.686   4.697 -12.884
    9    HA   ASP   2           HA       ASP   2  -9.541   2.862 -11.806
   10    HB2  ASP   2           HB2      ASP   2 -10.152   1.936 -14.620
   11    HB3  ASP   2           HB3      ASP   2 -10.930   1.381 -13.139
   12    H    ASP   3           H        ASP   3  -6.762   2.788 -12.240
   13    HA   ASP   3           HA       ASP   3  -5.956   0.247 -13.299
   14    HB2  ASP   3           HB2      ASP   3  -4.426   2.189 -13.188
   15    HB3  ASP   3           HB3      ASP   3  -4.478   2.114 -11.428
   16    H    LYS   4           H        LYS   4  -7.946  -0.526 -11.789
   17    HA   LYS   4           HA       LYS   4  -8.546  -1.979 -10.119
   18    HB2  LYS   4           HB2      LYS   4  -5.590  -2.239  -9.541
   19    HB3  LYS   4           HB3      LYS   4  -6.867  -3.398  -9.171
   20    HG2  LYS   4           HG2      LYS   4  -6.858  -2.712 -11.996
   21    HG3  LYS   4           HG3      LYS   4  -5.294  -3.346 -11.487
   22    HD2  LYS   4           HD2      LYS   4  -6.331  -5.338 -10.572
   23    HD3  LYS   4           HD3      LYS   4  -7.942  -4.686 -10.874
   24    HE2  LYS   4           HE2      LYS   4  -7.827  -5.812 -12.840
   25    HE3  LYS   4           HE3      LYS   4  -6.765  -4.502 -13.359
   26    HZ1  LYS   4           HZ1      LYS   4  -5.192  -6.233 -11.895
   27    HZ2  LYS   4           HZ2      LYS   4  -5.177  -6.007 -13.579
   28    HZ3  LYS   4           HZ3      LYS   4  -6.142  -7.225 -12.891
   29    H    CYS   5           H        CYS   5  -7.169   0.945  -9.669
   30    HA   CYS   5           HA       CYS   5  -7.244   0.825  -6.727
   31    HB2  CYS   5           HB2      CYS   5  -6.334   3.186  -8.359
   32    HB3  CYS   5           HB3      CYS   5  -5.915   2.767  -6.698
   33    H    GLU   6           H        GLU   6  -7.903   3.566  -8.876
   34    HA   GLU   6           HA       GLU   6  -9.876   4.751  -7.377
   35    HB2  GLU   6           HB2      GLU   6  -9.402   4.690 -10.349
   36    HB3  GLU   6           HB3      GLU   6 -10.747   5.600  -9.659
   37    HG2  GLU   6           HG2      GLU   6  -7.971   5.935  -8.548
   38    HG3  GLU   6           HG3      GLU   6  -8.453   6.807 -10.002
   39    H    ASP   7           H        ASP   7 -10.076   1.850  -9.232
   40    HA   ASP   7           HA       ASP   7 -12.868   1.776  -9.694
   41    HB2  ASP   7           HB2      ASP   7 -10.780   0.208 -10.432
   42    HB3  ASP   7           HB3      ASP   7 -11.501  -0.791  -9.171
   43    H    SER   8           H        SER   8 -10.848   0.816  -6.970
   44    HA   SER   8           HA       SER   8 -13.308   0.307  -5.405
   45    HB2  SER   8           HB2      SER   8 -11.663  -1.169  -4.010
   46    HB3  SER   8           HB3      SER   8 -12.342  -1.812  -5.501
   47    HG   SER   8           HG       SER   8  -9.757  -0.952  -4.914
   48    H    LEU   9           H        LEU   9 -13.598   1.804  -3.892
   49    HA   LEU   9           HA       LEU   9 -11.652   3.740  -3.196
   50    HB2  LEU   9           HB2      LEU   9 -14.419   3.133  -2.510
   51    HB3  LEU   9           HB3      LEU   9 -13.508   3.745  -1.129
   52    HG   LEU   9           HG       LEU   9 -14.564   5.565  -2.483
   53   HD11  LEU   9          HD11      LEU   9 -12.792   6.968  -2.098
   54   HD12  LEU   9          HD12      LEU   9 -11.649   5.926  -2.945
   55   HD13  LEU   9          HD13      LEU   9 -12.138   5.540  -1.295
   56   HD21  LEU   9          HD21      LEU   9 -14.443   5.487  -4.731
   57   HD22  LEU   9          HD22      LEU   9 -13.468   4.021  -4.624
   58   HD23  LEU   9          HD23      LEU   9 -12.684   5.600  -4.647
   59    H    ARG  10           H        ARG  10 -13.063   1.116  -1.221
   60    HA   ARG  10           HA       ARG  10 -11.674   1.296   1.086
   61    HB2  ARG  10           HB2      ARG  10 -11.475  -1.446   0.339
   62    HB3  ARG  10           HB3      ARG  10 -12.665  -0.688   1.398
   63    HG2  ARG  10           HG2      ARG  10 -14.137  -0.225  -0.433
   64    HG3  ARG  10           HG3      ARG  10 -12.899  -0.642  -1.619
   65    HD2  ARG  10           HD2      ARG  10 -13.860  -2.692  -1.630
   66    HD3  ARG  10           HD3      ARG  10 -13.030  -2.931  -0.096
   67    HE   ARG  10           HE       ARG  10 -15.325  -1.747   0.690
   68   HH11  ARG  10          HH21      ARG  10 -14.619  -4.343  -1.483
   69   HH12  ARG  10          HH22      ARG  10 -16.106  -5.180  -1.188
   70   HH21  ARG  10          HH11      ARG  10 -17.279  -2.839   1.086
   71   HH22  ARG  10          HH12      ARG  10 -17.613  -4.329   0.268
   72    H    ARG  11           H        ARG  11 -10.422  -0.166  -1.904
   73    HA   ARG  11           HA       ARG  11  -7.906  -0.930  -0.919
   74    HB2  ARG  11           HB2      ARG  11  -9.081  -1.404  -3.217
   75    HB3  ARG  11           HB3      ARG  11  -8.238   0.056  -3.733
   76    HG2  ARG  11           HG2      ARG  11  -6.109  -0.883  -3.329
   77    HG3  ARG  11           HG3      ARG  11  -6.770  -2.164  -2.311
   78    HD2  ARG  11           HD2      ARG  11  -7.796  -2.077  -5.089
   79    HD3  ARG  11           HD3      ARG  11  -6.101  -2.524  -4.917
   80    HE   ARG  11           HE       ARG  11  -8.405  -4.060  -4.006
   81   HH11  ARG  11          HH21      ARG  11  -4.992  -3.493  -3.892
   82   HH12  ARG  11          HH22      ARG  11  -4.608  -5.083  -3.325
   83   HH21  ARG  11          HH11      ARG  11  -7.907  -6.147  -3.262
   84   HH22  ARG  11          HH12      ARG  11  -6.258  -6.586  -2.969
   85    H    GLU  12           H        GLU  12  -8.992   2.107  -2.401
   86    HA   GLU  12           HA       GLU  12  -6.484   3.391  -2.481
   87    HB2  GLU  12           HB2      GLU  12  -9.082   4.036  -3.210
   88    HB3  GLU  12           HB3      GLU  12  -8.719   5.185  -1.922
   89    HG2  GLU  12           HG2      GLU  12  -7.883   6.304  -3.790
   90    HG3  GLU  12           HG3      GLU  12  -6.443   5.475  -3.200
   91    H    ILE  13           H        ILE  13  -8.885   3.045   0.065
   92    HA   ILE  13           HA       ILE  13  -7.750   4.949   1.855
   93    HB   ILE  13           HB       ILE  13  -9.413   2.533   2.587
   94   HG12  ILE  13          HG12      ILE  13 -10.142   5.166   1.316
   95   HG13  ILE  13          HG13      ILE  13 -10.718   3.548   0.916
   96   HG21  ILE  13          HG21      ILE  13  -9.353   5.287   3.835
   97   HG22  ILE  13          HG22      ILE  13  -8.275   3.996   4.364
   98   HG23  ILE  13          HG23      ILE  13 -10.022   3.800   4.509
   99   HD11  ILE  13          HD11      ILE  13 -11.492   5.290   3.252
  100   HD12  ILE  13          HD12      ILE  13 -11.735   3.544   3.300
  101   HD13  ILE  13          HD13      ILE  13 -12.538   4.513   2.065
  102    H    ALA  14           H        ALA  14  -7.077   1.609   1.117
  103    HA   ALA  14           HA       ALA  14  -5.382   1.286   3.477
  104    HB1  ALA  14           HB1      ALA  14  -4.970  -0.946   1.952
  105    HB2  ALA  14           HB2      ALA  14  -6.606  -0.491   1.475
  106    HB3  ALA  14           HB3      ALA  14  -6.232  -0.789   3.174
  107    H    CYS  15           H        CYS  15  -5.095   1.502  -0.049
  108    HA   CYS  15           HA       CYS  15  -2.250   1.155  -0.074
  109    HB2  CYS  15           HB2      CYS  15  -4.176   2.241  -2.138
  110    HB3  CYS  15           HB3      CYS  15  -2.454   1.999  -2.431
  111    H    THR  16           H        THR  16  -4.310   3.746   0.715
  112    HA   THR  16           HA       THR  16  -2.587   5.902  -0.082
  113    HB   THR  16           HB       THR  16  -4.997   5.679   1.708
  114    HG1  THR  16           HG1      THR  16  -4.490   6.230  -0.849
  115   HG21  THR  16          HG21      THR  16  -2.948   7.828   1.583
  116   HG22  THR  16          HG22      THR  16  -4.034   7.383   2.899
  117   HG23  THR  16          HG23      THR  16  -4.634   8.346   1.549
  118    H    LYS  17           H        LYS  17  -2.955   3.882   2.746
  119    HA   LYS  17           HA       LYS  17  -1.264   5.521   4.426
  120    HB2  LYS  17           HB2      LYS  17  -2.354   2.717   4.756
  121    HB3  LYS  17           HB3      LYS  17  -1.423   3.572   5.984
  122    HG2  LYS  17           HG2      LYS  17  -3.614   5.191   4.924
  123    HG3  LYS  17           HG3      LYS  17  -4.182   3.695   5.666
  124    HD2  LYS  17           HD2      LYS  17  -2.671   4.263   7.647
  125    HD3  LYS  17           HD3      LYS  17  -2.496   5.866   6.929
  126    HE2  LYS  17           HE2      LYS  17  -4.817   6.330   7.142
  127    HE3  LYS  17           HE3      LYS  17  -5.206   4.638   7.449
  128    HZ1  LYS  17           HZ1      LYS  17  -3.538   6.315   9.240
  129    HZ2  LYS  17           HZ2      LYS  17  -4.104   4.742   9.547
  130    HZ3  LYS  17           HZ3      LYS  17  -5.197   6.041   9.466
  131    H    CYS  18           H        CYS  18  -0.860   2.956   2.139
  132    HA   CYS  18           HA       CYS  18   1.663   1.998   3.089
  133    HB2  CYS  18           HB2      CYS  18   0.001   1.636   0.646
  134    HB3  CYS  18           HB3      CYS  18   1.722   1.277   0.513
  135    H    ARG  19           H        ARG  19   0.648   4.564   0.912
  136    HA   ARG  19           HA       ARG  19   3.359   5.056  -0.009
  137    HB2  ARG  19           HB2      ARG  19   2.433   6.460  -1.565
  138    HB3  ARG  19           HB3      ARG  19   1.016   5.471  -1.222
  139    HG2  ARG  19           HG2      ARG  19   0.348   7.159   0.524
  140    HG3  ARG  19           HG3      ARG  19   1.677   8.178  -0.030
  141    HD2  ARG  19           HD2      ARG  19   0.392   7.498  -2.386
  142    HD3  ARG  19           HD3      ARG  19  -0.942   7.707  -1.254
  143    HE   ARG  19           HE       ARG  19  -0.430   9.984  -1.136
  144   HH11  ARG  19          HH21      ARG  19   2.057   8.188  -2.736
  145   HH12  ARG  19          HH22      ARG  19   2.900   9.590  -3.300
  146   HH21  ARG  19          HH11      ARG  19   0.670  11.829  -1.873
  147   HH22  ARG  19          HH12      ARG  19   2.114  11.653  -2.812
  148    H    ASP  20           H        ASP  20   0.991   6.600   2.136
  149    HA   ASP  20           HA       ASP  20   2.585   8.860   2.776
  150    HB2  ASP  20           HB2      ASP  20   0.205   7.525   4.020
  151    HB3  ASP  20           HB3      ASP  20   1.055   8.791   4.902
  152    H    ARG  21           H        ARG  21   2.794   5.573   3.651
  153    HA   ARG  21           HA       ARG  21   4.028   5.907   6.220
  154    HB2  ARG  21           HB2      ARG  21   3.178   3.726   4.542
  155    HB3  ARG  21           HB3      ARG  21   4.825   3.436   5.101
  156    HG2  ARG  21           HG2      ARG  21   2.630   4.322   6.981
  157    HG3  ARG  21           HG3      ARG  21   2.938   2.619   6.637
  158    HD2  ARG  21           HD2      ARG  21   5.394   4.072   7.243
  159    HD3  ARG  21           HD3      ARG  21   4.231   4.162   8.563
  160    HE   ARG  21           HE       ARG  21   4.685   1.505   7.444
  161   HH11  ARG  21          HH21      ARG  21   5.418   3.881   9.851
  162   HH12  ARG  21          HH22      ARG  21   6.048   2.735  10.987
  163   HH21  ARG  21          HH11      ARG  21   5.510  -0.003   8.928
  164   HH22  ARG  21          HH12      ARG  21   6.101   0.536  10.464
  165    H    VAL  22           H        VAL  22   5.218   5.298   2.927
  166    HA   VAL  22           HA       VAL  22   7.973   5.740   3.875
  167    HB   VAL  22           HB       VAL  22   7.047   4.734   1.176
  168   HG11  VAL  22          HG11      VAL  22   9.220   5.141   0.693
  169   HG12  VAL  22          HG12      VAL  22   9.588   3.779   1.751
  170   HG13  VAL  22          HG13      VAL  22   9.624   5.424   2.386
  171   HG21  VAL  22          HG21      VAL  22   7.225   3.427   3.786
  172   HG22  VAL  22          HG22      VAL  22   8.246   2.646   2.579
  173   HG23  VAL  22          HG23      VAL  22   6.517   2.833   2.285
  174    H    ARG  23           H        ARG  23   5.409   7.331   2.362
  175    HA   ARG  23           HA       ARG  23   5.216   9.361   1.306
  176    HB2  ARG  23           HB2      ARG  23   8.044   9.969   2.133
  177    HB3  ARG  23           HB3      ARG  23   6.673  11.069   1.990
  178    HG2  ARG  23           HG2      ARG  23   5.614  10.129   3.937
  179    HG3  ARG  23           HG3      ARG  23   6.789   8.815   4.009
  180    HD2  ARG  23           HD2      ARG  23   7.657  10.270   5.600
  181    HD3  ARG  23           HD3      ARG  23   8.535  10.779   4.162
  182    HE   ARG  23           HE       ARG  23   6.345  12.237   5.467
  183   HH11  ARG  23          HH21      ARG  23   8.646  11.912   2.901
  184   HH12  ARG  23          HH22      ARG  23   8.543  13.571   2.414
  185   HH21  ARG  23          HH11      ARG  23   6.205  14.412   4.832
  186   HH22  ARG  23          HH12      ARG  23   7.160  14.986   3.507
  187    H    THR  24           H        THR  24   5.846   7.302  -0.375
  188    HA   THR  24           HA       THR  24   7.538   8.666  -2.364
  189    HB   THR  24           HB       THR  24   7.798   5.834  -1.387
  190    HG1  THR  24           HG1      THR  24   9.591   7.939  -2.010
  191   HG21  THR  24          HG21      THR  24   7.608   5.421  -3.691
  192   HG22  THR  24          HG22      THR  24   9.344   5.634  -3.470
  193   HG23  THR  24          HG23      THR  24   8.369   6.952  -4.123
  194    H    ASP  25           H        ASP  25   6.314   9.045  -4.085
  195    HA   ASP  25           HA       ASP  25   3.778   8.024  -4.579
  196    HB2  ASP  25           HB2      ASP  25   5.856   9.327  -6.300
  197    HB3  ASP  25           HB3      ASP  25   4.400   8.670  -7.048
  198    H    ASP  26           H        ASP  26   6.772   6.452  -4.886
  199    HA   ASP  26           HA       ASP  26   5.926   4.605  -6.965
  200    HB2  ASP  26           HB2      ASP  26   8.384   5.474  -6.109
  201    HB3  ASP  26           HB3      ASP  26   8.276   3.883  -5.359
  202    H    TYR  27           H        TYR  27   5.988   4.781  -3.489
  203    HA   TYR  27           HA       TYR  27   5.635   1.947  -3.077
  204    HB2  TYR  27           HB2      TYR  27   5.890   4.355  -1.398
  205    HB3  TYR  27           HB3      TYR  27   4.836   3.104  -0.738
  206    HD1  TYR  27           HD2      TYR  27   8.243   3.728  -2.112
  207    HD2  TYR  27           HD1      TYR  27   5.722   1.082   0.145
  208    HE1  TYR  27           HE2      TYR  27  10.229   2.394  -1.457
  209    HE2  TYR  27           HE1      TYR  27   7.707  -0.253   0.799
  210    HH   TYR  27           HH       TYR  27   9.901  -0.639   0.314
  211    H    PHE  28           H        PHE  28   3.616   4.388  -4.167
  212    HA   PHE  28           HA       PHE  28   1.190   3.503  -2.876
  213    HB2  PHE  28           HB2      PHE  28   1.334   5.824  -3.493
  214    HB3  PHE  28           HB3      PHE  28   1.739   5.409  -5.160
  215    HD1  PHE  28           HD2      PHE  28  -0.904   4.755  -2.589
  216    HD2  PHE  28           HD1      PHE  28   0.032   5.327  -6.738
  217    HE1  PHE  28           HE2      PHE  28  -3.312   4.641  -3.146
  218    HE2  PHE  28           HE1      PHE  28  -2.374   5.213  -7.298
  219    HZ   PHE  28           HZ       PHE  28  -4.055   4.870  -5.503
  220    H    TYR  29           H        TYR  29   2.228   3.596  -6.298
  221    HA   TYR  29           HA       TYR  29   0.245   1.921  -7.307
  222    HB2  TYR  29           HB2      TYR  29   3.011   2.646  -8.188
  223    HB3  TYR  29           HB3      TYR  29   2.171   1.337  -9.020
  224    HD1  TYR  29           HD1      TYR  29   1.883   4.914  -8.015
  225    HD2  TYR  29           HD2      TYR  29   0.414   1.776 -10.555
  226    HE1  TYR  29           HE1      TYR  29   0.555   6.571  -9.293
  227    HE2  TYR  29           HE2      TYR  29  -0.914   3.434 -11.834
  228    HH   TYR  29           HH       TYR  29  -1.877   5.659 -11.512
  229    H    GLU  30           H        GLU  30   3.151   1.184  -5.540
  230    HA   GLU  30           HA       GLU  30   3.467  -1.533  -6.177
  231    HB2  GLU  30           HB2      GLU  30   5.088  -0.128  -4.879
  232    HB3  GLU  30           HB3      GLU  30   3.995  -0.229  -3.498
  233    HG2  GLU  30           HG2      GLU  30   4.212  -2.640  -3.426
  234    HG3  GLU  30           HG3      GLU  30   5.145  -2.644  -4.921
  235    H    CYS  31           H        CYS  31   1.248   0.122  -4.042
  236    HA   CYS  31           HA       CYS  31   0.364  -2.225  -2.644
  237    HB2  CYS  31           HB2      CYS  31   0.145   0.010  -1.653
  238    HB3  CYS  31           HB3      CYS  31  -0.940   0.491  -2.958
  239    H    CYS  32           H        CYS  32  -0.768  -0.373  -5.437
  240    HA   CYS  32           HA       CYS  32  -3.197  -1.845  -5.766
  241    HB2  CYS  32           HB2      CYS  32  -1.697   0.208  -7.289
  242    HB3  CYS  32           HB3      CYS  32  -2.780  -0.823  -8.223
  243    H    THR  33           H        THR  33   0.036  -2.652  -6.351
  244    HA   THR  33           HA       THR  33  -0.114  -4.139  -8.728
  245    HB   THR  33           HB       THR  33   1.582  -5.056  -6.433
  246    HG1  THR  33           HG1      THR  33   2.260  -2.861  -8.059
  247   HG21  THR  33          HG21      THR  33   1.431  -5.828  -9.023
  248   HG22  THR  33          HG22      THR  33   2.921  -5.899  -8.082
  249   HG23  THR  33          HG23      THR  33   2.622  -4.535  -9.160
  250    H    SER  34           H        SER  34   0.848  -6.704  -7.683
  251    HA   SER  34           HA       SER  34  -1.698  -8.032  -7.504
  252    HB2  SER  34           HB2      SER  34  -0.279  -9.417  -8.633
  253    HB3  SER  34           HB3      SER  34   1.144  -8.831  -7.777
  254    HG   SER  34           HG       SER  34  -0.807 -10.700  -6.941
  255    H    GLU  35           H        GLU  35  -1.470 -10.069  -5.811
  256    HA   GLU  35           HA       GLU  35  -1.898  -8.846  -3.248
  257    HB2  GLU  35           HB2      GLU  35  -1.707 -11.802  -3.838
  258    HB3  GLU  35           HB3      GLU  35  -2.572 -11.016  -2.517
  259    HG2  GLU  35           HG2      GLU  35  -4.154 -10.024  -4.055
  260    HG3  GLU  35           HG3      GLU  35  -3.224 -10.585  -5.444
  261    H    SER  36           H        SER  36   0.654 -10.759  -4.739
  262    HA   SER  36           HA       SER  36   2.143 -11.533  -2.543
  263    HB2  SER  36           HB2      SER  36   3.340 -10.444  -5.094
  264    HB3  SER  36           HB3      SER  36   4.042 -11.633  -4.000
  265    HG   SER  36           HG       SER  36   2.781 -12.277  -6.046
  266    H    THR  37           H        THR  37   2.192  -8.406  -4.227
  267    HA   THR  37           HA       THR  37   4.175  -7.295  -2.452
  268    HB   THR  37           HB       THR  37   3.019  -5.148  -3.699
  269    HG1  THR  37           HG1      THR  37   1.733  -6.991  -4.735
  270   HG21  THR  37          HG21      THR  37   4.824  -5.669  -5.495
  271   HG22  THR  37          HG22      THR  37   5.200  -7.067  -4.488
  272   HG23  THR  37          HG23      THR  37   5.349  -5.439  -3.826
  273    H    PHE  38           H        PHE  38   0.674  -7.339  -2.668
  274    HA   PHE  38           HA       PHE  38   0.091  -5.218  -0.913
  275    HB2  PHE  38           HB2      PHE  38  -1.423  -6.867  -2.415
  276    HB3  PHE  38           HB3      PHE  38  -1.674  -7.598  -0.829
  277    HD1  PHE  38           HD1      PHE  38  -2.461  -6.140   1.091
  278    HD2  PHE  38           HD2      PHE  38  -2.440  -4.796  -2.989
  279    HE1  PHE  38           HE1      PHE  38  -4.033  -4.316   1.684
  280    HE2  PHE  38           HE2      PHE  38  -4.012  -2.973  -2.396
  281    HZ   PHE  38           HZ       PHE  38  -4.809  -2.733  -0.060
  282    H    LYS  39           H        LYS  39   0.973  -8.574  -0.331
  283    HA   LYS  39           HA       LYS  39   0.292  -8.652   2.428
  284    HB2  LYS  39           HB2      LYS  39   0.787 -10.628   0.878
  285    HB3  LYS  39           HB3      LYS  39   2.493 -10.261   1.136
  286    HG2  LYS  39           HG2      LYS  39   1.946 -10.331   3.653
  287    HG3  LYS  39           HG3      LYS  39   0.434 -11.106   3.179
  288    HD2  LYS  39           HD2      LYS  39   3.038 -12.156   2.105
  289    HD3  LYS  39           HD3      LYS  39   2.525 -12.595   3.735
  290    HE2  LYS  39           HE2      LYS  39   0.940 -13.024   1.186
  291    HE3  LYS  39           HE3      LYS  39   1.726 -14.275   2.149
  292    HZ1  LYS  39           HZ1      LYS  39  -0.513 -14.271   2.801
  293    HZ2  LYS  39           HZ2      LYS  39  -0.579 -12.576   2.896
  294    HZ3  LYS  39           HZ3      LYS  39   0.308 -13.459   4.044
  295    H    LYS  40           H        LYS  40   3.295  -7.895   0.696
  296    HA   LYS  40           HA       LYS  40   5.004  -7.639   2.894
  297    HB2  LYS  40           HB2      LYS  40   5.556  -7.555   0.380
  298    HB3  LYS  40           HB3      LYS  40   5.159  -5.839   0.484
  299    HG2  LYS  40           HG2      LYS  40   6.818  -5.588   2.318
  300    HG3  LYS  40           HG3      LYS  40   7.249  -7.288   2.136
  301    HD2  LYS  40           HD2      LYS  40   7.288  -5.702  -0.364
  302    HD3  LYS  40           HD3      LYS  40   8.518  -5.270   0.824
  303    HE2  LYS  40           HE2      LYS  40   8.022  -8.148   0.073
  304    HE3  LYS  40           HE3      LYS  40   9.105  -7.129  -0.875
  305    HZ1  LYS  40           HZ1      LYS  40  10.675  -7.431   0.633
  306    HZ2  LYS  40           HZ2      LYS  40   9.644  -8.447   1.523
  307    HZ3  LYS  40           HZ3      LYS  40   9.685  -6.780   1.847
  308    H    CYS  41           H        CYS  41   2.821  -5.277   1.400
  309    HA   CYS  41           HA       CYS  41   3.599  -3.063   2.988
  310    HB2  CYS  41           HB2      CYS  41   1.855  -3.484   0.868
  311    HB3  CYS  41           HB3      CYS  41   0.793  -3.037   2.204
  312    H    GLN  42           H        GLN  42   1.041  -5.496   3.354
  313    HA   GLN  42           HA       GLN  42  -0.259  -4.466   5.589
  314    HB2  GLN  42           HB2      GLN  42  -0.911  -6.499   4.212
  315    HB3  GLN  42           HB3      GLN  42   0.279  -7.406   5.148
  316    HG2  GLN  42           HG2      GLN  42  -1.258  -5.930   7.018
  317    HG3  GLN  42           HG3      GLN  42  -2.402  -6.657   5.892
  318   HE21  GLN  42          HE21      GLN  42  -3.150  -8.338   7.308
  319   HE22  GLN  42          HE22      GLN  42  -2.139  -9.588   7.853
  320    H    THR  43           H        THR  43   2.817  -6.100   5.321
  321    HA   THR  43           HA       THR  43   3.107  -6.587   8.148
  322    HB   THR  43           HB       THR  43   5.224  -6.570   5.985
  323    HG1  THR  43           HG1      THR  43   3.175  -8.265   6.562
  324   HG21  THR  43          HG21      THR  43   6.667  -7.304   7.562
  325   HG22  THR  43          HG22      THR  43   5.472  -8.397   8.261
  326   HG23  THR  43          HG23      THR  43   5.496  -6.697   8.735
  327    H    MET  44           H        MET  44   3.881  -4.026   5.910
  328    HA   MET  44           HA       MET  44   5.653  -2.651   7.746
  329    HB2  MET  44           HB2      MET  44   4.586  -2.137   4.998
  330    HB3  MET  44           HB3      MET  44   5.225  -0.782   5.928
  331    HG2  MET  44           HG2      MET  44   6.843  -3.292   5.841
  332    HG3  MET  44           HG3      MET  44   6.815  -2.281   4.397
  333    HE1  MET  44           HE1      MET  44   9.635  -2.614   5.566
  334    HE2  MET  44           HE2      MET  44  10.096  -0.920   5.425
  335    HE3  MET  44           HE3      MET  44   9.039  -1.641   4.214
  336    H    LEU  45           H        LEU  45   2.362  -2.189   6.477
  337    HA   LEU  45           HA       LEU  45   1.693   0.199   7.696
  338    HB2  LEU  45           HB2      LEU  45  -0.033  -2.244   7.240
  339    HB3  LEU  45           HB3      LEU  45  -0.655  -0.652   7.677
  340    HG   LEU  45           HG       LEU  45   1.030  -1.241   5.224
  341   HD11  LEU  45          HD11      LEU  45  -1.823  -1.482   5.752
  342   HD12  LEU  45          HD12      LEU  45  -0.909  -1.962   4.323
  343   HD13  LEU  45          HD13      LEU  45  -1.502  -0.307   4.475
  344   HD21  LEU  45          HD21      LEU  45  -0.114   1.228   6.476
  345   HD22  LEU  45          HD22      LEU  45  -0.073   1.128   4.715
  346   HD23  LEU  45          HD23      LEU  45   1.424   1.007   5.641
  347    H    HIS  46           H        HIS  46   1.885  -3.022   9.098
  348    HA   HIS  46           HA       HIS  46   1.065  -1.916  11.711
  349    HB2  HIS  46           HB2      HIS  46  -0.053  -4.011  10.620
  350    HB3  HIS  46           HB3      HIS  46   1.401  -4.847  11.165
  351    HD1  HIS  46           HD1      HIS  46   1.950  -4.536  13.818
  352    HD2  HIS  46           HD2      HIS  46  -1.941  -3.642  12.620
  353    HE1  HIS  46           HE1      HIS  46   0.539  -4.524  15.922
  354    H    GLN  47           H        GLN  47   3.165  -4.631  10.760
  355    HA   GLN  47           HA       GLN  47   5.318  -5.172  11.355
  356    HB2  GLN  47           HB2      GLN  47   5.653  -2.724  10.579
  357    HB3  GLN  47           HB3      GLN  47   5.733  -2.346  12.301
  358    HG2  GLN  47           HG2      GLN  47   7.917  -2.904  12.188
  359    HG3  GLN  47           HG3      GLN  47   7.374  -4.575  12.050
  360   HE21  GLN  47          HE21      GLN  47   6.769  -5.210   9.652
  361   HE22  GLN  47          HE22      GLN  47   7.816  -4.626   8.450
  Start of MODEL   12
    1    H1   ALA   1           H1       ALA   1  -7.951   3.622 -15.238
    2    H2   ALA   1           H2       ALA   1  -7.689   3.009 -13.675
    3    H3   ALA   1           H3       ALA   1  -7.351   4.638 -14.019
    4    HA   ALA   1           HA       ALA   1  -9.356   5.004 -13.112
    5    HB1  ALA   1           HB1      ALA   1  -9.497   5.326 -15.673
    6    HB2  ALA   1           HB2      ALA   1 -11.016   5.237 -14.782
    7    HB3  ALA   1           HB3      ALA   1 -10.435   3.832 -15.676
    8    H    ASP   2           H        ASP   2 -10.672   4.075 -11.668
    9    HA   ASP   2           HA       ASP   2 -11.283   2.221 -10.338
   10    HB2  ASP   2           HB2      ASP   2 -13.046   1.751 -12.734
   11    HB3  ASP   2           HB3      ASP   2 -13.442   1.568 -11.026
   12    H    ASP   3           H        ASP   3  -8.972   1.487 -11.819
   13    HA   ASP   3           HA       ASP   3  -9.452  -1.044 -13.119
   14    HB2  ASP   3           HB2      ASP   3  -7.064   0.611 -12.443
   15    HB3  ASP   3           HB3      ASP   3  -6.822  -1.109 -12.744
   16    H    LYS   4           H        LYS   4  -7.940  -0.023 -10.061
   17    HA   LYS   4           HA       LYS   4  -8.884  -2.423  -8.742
   18    HB2  LYS   4           HB2      LYS   4  -6.457  -2.661  -9.978
   19    HB3  LYS   4           HB3      LYS   4  -5.980  -2.115  -8.369
   20    HG2  LYS   4           HG2      LYS   4  -7.584  -3.912  -7.468
   21    HG3  LYS   4           HG3      LYS   4  -7.588  -4.562  -9.107
   22    HD2  LYS   4           HD2      LYS   4  -5.111  -4.724  -9.029
   23    HD3  LYS   4           HD3      LYS   4  -5.141  -4.136  -7.366
   24    HE2  LYS   4           HE2      LYS   4  -5.196  -6.375  -6.887
   25    HE3  LYS   4           HE3      LYS   4  -6.925  -6.157  -7.161
   26    HZ1  LYS   4           HZ1      LYS   4  -5.595  -7.996  -8.422
   27    HZ2  LYS   4           HZ2      LYS   4  -5.192  -6.712  -9.460
   28    HZ3  LYS   4           HZ3      LYS   4  -6.822  -7.126  -9.208
   29    H    CYS   5           H        CYS   5  -7.770   0.764  -8.793
   30    HA   CYS   5           HA       CYS   5  -7.718   0.883  -5.839
   31    HB2  CYS   5           HB2      CYS   5  -6.254   2.408  -7.956
   32    HB3  CYS   5           HB3      CYS   5  -6.629   3.215  -6.434
   33    H    GLU   6           H        GLU   6  -8.580   2.897  -8.667
   34    HA   GLU   6           HA       GLU   6 -10.343   4.586  -7.204
   35    HB2  GLU   6           HB2      GLU   6  -9.923   4.042 -10.137
   36    HB3  GLU   6           HB3      GLU   6 -11.207   5.115  -9.578
   37    HG2  GLU   6           HG2      GLU   6  -9.465   6.394  -8.281
   38    HG3  GLU   6           HG3      GLU   6  -8.236   5.409  -9.071
   39    H    ASP   7           H        ASP   7 -10.600   1.386  -7.983
   40    HA   ASP   7           HA       ASP   7 -13.485   1.384  -8.467
   41    HB2  ASP   7           HB2      ASP   7 -11.797  -0.165  -9.632
   42    HB3  ASP   7           HB3      ASP   7 -11.723  -1.034  -8.100
   43    H    SER   8           H        SER   8 -11.179  -0.003  -6.124
   44    HA   SER   8           HA       SER   8 -13.398  -0.265  -4.193
   45    HB2  SER   8           HB2      SER   8 -11.357  -1.609  -3.034
   46    HB3  SER   8           HB3      SER   8 -12.512  -2.359  -4.132
   47    HG   SER   8           HG       SER   8  -9.914  -1.377  -4.671
   48    H    LEU   9           H        LEU   9 -13.500   1.178  -2.606
   49    HA   LEU   9           HA       LEU   9 -11.521   3.187  -2.231
   50    HB2  LEU   9           HB2      LEU   9 -14.156   2.986  -1.611
   51    HB3  LEU   9           HB3      LEU   9 -13.429   2.706  -0.028
   52    HG   LEU   9           HG       LEU   9 -11.936   4.780  -0.679
   53   HD11  LEU   9          HD11      LEU   9 -12.679   5.081  -2.945
   54   HD12  LEU   9          HD12      LEU   9 -13.360   6.410  -2.007
   55   HD13  LEU   9          HD13      LEU   9 -14.374   5.040  -2.457
   56   HD21  LEU   9          HD21      LEU   9 -13.428   4.809   1.224
   57   HD22  LEU   9          HD22      LEU   9 -14.843   4.911   0.176
   58   HD23  LEU   9          HD23      LEU   9 -13.731   6.274   0.292
   59    H    ARG  10           H        ARG  10 -12.525   0.417  -0.225
   60    HA   ARG  10           HA       ARG  10 -10.867   0.721   1.941
   61    HB2  ARG  10           HB2      ARG  10 -11.816  -1.740   0.494
   62    HB3  ARG  10           HB3      ARG  10 -10.795  -1.861   1.927
   63    HG2  ARG  10           HG2      ARG  10 -12.439  -1.100   3.334
   64    HG3  ARG  10           HG3      ARG  10 -13.127  -0.026   2.116
   65    HD2  ARG  10           HD2      ARG  10 -14.728  -1.774   2.456
   66    HD3  ARG  10           HD3      ARG  10 -13.951  -2.100   0.910
   67    HE   ARG  10           HE       ARG  10 -13.200  -4.082   1.824
   68   HH11  ARG  10          HH21      ARG  10 -13.805  -1.761   4.318
   69   HH12  ARG  10          HH22      ARG  10 -13.431  -2.849   5.612
   70   HH21  ARG  10          HH11      ARG  10 -12.707  -5.515   3.515
   71   HH22  ARG  10          HH12      ARG  10 -12.809  -4.975   5.158
   72    H    ARG  11           H        ARG  11  -9.983  -0.116  -1.315
   73    HA   ARG  11           HA       ARG  11  -7.390  -1.177  -0.662
   74    HB2  ARG  11           HB2      ARG  11  -8.996  -1.167  -2.920
   75    HB3  ARG  11           HB3      ARG  11  -7.674  -0.084  -3.355
   76    HG2  ARG  11           HG2      ARG  11  -6.864  -2.214  -3.962
   77    HG3  ARG  11           HG3      ARG  11  -6.123  -1.924  -2.388
   78    HD2  ARG  11           HD2      ARG  11  -7.042  -4.178  -2.426
   79    HD3  ARG  11           HD3      ARG  11  -7.989  -3.188  -1.320
   80    HE   ARG  11           HE       ARG  11  -9.366  -2.945  -3.640
   81   HH11  ARG  11          HH21      ARG  11  -8.052  -5.635  -1.905
   82   HH12  ARG  11          HH22      ARG  11  -9.272  -6.747  -2.430
   83   HH21  ARG  11          HH11      ARG  11 -10.971  -4.397  -4.333
   84   HH22  ARG  11          HH12      ARG  11 -10.926  -6.046  -3.804
   85    H    GLU  12           H        GLU  12  -8.666   1.960  -1.675
   86    HA   GLU  12           HA       GLU  12  -6.192   3.259  -2.081
   87    HB2  GLU  12           HB2      GLU  12  -8.513   4.080  -2.745
   88    HB3  GLU  12           HB3      GLU  12  -8.702   4.596  -1.069
   89    HG2  GLU  12           HG2      GLU  12  -6.198   5.569  -1.736
   90    HG3  GLU  12           HG3      GLU  12  -7.120   5.803  -3.220
   91    H    ILE  13           H        ILE  13  -8.381   3.363   0.740
   92    HA   ILE  13           HA       ILE  13  -6.843   4.878   2.454
   93    HB   ILE  13           HB       ILE  13  -8.608   2.499   3.073
   94   HG12  ILE  13          HG12      ILE  13  -9.096   5.482   3.324
   95   HG13  ILE  13          HG13      ILE  13  -9.638   4.505   1.958
   96   HG21  ILE  13          HG21      ILE  13  -7.194   2.769   4.979
   97   HG22  ILE  13          HG22      ILE  13  -8.689   3.617   5.372
   98   HG23  ILE  13          HG23      ILE  13  -7.265   4.528   4.870
   99   HD11  ILE  13          HD11      ILE  13 -11.371   3.644   3.132
  100   HD12  ILE  13          HD12      ILE  13 -11.063   4.930   4.299
  101   HD13  ILE  13          HD13      ILE  13 -10.359   3.332   4.543
  102    H    ALA  14           H        ALA  14  -6.405   1.548   1.482
  103    HA   ALA  14           HA       ALA  14  -4.393   1.011   3.504
  104    HB1  ALA  14           HB1      ALA  14  -5.243  -1.030   3.038
  105    HB2  ALA  14           HB2      ALA  14  -4.160  -0.996   1.646
  106    HB3  ALA  14           HB3      ALA  14  -5.848  -0.519   1.462
  107    H    CYS  15           H        CYS  15  -4.532   1.851   0.087
  108    HA   CYS  15           HA       CYS  15  -1.665   1.568  -0.263
  109    HB2  CYS  15           HB2      CYS  15  -3.773   2.734  -2.097
  110    HB3  CYS  15           HB3      CYS  15  -2.100   2.390  -2.539
  111    H    THR  16           H        THR  16  -3.851   3.961   0.810
  112    HA   THR  16           HA       THR  16  -2.250   6.247   0.061
  113    HB   THR  16           HB       THR  16  -4.465   6.113   2.114
  114    HG1  THR  16           HG1      THR  16  -5.824   6.052   0.518
  115   HG21  THR  16          HG21      THR  16  -2.773   8.204   1.036
  116   HG22  THR  16          HG22      THR  16  -3.948   8.290   2.347
  117   HG23  THR  16          HG23      THR  16  -4.470   8.528   0.679
  118    H    LYS  17           H        LYS  17  -2.385   4.002   2.682
  119    HA   LYS  17           HA       LYS  17  -0.823   5.734   4.454
  120    HB2  LYS  17           HB2      LYS  17  -2.172   3.062   4.774
  121    HB3  LYS  17           HB3      LYS  17  -0.999   3.641   5.958
  122    HG2  LYS  17           HG2      LYS  17  -2.336   5.724   6.222
  123    HG3  LYS  17           HG3      LYS  17  -3.535   5.068   5.105
  124    HD2  LYS  17           HD2      LYS  17  -4.044   3.247   6.596
  125    HD3  LYS  17           HD3      LYS  17  -2.687   3.657   7.647
  126    HE2  LYS  17           HE2      LYS  17  -4.947   5.591   7.103
  127    HE3  LYS  17           HE3      LYS  17  -4.995   4.436   8.436
  128    HZ1  LYS  17           HZ1      LYS  17  -2.969   5.365   9.306
  129    HZ2  LYS  17           HZ2      LYS  17  -4.112   6.605   9.103
  130    HZ3  LYS  17           HZ3      LYS  17  -2.839   6.429   7.992
  131    H    CYS  18           H        CYS  18  -0.424   3.149   2.207
  132    HA   CYS  18           HA       CYS  18   2.078   2.176   3.237
  133    HB2  CYS  18           HB2      CYS  18   0.272   1.131   1.532
  134    HB3  CYS  18           HB3      CYS  18   1.420   1.795   0.370
  135    H    ARG  19           H        ARG  19   1.101   4.374   0.630
  136    HA   ARG  19           HA       ARG  19   3.770   4.881  -0.271
  137    HB2  ARG  19           HB2      ARG  19   2.799   6.425  -1.761
  138    HB3  ARG  19           HB3      ARG  19   1.551   5.199  -1.549
  139    HG2  ARG  19           HG2      ARG  19   0.296   7.117  -1.198
  140    HG3  ARG  19           HG3      ARG  19   0.797   6.757   0.453
  141    HD2  ARG  19           HD2      ARG  19   1.763   8.780   0.564
  142    HD3  ARG  19           HD3      ARG  19   2.885   8.292  -0.699
  143    HE   ARG  19           HE       ARG  19   1.692   9.630  -2.165
  144   HH11  ARG  19          HH21      ARG  19  -0.227   8.816   0.596
  145   HH12  ARG  19          HH22      ARG  19  -1.561   9.821   0.139
  146   HH21  ARG  19          HH11      ARG  19  -0.058  10.950  -2.773
  147   HH22  ARG  19          HH12      ARG  19  -1.465  11.031  -1.767
  148    H    ASP  20           H        ASP  20   1.589   6.391   2.043
  149    HA   ASP  20           HA       ASP  20   2.931   8.821   2.425
  150    HB2  ASP  20           HB2      ASP  20   0.666   7.953   3.394
  151    HB3  ASP  20           HB3      ASP  20   1.665   7.356   4.719
  152    H    ARG  21           H        ARG  21   3.648   5.594   3.548
  153    HA   ARG  21           HA       ARG  21   5.506   6.338   5.585
  154    HB2  ARG  21           HB2      ARG  21   4.485   4.135   5.611
  155    HB3  ARG  21           HB3      ARG  21   5.172   3.764   4.029
  156    HG2  ARG  21           HG2      ARG  21   7.319   3.515   4.863
  157    HG3  ARG  21           HG3      ARG  21   7.029   4.601   6.223
  158    HD2  ARG  21           HD2      ARG  21   5.405   2.113   6.140
  159    HD3  ARG  21           HD3      ARG  21   7.118   1.921   6.499
  160    HE   ARG  21           HE       ARG  21   5.991   4.009   8.079
  161   HH11  ARG  21          HH21      ARG  21   6.129   0.573   7.693
  162   HH12  ARG  21          HH22      ARG  21   5.851   0.235   9.368
  163   HH21  ARG  21          HH11      ARG  21   5.624   3.573  10.278
  164   HH22  ARG  21          HH12      ARG  21   5.564   1.933  10.832
  165    H    VAL  22           H        VAL  22   5.976   5.032   2.291
  166    HA   VAL  22           HA       VAL  22   8.800   5.682   2.355
  167    HB   VAL  22           HB       VAL  22   7.222   4.816  -0.064
  168   HG11  VAL  22          HG11      VAL  22   9.968   5.345   0.506
  169   HG12  VAL  22          HG12      VAL  22   9.271   4.724  -0.990
  170   HG13  VAL  22          HG13      VAL  22   9.801   3.605   0.266
  171   HG21  VAL  22          HG21      VAL  22   7.483   2.525   0.610
  172   HG22  VAL  22          HG22      VAL  22   6.765   3.368   1.981
  173   HG23  VAL  22          HG23      VAL  22   8.485   2.980   1.988
  174    H    ARG  23           H        ARG  23   5.976   7.376   1.719
  175    HA   ARG  23           HA       ARG  23   5.493   9.360   0.655
  176    HB2  ARG  23           HB2      ARG  23   8.379  10.121   0.899
  177    HB3  ARG  23           HB3      ARG  23   6.936  11.093   1.191
  178    HG2  ARG  23           HG2      ARG  23   6.451   9.562   3.166
  179    HG3  ARG  23           HG3      ARG  23   8.072   8.903   2.942
  180    HD2  ARG  23           HD2      ARG  23   8.798  10.594   4.247
  181    HD3  ARG  23           HD3      ARG  23   8.479  11.649   2.873
  182    HE   ARG  23           HE       ARG  23   6.106  11.221   4.406
  183   HH11  ARG  23          HH21      ARG  23   9.136  12.890   4.337
  184   HH12  ARG  23          HH22      ARG  23   8.587  14.214   5.308
  185   HH21  ARG  23          HH11      ARG  23   5.378  12.956   5.681
  186   HH22  ARG  23          HH12      ARG  23   6.460  14.252   6.069
  187    H    THR  24           H        THR  24   5.989   7.292  -1.148
  188    HA   THR  24           HA       THR  24   7.122   8.819  -3.393
  189    HB   THR  24           HB       THR  24   7.647   5.878  -3.234
  190    HG1  THR  24           HG1      THR  24   8.401   7.392  -1.339
  191   HG21  THR  24          HG21      THR  24   9.324   6.359  -4.794
  192   HG22  THR  24          HG22      THR  24   9.449   8.042  -4.285
  193   HG23  THR  24          HG23      THR  24   8.060   7.509  -5.232
  194    H    ASP  25           H        ASP  25   5.358   9.132  -4.620
  195    HA   ASP  25           HA       ASP  25   3.005   7.749  -4.712
  196    HB2  ASP  25           HB2      ASP  25   4.518   9.307  -6.768
  197    HB3  ASP  25           HB3      ASP  25   3.083   8.414  -7.270
  198    H    ASP  26           H        ASP  26   6.008   6.963  -6.406
  199    HA   ASP  26           HA       ASP  26   5.124   4.914  -8.066
  200    HB2  ASP  26           HB2      ASP  26   7.712   5.537  -6.708
  201    HB3  ASP  26           HB3      ASP  26   7.523   3.954  -7.460
  202    H    TYR  27           H        TYR  27   5.625   4.965  -4.614
  203    HA   TYR  27           HA       TYR  27   5.583   2.130  -4.227
  204    HB2  TYR  27           HB2      TYR  27   6.330   4.153  -2.645
  205    HB3  TYR  27           HB3      TYR  27   4.678   3.954  -2.059
  206    HD1  TYR  27           HD2      TYR  27   7.837   2.086  -2.750
  207    HD2  TYR  27           HD1      TYR  27   4.104   2.164  -0.627
  208    HE1  TYR  27           HE2      TYR  27   8.532   0.089  -1.453
  209    HE2  TYR  27           HE1      TYR  27   4.798   0.168   0.670
  210    HH   TYR  27           HH       TYR  27   6.828  -0.980   1.326
  211    H    PHE  28           H        PHE  28   3.147   4.696  -4.185
  212    HA   PHE  28           HA       PHE  28   0.974   3.389  -3.121
  213    HB2  PHE  28           HB2      PHE  28   1.039   5.771  -3.862
  214    HB3  PHE  28           HB3      PHE  28   0.928   5.215  -5.533
  215    HD1  PHE  28           HD2      PHE  28  -0.829   5.446  -2.301
  216    HD2  PHE  28           HD1      PHE  28  -1.115   4.280  -6.420
  217    HE1  PHE  28           HE2      PHE  28  -3.284   5.254  -2.074
  218    HE2  PHE  28           HE1      PHE  28  -3.573   4.086  -6.195
  219    HZ   PHE  28           HZ       PHE  28  -4.664   4.575  -4.021
  220    H    TYR  29           H        TYR  29   1.746   3.580  -6.603
  221    HA   TYR  29           HA       TYR  29  -0.158   1.846  -7.579
  222    HB2  TYR  29           HB2      TYR  29   2.148   3.097  -8.582
  223    HB3  TYR  29           HB3      TYR  29   2.370   1.380  -8.912
  224    HD1  TYR  29           HD2      TYR  29  -0.120   4.153  -9.229
  225    HD2  TYR  29           HD1      TYR  29   1.222   0.342 -10.685
  226    HE1  TYR  29           HE2      TYR  29  -1.738   4.300 -11.103
  227    HE2  TYR  29           HE1      TYR  29  -0.396   0.489 -12.560
  228    HH   TYR  29           HH       TYR  29  -1.731   3.119 -13.631
  229    H    GLU  30           H        GLU  30   2.937   1.068  -6.064
  230    HA   GLU  30           HA       GLU  30   3.018  -1.678  -6.637
  231    HB2  GLU  30           HB2      GLU  30   4.720  -0.032  -5.410
  232    HB3  GLU  30           HB3      GLU  30   3.970  -0.732  -3.976
  233    HG2  GLU  30           HG2      GLU  30   5.552  -2.354  -4.287
  234    HG3  GLU  30           HG3      GLU  30   4.363  -2.981  -5.427
  235    H    CYS  31           H        CYS  31   1.090   0.146  -4.402
  236    HA   CYS  31           HA       CYS  31   0.303  -2.175  -2.842
  237    HB2  CYS  31           HB2      CYS  31   0.411  -0.102  -1.646
  238    HB3  CYS  31           HB3      CYS  31  -0.592   0.713  -2.847
  239    H    CYS  32           H        CYS  32  -0.700  -0.550  -5.699
  240    HA   CYS  32           HA       CYS  32  -3.425  -1.580  -5.611
  241    HB2  CYS  32           HB2      CYS  32  -2.389   0.638  -6.756
  242    HB3  CYS  32           HB3      CYS  32  -2.331  -0.465  -8.131
  243    H    THR  33           H        THR  33  -0.430  -2.829  -6.329
  244    HA   THR  33           HA       THR  33  -1.621  -5.080  -7.751
  245    HB   THR  33           HB       THR  33   0.879  -4.206  -9.025
  246    HG1  THR  33           HG1      THR  33  -1.418  -2.813  -9.788
  247   HG21  THR  33          HG21      THR  33  -0.090  -5.185 -10.884
  248   HG22  THR  33          HG22      THR  33  -1.719  -4.694 -10.422
  249   HG23  THR  33          HG23      THR  33  -0.939  -6.048  -9.602
  250    H    SER  34           H        SER  34   1.100  -5.944  -8.579
  251    HA   SER  34           HA       SER  34   2.586  -7.485  -7.698
  252    HB2  SER  34           HB2      SER  34   4.009  -5.654  -7.399
  253    HB3  SER  34           HB3      SER  34   2.992  -4.946  -6.148
  254    HG   SER  34           HG       SER  34   4.917  -5.997  -5.357
  255    H    GLU  35           H        GLU  35   1.628  -9.218  -6.803
  256    HA   GLU  35           HA       GLU  35   0.007  -9.192  -4.485
  257    HB2  GLU  35           HB2      GLU  35   1.343 -11.291  -6.133
  258    HB3  GLU  35           HB3      GLU  35   0.756 -11.741  -4.532
  259    HG2  GLU  35           HG2      GLU  35  -0.913 -12.045  -6.431
  260    HG3  GLU  35           HG3      GLU  35  -1.482 -11.085  -5.066
  261    H    SER  36           H        SER  36   3.246  -8.612  -4.762
  262    HA   SER  36           HA       SER  36   4.074  -9.958  -2.311
  263    HB2  SER  36           HB2      SER  36   5.728  -7.941  -3.797
  264    HB3  SER  36           HB3      SER  36   6.257  -9.338  -2.864
  265    HG   SER  36           HG       SER  36   5.421  -9.146  -5.484
  266    H    THR  37           H        THR  37   4.131  -6.583  -3.482
  267    HA   THR  37           HA       THR  37   4.528  -5.452  -0.910
  268    HB   THR  37           HB       THR  37   3.282  -4.090  -3.304
  269    HG1  THR  37           HG1      THR  37   5.160  -4.165  -4.218
  270   HG21  THR  37          HG21      THR  37   4.743  -3.192  -0.825
  271   HG22  THR  37          HG22      THR  37   3.178  -2.652  -1.433
  272   HG23  THR  37          HG23      THR  37   4.659  -2.170  -2.260
  273    H    PHE  38           H        PHE  38   1.790  -6.791  -2.412
  274    HA   PHE  38           HA       PHE  38  -0.189  -5.194  -1.036
  275    HB2  PHE  38           HB2      PHE  38  -0.538  -6.336  -3.269
  276    HB3  PHE  38           HB3      PHE  38  -0.589  -7.864  -2.390
  277    HD1  PHE  38           HD1      PHE  38  -2.426  -8.391  -0.865
  278    HD2  PHE  38           HD2      PHE  38  -2.310  -4.670  -3.012
  279    HE1  PHE  38           HE1      PHE  38  -4.806  -7.989  -0.299
  280    HE2  PHE  38           HE2      PHE  38  -4.690  -4.270  -2.445
  281    HZ   PHE  38           HZ       PHE  38  -5.938  -5.929  -1.088
  282    H    LYS  39           H        LYS  39   1.219  -8.431  -0.686
  283    HA   LYS  39           HA       LYS  39  -0.374  -8.999   1.676
  284    HB2  LYS  39           HB2      LYS  39   0.559 -10.647  -0.171
  285    HB3  LYS  39           HB3      LYS  39   1.978 -10.660   0.878
  286    HG2  LYS  39           HG2      LYS  39   0.350 -11.122   2.808
  287    HG3  LYS  39           HG3      LYS  39  -0.851 -11.467   1.563
  288    HD2  LYS  39           HD2      LYS  39   0.726 -13.141   0.576
  289    HD3  LYS  39           HD3      LYS  39   1.818 -12.859   1.932
  290    HE2  LYS  39           HE2      LYS  39   0.645 -14.639   2.799
  291    HE3  LYS  39           HE3      LYS  39  -0.424 -13.337   3.321
  292    HZ1  LYS  39           HZ1      LYS  39  -2.016 -14.309   2.151
  293    HZ2  LYS  39           HZ2      LYS  39  -0.932 -15.439   1.490
  294    HZ3  LYS  39           HZ3      LYS  39  -1.163 -13.935   0.734
  295    H    LYS  40           H        LYS  40   2.593  -7.468   0.969
  296    HA   LYS  40           HA       LYS  40   3.772  -8.028   3.582
  297    HB2  LYS  40           HB2      LYS  40   5.002  -7.741   1.272
  298    HB3  LYS  40           HB3      LYS  40   4.892  -6.024   1.662
  299    HG2  LYS  40           HG2      LYS  40   5.766  -6.908   4.036
  300    HG3  LYS  40           HG3      LYS  40   6.446  -8.178   3.017
  301    HD2  LYS  40           HD2      LYS  40   8.104  -6.443   3.163
  302    HD3  LYS  40           HD3      LYS  40   7.399  -6.342   1.548
  303    HE2  LYS  40           HE2      LYS  40   5.899  -4.760   3.483
  304    HE3  LYS  40           HE3      LYS  40   7.586  -4.254   3.388
  305    HZ1  LYS  40           HZ1      LYS  40   6.603  -3.057   1.704
  306    HZ2  LYS  40           HZ2      LYS  40   5.544  -4.313   1.267
  307    HZ3  LYS  40           HZ3      LYS  40   7.192  -4.406   0.862
  308    H    CYS  41           H        CYS  41   2.543  -5.235   1.754
  309    HA   CYS  41           HA       CYS  41   2.943  -3.326   3.811
  310    HB2  CYS  41           HB2      CYS  41   2.583  -2.754   1.424
  311    HB3  CYS  41           HB3      CYS  41   0.908  -3.282   1.572
  312    H    GLN  42           H        GLN  42   0.454  -5.672   3.202
  313    HA   GLN  42           HA       GLN  42  -1.605  -4.496   4.770
  314    HB2  GLN  42           HB2      GLN  42  -1.762  -6.416   3.045
  315    HB3  GLN  42           HB3      GLN  42  -1.280  -7.462   4.381
  316    HG2  GLN  42           HG2      GLN  42  -3.528  -7.534   4.777
  317    HG3  GLN  42           HG3      GLN  42  -3.215  -6.007   5.599
  318   HE21  GLN  42          HE21      GLN  42  -4.249  -7.352   2.436
  319   HE22  GLN  42          HE22      GLN  42  -5.112  -5.969   1.962
  320    H    THR  43           H        THR  43   1.148  -6.530   5.536
  321    HA   THR  43           HA       THR  43   0.242  -7.125   8.214
  322    HB   THR  43           HB       THR  43   3.089  -7.395   7.304
  323    HG1  THR  43           HG1      THR  43   0.867  -9.002   6.593
  324   HG21  THR  43          HG21      THR  43   1.349  -9.281   8.897
  325   HG22  THR  43          HG22      THR  43   2.227  -7.950   9.651
  326   HG23  THR  43          HG23      THR  43   3.110  -9.229   8.818
  327    H    MET  44           H        MET  44   2.327  -4.756   6.671
  328    HA   MET  44           HA       MET  44   3.453  -3.763   9.120
  329    HB2  MET  44           HB2      MET  44   3.554  -3.038   6.247
  330    HB3  MET  44           HB3      MET  44   3.844  -1.730   7.394
  331    HG2  MET  44           HG2      MET  44   5.789  -2.666   8.185
  332    HG3  MET  44           HG3      MET  44   5.226  -4.316   7.920
  333    HE1  MET  44           HE1      MET  44   6.197  -1.106   6.687
  334    HE2  MET  44           HE2      MET  44   5.831  -1.210   4.968
  335    HE3  MET  44           HE3      MET  44   7.490  -1.418   5.523
  336    H    LEU  45           H        LEU  45   0.410  -3.514   7.742
  337    HA   LEU  45           HA       LEU  45  -0.168  -0.798   8.564
  338    HB2  LEU  45           HB2      LEU  45  -1.699  -3.034   7.304
  339    HB3  LEU  45           HB3      LEU  45  -2.596  -1.740   8.100
  340    HG   LEU  45           HG       LEU  45  -0.380  -0.979   6.242
  341   HD11  LEU  45          HD11      LEU  45  -1.346  -2.304   4.638
  342   HD12  LEU  45          HD12      LEU  45  -2.474  -0.951   4.536
  343   HD13  LEU  45          HD13      LEU  45  -2.892  -2.378   5.484
  344   HD21  LEU  45          HD21      LEU  45  -1.550   1.025   6.106
  345   HD22  LEU  45          HD22      LEU  45  -2.011   0.501   7.727
  346   HD23  LEU  45          HD23      LEU  45  -3.112   0.248   6.372
  347    H    HIS  46           H        HIS  46  -1.098  -4.062   9.648
  348    HA   HIS  46           HA       HIS  46  -1.169  -3.221  12.399
  349    HB2  HIS  46           HB2      HIS  46  -3.532  -3.639  12.799
  350    HB3  HIS  46           HB3      HIS  46  -3.360  -2.377  11.579
  351    HD1  HIS  46           HD1      HIS  46  -4.537  -5.885  12.064
  352    HD2  HIS  46           HD2      HIS  46  -4.042  -3.207   8.908
  353    HE1  HIS  46           HE1      HIS  46  -5.763  -6.878  10.082
  354    H    GLN  47           H        GLN  47   0.446  -4.984  12.124
  355    HA   GLN  47           HA       GLN  47   0.299  -7.515  11.387
  356    HB2  GLN  47           HB2      GLN  47   0.913  -7.121  14.295
  357    HB3  GLN  47           HB3      GLN  47   1.748  -8.117  13.103
  358    HG2  GLN  47           HG2      GLN  47   2.198  -5.775  11.947
  359    HG3  GLN  47           HG3      GLN  47   1.951  -5.169  13.584
  360   HE21  GLN  47          HE21      GLN  47   4.364  -6.199  11.534
  361   HE22  GLN  47          HE22      GLN  47   5.490  -6.737  12.684
  Start of MODEL   13
    1    H1   ALA   1           H1       ALA   1 -10.932   3.773 -14.984
    2    H2   ALA   1           H2       ALA   1 -12.210   4.894 -14.971
    3    H3   ALA   1           H3       ALA   1 -12.501   3.262 -14.592
    4    HA   ALA   1           HA       ALA   1 -10.564   4.749 -12.971
    5    HB1  ALA   1           HB1      ALA   1 -12.973   5.000 -11.610
    6    HB2  ALA   1           HB2      ALA   1 -13.397   5.415 -13.271
    7    HB3  ALA   1           HB3      ALA   1 -12.120   6.302 -12.440
    8    H    ASP   2           H        ASP   2  -9.666   2.770 -12.413
    9    HA   ASP   2           HA       ASP   2 -11.032   1.277 -10.395
   10    HB2  ASP   2           HB2      ASP   2 -10.986  -0.911 -11.602
   11    HB3  ASP   2           HB3      ASP   2 -12.157   0.231 -12.260
   12    H    ASP   3           H        ASP   3  -8.501   0.826 -12.883
   13    HA   ASP   3           HA       ASP   3  -6.389  -0.125 -12.650
   14    HB2  ASP   3           HB2      ASP   3  -6.651   2.351 -11.121
   15    HB3  ASP   3           HB3      ASP   3  -5.341   1.324 -10.536
   16    H    LYS   4           H        LYS   4  -8.473  -1.481 -11.124
   17    HA   LYS   4           HA       LYS   4  -8.552  -3.272  -9.677
   18    HB2  LYS   4           HB2      LYS   4  -5.933  -3.245 -10.418
   19    HB3  LYS   4           HB3      LYS   4  -5.789  -2.986  -8.678
   20    HG2  LYS   4           HG2      LYS   4  -7.564  -4.941  -8.557
   21    HG3  LYS   4           HG3      LYS   4  -6.927  -5.333 -10.155
   22    HD2  LYS   4           HD2      LYS   4  -4.636  -5.391  -9.220
   23    HD3  LYS   4           HD3      LYS   4  -5.288  -5.032  -7.620
   24    HE2  LYS   4           HE2      LYS   4  -6.834  -7.145  -8.228
   25    HE3  LYS   4           HE3      LYS   4  -5.420  -7.556  -9.197
   26    HZ1  LYS   4           HZ1      LYS   4  -5.311  -8.444  -6.925
   27    HZ2  LYS   4           HZ2      LYS   4  -5.347  -6.860  -6.312
   28    HZ3  LYS   4           HZ3      LYS   4  -4.037  -7.377  -7.261
   29    H    CYS   5           H        CYS   5  -7.027  -0.288  -8.681
   30    HA   CYS   5           HA       CYS   5  -7.700  -0.739  -5.871
   31    HB2  CYS   5           HB2      CYS   5  -6.672   1.895  -6.745
   32    HB3  CYS   5           HB3      CYS   5  -6.175   0.881  -5.389
   33    H    GLU   6           H        GLU   6  -8.113   2.093  -7.993
   34    HA   GLU   6           HA       GLU   6 -10.112   3.379  -6.647
   35    HB2  GLU   6           HB2      GLU   6  -9.733   3.120  -9.635
   36    HB3  GLU   6           HB3      GLU   6 -10.840   4.268  -8.880
   37    HG2  GLU   6           HG2      GLU   6  -8.853   5.104  -7.527
   38    HG3  GLU   6           HG3      GLU   6  -7.832   4.142  -8.595
   39    H    ASP   7           H        ASP   7 -10.337   0.333  -8.176
   40    HA   ASP   7           HA       ASP   7 -13.100   0.323  -8.832
   41    HB2  ASP   7           HB2      ASP   7 -11.168  -1.355  -9.449
   42    HB3  ASP   7           HB3      ASP   7 -11.679  -2.168  -7.971
   43    H    SER   8           H        SER   8 -11.300  -0.377  -5.889
   44    HA   SER   8           HA       SER   8 -13.878  -0.616  -4.456
   45    HB2  SER   8           HB2      SER   8 -11.340  -2.205  -4.096
   46    HB3  SER   8           HB3      SER   8 -12.555  -2.082  -2.827
   47    HG   SER   8           HG       SER   8 -13.899  -3.259  -3.986
   48    H    LEU   9           H        LEU   9 -14.071   1.324  -3.494
   49    HA   LEU   9           HA       LEU   9 -12.042   3.061  -2.722
   50    HB2  LEU   9           HB2      LEU   9 -14.722   3.224  -2.741
   51    HB3  LEU   9           HB3      LEU   9 -14.468   2.972  -1.014
   52    HG   LEU   9           HG       LEU   9 -12.593   4.811  -1.349
   53   HD11  LEU   9          HD11      LEU   9 -13.203   4.754  -3.890
   54   HD12  LEU   9          HD12      LEU   9 -12.932   6.316  -3.117
   55   HD13  LEU   9          HD13      LEU   9 -14.577   5.749  -3.409
   56   HD21  LEU   9          HD21      LEU   9 -14.578   6.547  -1.099
   57   HD22  LEU   9          HD22      LEU   9 -14.270   5.361   0.168
   58   HD23  LEU   9          HD23      LEU   9 -15.559   5.085  -1.001
   59    H    ARG  10           H        ARG  10 -12.627   0.027  -1.509
   60    HA   ARG  10           HA       ARG  10 -11.777   0.638   1.228
   61    HB2  ARG  10           HB2      ARG  10 -12.648  -1.931  -0.111
   62    HB3  ARG  10           HB3      ARG  10 -12.114  -1.827   1.567
   63    HG2  ARG  10           HG2      ARG  10 -14.372  -0.158   0.434
   64    HG3  ARG  10           HG3      ARG  10 -14.622  -1.698   1.257
   65    HD2  ARG  10           HD2      ARG  10 -12.926  -0.293   2.965
   66    HD3  ARG  10           HD3      ARG  10 -14.051   0.932   2.385
   67    HE   ARG  10           HE       ARG  10 -15.335  -1.518   3.238
   68   HH11  ARG  10          HH21      ARG  10 -14.056   1.561   4.164
   69   HH12  ARG  10          HH22      ARG  10 -15.055   1.708   5.571
   70   HH21  ARG  10          HH11      ARG  10 -16.649  -1.332   5.083
   71   HH22  ARG  10          HH12      ARG  10 -16.524   0.072   6.090
   72    H    ARG  11           H        ARG  11 -10.475  -0.414  -1.777
   73    HA   ARG  11           HA       ARG  11  -8.098  -1.571  -0.510
   74    HB2  ARG  11           HB2      ARG  11  -9.421  -2.382  -2.701
   75    HB3  ARG  11           HB3      ARG  11  -8.267  -1.285  -3.461
   76    HG2  ARG  11           HG2      ARG  11  -7.047  -3.271  -3.430
   77    HG3  ARG  11           HG3      ARG  11  -6.523  -2.520  -1.920
   78    HD2  ARG  11           HD2      ARG  11  -8.712  -3.821  -1.030
   79    HD3  ARG  11           HD3      ARG  11  -8.262  -4.891  -2.355
   80    HE   ARG  11           HE       ARG  11  -6.166  -4.131  -0.444
   81   HH11  ARG  11          HH21      ARG  11  -8.420  -6.444  -1.686
   82   HH12  ARG  11          HH22      ARG  11  -7.644  -7.804  -0.946
   83   HH21  ARG  11          HH11      ARG  11  -5.141  -5.909   0.528
   84   HH22  ARG  11          HH12      ARG  11  -5.788  -7.501   0.308
   85    H    GLU  12           H        GLU  12  -9.187   1.322  -2.074
   86    HA   GLU  12           HA       GLU  12  -6.618   2.332  -2.821
   87    HB2  GLU  12           HB2      GLU  12  -8.701   3.158  -3.845
   88    HB3  GLU  12           HB3      GLU  12  -9.205   3.815  -2.287
   89    HG2  GLU  12           HG2      GLU  12  -6.518   4.687  -2.926
   90    HG3  GLU  12           HG3      GLU  12  -7.625   5.098  -4.235
   91    H    ILE  13           H        ILE  13  -8.713   2.723   0.008
   92    HA   ILE  13           HA       ILE  13  -7.189   4.687   1.339
   93    HB   ILE  13           HB       ILE  13  -8.858   2.513   2.617
   94   HG12  ILE  13          HG12      ILE  13  -9.784   4.129   0.655
   95   HG13  ILE  13          HG13      ILE  13 -10.777   3.629   2.023
   96   HG21  ILE  13          HG21      ILE  13  -7.568   3.761   4.234
   97   HG22  ILE  13          HG22      ILE  13  -9.230   4.345   4.310
   98   HG23  ILE  13          HG23      ILE  13  -8.001   5.291   3.472
   99   HD11  ILE  13          HD11      ILE  13  -9.102   6.152   2.023
  100   HD12  ILE  13          HD12      ILE  13 -10.328   5.681   3.201
  101   HD13  ILE  13          HD13      ILE  13 -10.804   6.116   1.559
  102    H    ALA  14           H        ALA  14  -6.812   1.230   1.041
  103    HA   ALA  14           HA       ALA  14  -4.945   0.982   3.225
  104    HB1  ALA  14           HB1      ALA  14  -4.568  -1.305   2.224
  105    HB2  ALA  14           HB2      ALA  14  -5.748  -0.878   0.984
  106    HB3  ALA  14           HB3      ALA  14  -6.236  -0.957   2.677
  107    H    CYS  15           H        CYS  15  -4.765   1.784  -0.141
  108    HA   CYS  15           HA       CYS  15  -1.876   1.297  -0.231
  109    HB2  CYS  15           HB2      CYS  15  -3.858   2.186  -2.335
  110    HB3  CYS  15           HB3      CYS  15  -2.125   2.032  -2.621
  111    H    THR  16           H        THR  16  -4.095   3.823   0.388
  112    HA   THR  16           HA       THR  16  -2.393   5.996  -0.448
  113    HB   THR  16           HB       THR  16  -4.592   6.332   1.555
  114    HG1  THR  16           HG1      THR  16  -5.458   4.922   0.042
  115   HG21  THR  16          HG21      THR  16  -4.255   7.950  -0.925
  116   HG22  THR  16          HG22      THR  16  -3.013   8.108   0.317
  117   HG23  THR  16          HG23      THR  16  -4.696   8.465   0.703
  118    H    LYS  17           H        LYS  17  -3.006   4.214   2.515
  119    HA   LYS  17           HA       LYS  17  -1.536   6.021   4.205
  120    HB2  LYS  17           HB2      LYS  17  -1.837   4.337   5.926
  121    HB3  LYS  17           HB3      LYS  17  -3.351   4.529   5.042
  122    HG2  LYS  17           HG2      LYS  17  -2.375   2.595   3.539
  123    HG3  LYS  17           HG3      LYS  17  -1.391   2.260   4.965
  124    HD2  LYS  17           HD2      LYS  17  -4.418   2.377   4.843
  125    HD3  LYS  17           HD3      LYS  17  -3.427   0.941   5.107
  126    HE2  LYS  17           HE2      LYS  17  -3.773   3.312   6.951
  127    HE3  LYS  17           HE3      LYS  17  -4.182   1.627   7.271
  128    HZ1  LYS  17           HZ1      LYS  17  -1.426   2.592   6.744
  129    HZ2  LYS  17           HZ2      LYS  17  -1.890   1.040   7.260
  130    HZ3  LYS  17           HZ3      LYS  17  -2.069   2.373   8.298
  131    H    CYS  18           H        CYS  18  -0.799   3.255   2.225
  132    HA   CYS  18           HA       CYS  18   1.678   2.548   3.428
  133    HB2  CYS  18           HB2      CYS  18   0.274   1.949   0.880
  134    HB3  CYS  18           HB3      CYS  18   2.024   1.726   0.893
  135    H    ARG  19           H        ARG  19   0.847   4.628   0.659
  136    HA   ARG  19           HA       ARG  19   3.559   5.372   0.124
  137    HB2  ARG  19           HB2      ARG  19   2.704   6.681  -1.583
  138    HB3  ARG  19           HB3      ARG  19   1.410   5.496  -1.398
  139    HG2  ARG  19           HG2      ARG  19   0.263   7.090   0.173
  140    HG3  ARG  19           HG3      ARG  19   1.497   8.288  -0.218
  141    HD2  ARG  19           HD2      ARG  19  -0.151   6.927  -2.351
  142    HD3  ARG  19           HD3      ARG  19  -0.678   8.413  -1.567
  143    HE   ARG  19           HE       ARG  19   1.952   8.806  -2.465
  144   HH11  ARG  19          HH21      ARG  19  -1.227   8.211  -3.702
  145   HH12  ARG  19          HH22      ARG  19  -0.951   9.045  -5.194
  146   HH21  ARG  19          HH11      ARG  19   2.318   9.902  -4.418
  147   HH22  ARG  19          HH12      ARG  19   1.056  10.005  -5.599
  148    H    ASP  20           H        ASP  20   0.883   6.838   1.921
  149    HA   ASP  20           HA       ASP  20   2.050   9.318   2.487
  150    HB2  ASP  20           HB2      ASP  20   0.027   7.615   3.921
  151    HB3  ASP  20           HB3      ASP  20   0.582   9.136   4.619
  152    H    ARG  21           H        ARG  21   2.741   6.158   3.716
  153    HA   ARG  21           HA       ARG  21   3.998   6.936   6.156
  154    HB2  ARG  21           HB2      ARG  21   3.170   4.590   5.394
  155    HB3  ARG  21           HB3      ARG  21   4.746   4.468   4.610
  156    HG2  ARG  21           HG2      ARG  21   5.078   3.538   6.769
  157    HG3  ARG  21           HG3      ARG  21   5.737   5.170   6.879
  158    HD2  ARG  21           HD2      ARG  21   4.337   5.580   8.587
  159    HD3  ARG  21           HD3      ARG  21   2.981   5.388   7.479
  160    HE   ARG  21           HE       ARG  21   3.721   2.819   8.196
  161   HH11  ARG  21          HH21      ARG  21   2.719   5.729   9.779
  162   HH12  ARG  21          HH22      ARG  21   1.946   4.911  11.095
  163   HH21  ARG  21          HH11      ARG  21   2.709   1.739   9.919
  164   HH22  ARG  21          HH12      ARG  21   1.941   2.652  11.174
  165    H    VAL  22           H        VAL  22   5.372   5.839   3.047
  166    HA   VAL  22           HA       VAL  22   7.960   6.983   3.783
  167    HB   VAL  22           HB       VAL  22   7.212   5.517   1.246
  168   HG11  VAL  22          HG11      VAL  22   9.291   6.394   0.801
  169   HG12  VAL  22          HG12      VAL  22   9.803   4.967   1.704
  170   HG13  VAL  22          HG13      VAL  22   9.713   6.534   2.508
  171   HG21  VAL  22          HG21      VAL  22   6.802   4.298   3.506
  172   HG22  VAL  22          HG22      VAL  22   8.559   4.290   3.652
  173   HG23  VAL  22          HG23      VAL  22   7.784   3.477   2.293
  174    H    ARG  23           H        ARG  23   5.167   8.084   2.434
  175    HA   ARG  23           HA       ARG  23   4.601   9.797   0.997
  176    HB2  ARG  23           HB2      ARG  23   7.220  10.920   2.016
  177    HB3  ARG  23           HB3      ARG  23   5.868  11.839   1.353
  178    HG2  ARG  23           HG2      ARG  23   4.424  10.961   3.193
  179    HG3  ARG  23           HG3      ARG  23   5.841  10.171   3.885
  180    HD2  ARG  23           HD2      ARG  23   6.038  13.083   3.255
  181    HD3  ARG  23           HD3      ARG  23   5.089  12.611   4.661
  182    HE   ARG  23           HE       ARG  23   7.647  11.318   4.626
  183   HH11  ARG  23          HH21      ARG  23   5.978  14.272   5.306
  184   HH12  ARG  23          HH22      ARG  23   7.133  14.818   6.475
  185   HH21  ARG  23          HH11      ARG  23   9.168  12.026   6.157
  186   HH22  ARG  23          HH12      ARG  23   8.941  13.546   6.956
  187    H    THR  24           H        THR  24   5.841   7.682  -0.345
  188    HA   THR  24           HA       THR  24   7.255   9.153  -2.482
  189    HB   THR  24           HB       THR  24   7.920   6.334  -1.607
  190    HG1  THR  24           HG1      THR  24   9.940   7.628  -1.045
  191   HG21  THR  24          HG21      THR  24   9.617   8.155  -3.287
  192   HG22  THR  24          HG22      THR  24   8.296   7.254  -4.032
  193   HG23  THR  24          HG23      THR  24   9.605   6.393  -3.222
  194    H    ASP  25           H        ASP  25   5.982   9.125  -4.218
  195    HA   ASP  25           HA       ASP  25   3.716   7.648  -4.664
  196    HB2  ASP  25           HB2      ASP  25   5.489   8.213  -7.005
  197    HB3  ASP  25           HB3      ASP  25   3.749   8.445  -6.835
  198    H    ASP  26           H        ASP  26   7.048   6.767  -5.483
  199    HA   ASP  26           HA       ASP  26   6.564   4.444  -6.945
  200    HB2  ASP  26           HB2      ASP  26   8.801   5.753  -6.015
  201    HB3  ASP  26           HB3      ASP  26   8.842   4.237  -5.117
  202    H    TYR  27           H        TYR  27   5.943   5.086  -3.655
  203    HA   TYR  27           HA       TYR  27   5.957   2.243  -2.923
  204    HB2  TYR  27           HB2      TYR  27   6.524   4.599  -1.504
  205    HB3  TYR  27           HB3      TYR  27   4.986   4.027  -0.859
  206    HD1  TYR  27           HD1      TYR  27   4.868   1.401  -0.437
  207    HD2  TYR  27           HD2      TYR  27   8.491   3.701  -0.629
  208    HE1  TYR  27           HE1      TYR  27   6.055  -0.362   0.840
  209    HE2  TYR  27           HE2      TYR  27   9.677   1.938   0.648
  210    HH   TYR  27           HH       TYR  27   8.202  -1.152   1.321
  211    H    PHE  28           H        PHE  28   3.847   4.564  -4.163
  212    HA   PHE  28           HA       PHE  28   1.445   3.638  -2.871
  213    HB2  PHE  28           HB2      PHE  28   1.508   5.924  -3.614
  214    HB3  PHE  28           HB3      PHE  28   1.951   5.435  -5.250
  215    HD1  PHE  28           HD1      PHE  28  -0.638   4.362  -2.758
  216    HD2  PHE  28           HD2      PHE  28   0.210   5.659  -6.760
  217    HE1  PHE  28           HE1      PHE  28  -3.030   4.125  -3.340
  218    HE2  PHE  28           HE2      PHE  28  -2.183   5.422  -7.345
  219    HZ   PHE  28           HZ       PHE  28  -3.810   4.655  -5.637
  220    H    TYR  29           H        TYR  29   3.027   3.200  -6.014
  221    HA   TYR  29           HA       TYR  29   0.966   1.538  -7.098
  222    HB2  TYR  29           HB2      TYR  29   3.634   2.482  -7.912
  223    HB3  TYR  29           HB3      TYR  29   3.205   0.885  -8.525
  224    HD1  TYR  29           HD1      TYR  29   0.619   0.736  -9.321
  225    HD2  TYR  29           HD2      TYR  29   3.013   4.299  -9.225
  226    HE1  TYR  29           HE1      TYR  29  -0.871   1.782 -11.005
  227    HE2  TYR  29           HE2      TYR  29   1.524   5.346 -10.909
  228    HH   TYR  29           HH       TYR  29  -1.470   4.309 -11.608
  229    H    GLU  30           H        GLU  30   3.761   1.025  -5.093
  230    HA   GLU  30           HA       GLU  30   4.144  -1.741  -5.517
  231    HB2  GLU  30           HB2      GLU  30   4.904   0.243  -3.448
  232    HB3  GLU  30           HB3      GLU  30   4.897  -1.447  -2.940
  233    HG2  GLU  30           HG2      GLU  30   6.595  -2.036  -4.386
  234    HG3  GLU  30           HG3      GLU  30   6.169  -0.794  -5.561
  235    H    CYS  31           H        CYS  31   1.606  -0.017  -4.062
  236    HA   CYS  31           HA       CYS  31   0.752  -2.268  -2.388
  237    HB2  CYS  31           HB2      CYS  31   0.581  -0.043  -1.408
  238    HB3  CYS  31           HB3      CYS  31  -0.408   0.503  -2.762
  239    H    CYS  32           H        CYS  32  -0.253  -0.439  -5.243
  240    HA   CYS  32           HA       CYS  32  -2.697  -1.932  -5.582
  241    HB2  CYS  32           HB2      CYS  32  -1.240   0.183  -7.113
  242    HB3  CYS  32           HB3      CYS  32  -2.459  -0.777  -7.949
  243    H    THR  33           H        THR  33   0.487  -2.720  -6.029
  244    HA   THR  33           HA       THR  33   0.416  -4.073  -8.533
  245    HB   THR  33           HB       THR  33   2.265  -5.237  -6.619
  246    HG1  THR  33           HG1      THR  33   3.384  -3.049  -6.596
  247   HG21  THR  33          HG21      THR  33   2.681  -3.463  -9.042
  248   HG22  THR  33          HG22      THR  33   2.497  -5.216  -9.097
  249   HG23  THR  33          HG23      THR  33   3.891  -4.501  -8.287
  250    H    SER  34           H        SER  34   1.348  -6.599  -8.068
  251    HA   SER  34           HA       SER  34  -0.849  -8.204  -7.953
  252    HB2  SER  34           HB2      SER  34   0.595 -10.013  -7.800
  253    HB3  SER  34           HB3      SER  34   1.688  -8.754  -8.368
  254    HG   SER  34           HG       SER  34   2.707  -9.570  -6.637
  255    H    GLU  35           H        GLU  35  -1.951  -9.397  -6.394
  256    HA   GLU  35           HA       GLU  35  -2.517  -8.181  -3.958
  257    HB2  GLU  35           HB2      GLU  35  -2.829 -11.053  -4.850
  258    HB3  GLU  35           HB3      GLU  35  -3.461 -10.445  -3.319
  259    HG2  GLU  35           HG2      GLU  35  -4.655  -8.645  -4.665
  260    HG3  GLU  35           HG3      GLU  35  -4.211  -9.552  -6.111
  261    H    SER  36           H        SER  36   0.182 -10.068  -4.870
  262    HA   SER  36           HA       SER  36   0.883 -11.084  -2.286
  263    HB2  SER  36           HB2      SER  36   1.693 -11.838  -4.652
  264    HB3  SER  36           HB3      SER  36   2.884 -10.555  -4.463
  265    HG   SER  36           HG       SER  36   2.515 -12.916  -2.988
  266    H    THR  37           H        THR  37   2.227  -8.441  -4.280
  267    HA   THR  37           HA       THR  37   3.956  -7.403  -2.325
  268    HB   THR  37           HB       THR  37   2.589  -5.648  -4.345
  269    HG1  THR  37           HG1      THR  37   3.311  -6.862  -5.877
  270   HG21  THR  37          HG21      THR  37   4.616  -5.214  -2.559
  271   HG22  THR  37          HG22      THR  37   4.410  -4.318  -4.063
  272   HG23  THR  37          HG23      THR  37   5.518  -5.688  -3.998
  273    H    PHE  38           H        PHE  38   0.531  -7.136  -2.749
  274    HA   PHE  38           HA       PHE  38   0.079  -4.782  -1.222
  275    HB2  PHE  38           HB2      PHE  38  -1.494  -6.307  -2.785
  276    HB3  PHE  38           HB3      PHE  38  -1.965  -6.936  -1.206
  277    HD1  PHE  38           HD1      PHE  38  -1.681  -4.559   0.517
  278    HD2  PHE  38           HD2      PHE  38  -3.273  -4.924  -3.455
  279    HE1  PHE  38           HE1      PHE  38  -3.087  -2.551   0.897
  280    HE2  PHE  38           HE2      PHE  38  -4.679  -2.917  -3.077
  281    HZ   PHE  38           HZ       PHE  38  -4.587  -1.730  -0.902
  282    H    LYS  39           H        LYS  39  -0.480  -8.201  -0.357
  283    HA   LYS  39           HA       LYS  39  -0.983  -7.861   2.343
  284    HB2  LYS  39           HB2      LYS  39  -0.256 -10.057   0.593
  285    HB3  LYS  39           HB3      LYS  39   0.496 -10.235   2.178
  286    HG2  LYS  39           HG2      LYS  39  -1.688 -11.284   2.259
  287    HG3  LYS  39           HG3      LYS  39  -1.751  -9.807   3.221
  288    HD2  LYS  39           HD2      LYS  39  -3.292  -8.872   1.861
  289    HD3  LYS  39           HD3      LYS  39  -2.389  -9.318   0.412
  290    HE2  LYS  39           HE2      LYS  39  -4.641 -10.414   0.548
  291    HE3  LYS  39           HE3      LYS  39  -3.308 -11.567   0.468
  292    HZ1  LYS  39           HZ1      LYS  39  -3.424 -11.904   2.806
  293    HZ2  LYS  39           HZ2      LYS  39  -4.996 -12.082   2.188
  294    HZ3  LYS  39           HZ3      LYS  39  -4.556 -10.656   3.000
  295    H    LYS  40           H        LYS  40   1.961  -7.428   0.637
  296    HA   LYS  40           HA       LYS  40   3.712  -7.836   2.892
  297    HB2  LYS  40           HB2      LYS  40   4.013  -6.921   0.070
  298    HB3  LYS  40           HB3      LYS  40   5.273  -6.478   1.224
  299    HG2  LYS  40           HG2      LYS  40   5.632  -8.797   1.819
  300    HG3  LYS  40           HG3      LYS  40   4.253  -9.306   0.845
  301    HD2  LYS  40           HD2      LYS  40   6.475  -9.658  -0.282
  302    HD3  LYS  40           HD3      LYS  40   5.367  -8.636  -1.196
  303    HE2  LYS  40           HE2      LYS  40   6.535  -6.669  -0.661
  304    HE3  LYS  40           HE3      LYS  40   7.332  -7.411   0.726
  305    HZ1  LYS  40           HZ1      LYS  40   7.966  -7.635  -2.124
  306    HZ2  LYS  40           HZ2      LYS  40   8.280  -8.973  -1.126
  307    HZ3  LYS  40           HZ3      LYS  40   9.007  -7.474  -0.794
  308    H    CYS  41           H        CYS  41   2.003  -5.143   1.437
  309    HA   CYS  41           HA       CYS  41   3.436  -3.088   2.829
  310    HB2  CYS  41           HB2      CYS  41   1.718  -3.067   0.729
  311    HB3  CYS  41           HB3      CYS  41   0.637  -2.565   2.029
  312    H    GLN  42           H        GLN  42   0.771  -5.185   3.557
  313    HA   GLN  42           HA       GLN  42  -0.260  -3.667   5.764
  314    HB2  GLN  42           HB2      GLN  42  -1.536  -5.398   4.420
  315    HB3  GLN  42           HB3      GLN  42  -0.598  -6.629   5.268
  316    HG2  GLN  42           HG2      GLN  42  -1.461  -5.936   7.400
  317    HG3  GLN  42           HG3      GLN  42  -2.198  -4.497   6.699
  318   HE21  GLN  42          HE21      GLN  42  -4.161  -4.783   5.408
  319   HE22  GLN  42          HE22      GLN  42  -5.047  -6.228   5.471
  320    H    THR  43           H        THR  43   1.822  -6.538   5.458
  321    HA   THR  43           HA       THR  43   2.237  -6.861   8.256
  322    HB   THR  43           HB       THR  43   3.840  -7.822   5.875
  323    HG1  THR  43           HG1      THR  43   1.781  -8.869   7.487
  324   HG21  THR  43          HG21      THR  43   5.322  -7.828   7.754
  325   HG22  THR  43          HG22      THR  43   4.728  -9.480   7.586
  326   HG23  THR  43          HG23      THR  43   4.058  -8.425   8.830
  327    H    MET  44           H        MET  44   3.896  -5.064   5.723
  328    HA   MET  44           HA       MET  44   6.187  -4.394   7.307
  329    HB2  MET  44           HB2      MET  44   5.092  -3.612   4.654
  330    HB3  MET  44           HB3      MET  44   6.205  -2.482   5.428
  331    HG2  MET  44           HG2      MET  44   7.991  -3.899   5.235
  332    HG3  MET  44           HG3      MET  44   7.006  -5.338   5.495
  333    HE1  MET  44           HE1      MET  44   9.358  -4.221   3.436
  334    HE2  MET  44           HE2      MET  44   9.015  -5.038   1.913
  335    HE3  MET  44           HE3      MET  44   9.035  -5.960   3.414
  336    H    LEU  45           H        LEU  45   3.008  -3.029   6.833
  337    HA   LEU  45           HA       LEU  45   3.376  -0.407   7.680
  338    HB2  LEU  45           HB2      LEU  45   1.123  -2.326   7.652
  339    HB3  LEU  45           HB3      LEU  45   0.966  -0.978   8.778
  340    HG   LEU  45           HG       LEU  45   1.688  -0.648   5.855
  341   HD11  LEU  45          HD11      LEU  45  -0.955  -0.687   7.293
  342   HD12  LEU  45          HD12      LEU  45  -0.525  -1.409   5.743
  343   HD13  LEU  45          HD13      LEU  45  -0.741   0.336   5.872
  344   HD21  LEU  45          HD21      LEU  45   2.318   1.371   6.713
  345   HD22  LEU  45          HD22      LEU  45   1.402   1.131   8.200
  346   HD23  LEU  45          HD23      LEU  45   0.584   1.694   6.743
  347    H    HIS  46           H        HIS  46   2.818  -3.327   9.627
  348    HA   HIS  46           HA       HIS  46   4.407  -2.484  11.789
  349    HB2  HIS  46           HB2      HIS  46   2.557  -0.819  12.054
  350    HB3  HIS  46           HB3      HIS  46   1.442  -2.163  12.303
  351    HD1  HIS  46           HD1      HIS  46   1.039  -2.518  14.729
  352    HD2  HIS  46           HD2      HIS  46   4.968  -1.335  13.998
  353    HE1  HIS  46           HE1      HIS  46   2.204  -2.475  16.978
  354    H    GLN  47           H        GLN  47   4.283  -4.835  10.466
  355    HA   GLN  47           HA       GLN  47   4.119  -7.104  10.764
  356    HB2  GLN  47           HB2      GLN  47   3.616  -6.359  13.653
  357    HB3  GLN  47           HB3      GLN  47   4.161  -7.923  13.049
  358    HG2  GLN  47           HG2      GLN  47   5.817  -5.688  12.118
  359    HG3  GLN  47           HG3      GLN  47   5.819  -5.871  13.871
  360   HE21  GLN  47          HE21      GLN  47   6.110  -7.937  10.920
  361   HE22  GLN  47          HE22      GLN  47   7.270  -8.977  11.594
  Start of MODEL   14
    1    H1   ALA   1           H1       ALA   1  -9.245   4.019 -14.674
    2    H2   ALA   1           H2       ALA   1  -9.105   2.714 -13.594
    3    H3   ALA   1           H3       ALA   1  -9.615   4.233 -13.033
    4    HA   ALA   1           HA       ALA   1 -11.724   3.869 -13.575
    5    HB1  ALA   1           HB1      ALA   1 -10.907   2.425 -16.098
    6    HB2  ALA   1           HB2      ALA   1 -10.892   4.186 -15.994
    7    HB3  ALA   1           HB3      ALA   1 -12.403   3.302 -15.777
    8    H    ASP   2           H        ASP   2 -11.472   2.414 -11.722
    9    HA   ASP   2           HA       ASP   2 -11.676   0.396 -10.636
   10    HB2  ASP   2           HB2      ASP   2 -13.116  -0.610 -13.073
   11    HB3  ASP   2           HB3      ASP   2 -13.457  -0.927 -11.374
   12    H    ASP   3           H        ASP   3  -9.318   0.746 -12.329
   13    HA   ASP   3           HA       ASP   3  -8.721  -1.556 -13.835
   14    HB2  ASP   3           HB2      ASP   3  -6.418  -0.869 -13.673
   15    HB3  ASP   3           HB3      ASP   3  -7.409   0.582 -13.830
   16    H    LYS   4           H        LYS   4  -7.694  -0.751 -10.508
   17    HA   LYS   4           HA       LYS   4  -7.976  -3.562  -9.753
   18    HB2  LYS   4           HB2      LYS   4  -5.368  -2.052  -9.748
   19    HB3  LYS   4           HB3      LYS   4  -5.653  -3.412  -8.661
   20    HG2  LYS   4           HG2      LYS   4  -6.339  -4.744 -10.731
   21    HG3  LYS   4           HG3      LYS   4  -5.666  -3.421 -11.684
   22    HD2  LYS   4           HD2      LYS   4  -3.568  -3.747 -10.133
   23    HD3  LYS   4           HD3      LYS   4  -4.255  -5.349  -9.865
   24    HE2  LYS   4           HE2      LYS   4  -4.475  -5.210 -12.556
   25    HE3  LYS   4           HE3      LYS   4  -3.053  -4.193 -12.322
   26    HZ1  LYS   4           HZ1      LYS   4  -3.285  -6.823 -11.001
   27    HZ2  LYS   4           HZ2      LYS   4  -1.886  -5.914 -11.323
   28    HZ3  LYS   4           HZ3      LYS   4  -2.708  -6.693 -12.591
   29    H    CYS   5           H        CYS   5  -7.230  -0.236  -8.845
   30    HA   CYS   5           HA       CYS   5  -8.068  -0.804  -6.080
   31    HB2  CYS   5           HB2      CYS   5  -7.118   1.904  -6.734
   32    HB3  CYS   5           HB3      CYS   5  -6.661   0.836  -5.405
   33    H    GLU   6           H        GLU   6  -8.612   1.524  -8.720
   34    HA   GLU   6           HA       GLU   6 -10.651   3.027  -7.594
   35    HB2  GLU   6           HB2      GLU   6 -10.306   2.153 -10.471
   36    HB3  GLU   6           HB3      GLU   6 -11.404   3.424  -9.936
   37    HG2  GLU   6           HG2      GLU   6  -9.684   4.866 -10.117
   38    HG3  GLU   6           HG3      GLU   6  -8.945   4.048  -8.743
   39    H    ASP   7           H        ASP   7 -10.649  -0.277  -8.303
   40    HA   ASP   7           HA       ASP   7 -13.488  -0.538  -8.816
   41    HB2  ASP   7           HB2      ASP   7 -11.929  -2.135  -9.811
   42    HB3  ASP   7           HB3      ASP   7 -11.362  -2.608  -8.211
   43    H    SER   8           H        SER   8 -11.315  -0.672  -6.094
   44    HA   SER   8           HA       SER   8 -13.635  -1.010  -4.308
   45    HB2  SER   8           HB2      SER   8 -12.656  -3.176  -4.259
   46    HB3  SER   8           HB3      SER   8 -11.022  -2.519  -4.220
   47    HG   SER   8           HG       SER   8 -12.995  -2.558  -2.201
   48    H    LEU   9           H        LEU   9 -13.731   1.003  -3.469
   49    HA   LEU   9           HA       LEU   9 -11.584   2.755  -3.074
   50    HB2  LEU   9           HB2      LEU   9 -14.109   3.241  -3.023
   51    HB3  LEU   9           HB3      LEU   9 -14.038   2.749  -1.330
   52    HG   LEU   9           HG       LEU   9 -11.953   4.419  -1.325
   53   HD11  LEU   9          HD11      LEU   9 -11.968   6.057  -2.935
   54   HD12  LEU   9          HD12      LEU   9 -13.719   5.983  -3.141
   55   HD13  LEU   9          HD13      LEU   9 -12.691   4.765  -3.894
   56   HD21  LEU   9          HD21      LEU   9 -13.692   6.254  -0.750
   57   HD22  LEU   9          HD22      LEU   9 -13.724   4.772   0.205
   58   HD23  LEU   9          HD23      LEU   9 -14.903   5.015  -1.084
   59    H    ARG  10           H        ARG  10 -13.059   0.394  -0.878
   60    HA   ARG  10           HA       ARG  10 -11.688   1.072   1.463
   61    HB2  ARG  10           HB2      ARG  10 -13.584  -0.693   0.993
   62    HB3  ARG  10           HB3      ARG  10 -12.222  -1.800   0.814
   63    HG2  ARG  10           HG2      ARG  10 -11.429  -1.311   3.031
   64    HG3  ARG  10           HG3      ARG  10 -12.575   0.019   3.208
   65    HD2  ARG  10           HD2      ARG  10 -13.071  -2.418   4.205
   66    HD3  ARG  10           HD3      ARG  10 -14.355  -1.378   3.594
   67    HE   ARG  10           HE       ARG  10 -13.182  -3.089   1.576
   68   HH11  ARG  10          HH21      ARG  10 -15.533  -2.763   4.094
   69   HH12  ARG  10          HH22      ARG  10 -16.587  -3.983   3.458
   70   HH21  ARG  10          HH11      ARG  10 -14.554  -4.688   0.736
   71   HH22  ARG  10          HH12      ARG  10 -16.030  -5.074   1.555
   72    H    ARG  11           H        ARG  11 -10.449  -0.103  -1.452
   73    HA   ARG  11           HA       ARG  11  -8.150  -1.436  -0.233
   74    HB2  ARG  11           HB2      ARG  11  -9.497  -1.644  -2.717
   75    HB3  ARG  11           HB3      ARG  11  -7.876  -1.050  -3.069
   76    HG2  ARG  11           HG2      ARG  11  -7.645  -3.408  -3.059
   77    HG3  ARG  11           HG3      ARG  11  -7.040  -2.901  -1.484
   78    HD2  ARG  11           HD2      ARG  11  -9.903  -3.316  -1.375
   79    HD3  ARG  11           HD3      ARG  11  -9.098  -4.756  -1.992
   80    HE   ARG  11           HE       ARG  11  -9.031  -3.821   0.695
   81   HH11  ARG  11          HH21      ARG  11  -7.090  -5.224  -1.803
   82   HH12  ARG  11          HH22      ARG  11  -6.016  -6.029  -0.706
   83   HH21  ARG  11          HH11      ARG  11  -7.626  -4.868   2.138
   84   HH22  ARG  11          HH12      ARG  11  -6.319  -5.825   1.525
   85    H    GLU  12           H        GLU  12  -8.898   1.456  -2.146
   86    HA   GLU  12           HA       GLU  12  -6.226   2.377  -2.394
   87    HB2  GLU  12           HB2      GLU  12  -8.248   3.140  -3.736
   88    HB3  GLU  12           HB3      GLU  12  -8.693   4.117  -2.337
   89    HG2  GLU  12           HG2      GLU  12  -7.305   5.715  -3.100
   90    HG3  GLU  12           HG3      GLU  12  -5.960   4.629  -2.756
   91    H    ILE  13           H        ILE  13  -8.519   2.464   0.192
   92    HA   ILE  13           HA       ILE  13  -7.447   4.690   1.615
   93    HB   ILE  13           HB       ILE  13  -9.149   2.337   2.438
   94   HG12  ILE  13          HG12      ILE  13  -9.961   4.324   0.960
   95   HG13  ILE  13          HG13      ILE  13 -10.938   3.868   2.355
   96   HG21  ILE  13          HG21      ILE  13  -9.441   4.120   4.464
   97   HG22  ILE  13          HG22      ILE  13  -7.738   4.363   4.078
   98   HG23  ILE  13          HG23      ILE  13  -8.320   2.760   4.524
   99   HD11  ILE  13          HD11      ILE  13 -10.457   5.790   3.487
  100   HD12  ILE  13          HD12      ILE  13 -10.109   6.412   1.874
  101   HD13  ILE  13          HD13      ILE  13  -8.795   5.839   2.899
  102    H    ALA  14           H        ALA  14  -6.796   1.220   1.614
  103    HA   ALA  14           HA       ALA  14  -4.965   1.358   3.838
  104    HB1  ALA  14           HB1      ALA  14  -5.841  -0.761   3.727
  105    HB2  ALA  14           HB2      ALA  14  -4.379  -1.012   2.772
  106    HB3  ALA  14           HB3      ALA  14  -5.925  -0.750   1.965
  107    H    CYS  15           H        CYS  15  -4.775   1.839   0.428
  108    HA   CYS  15           HA       CYS  15  -1.906   1.375   0.306
  109    HB2  CYS  15           HB2      CYS  15  -3.943   2.318  -1.710
  110    HB3  CYS  15           HB3      CYS  15  -2.215   2.284  -2.056
  111    H    THR  16           H        THR  16  -4.074   3.992   0.913
  112    HA   THR  16           HA       THR  16  -2.324   6.124   0.157
  113    HB   THR  16           HB       THR  16  -4.494   6.289   2.248
  114    HG1  THR  16           HG1      THR  16  -4.695   6.310  -0.580
  115   HG21  THR  16          HG21      THR  16  -4.700   8.552   0.922
  116   HG22  THR  16          HG22      THR  16  -3.052   8.180   0.417
  117   HG23  THR  16          HG23      THR  16  -3.430   8.358   2.130
  118    H    LYS  17           H        LYS  17  -2.837   4.237   3.074
  119    HA   LYS  17           HA       LYS  17  -1.169   5.902   4.730
  120    HB2  LYS  17           HB2      LYS  17  -2.462   3.202   5.056
  121    HB3  LYS  17           HB3      LYS  17  -1.321   3.819   6.251
  122    HG2  LYS  17           HG2      LYS  17  -3.390   4.561   7.071
  123    HG3  LYS  17           HG3      LYS  17  -2.787   5.970   6.205
  124    HD2  LYS  17           HD2      LYS  17  -4.102   5.254   4.207
  125    HD3  LYS  17           HD3      LYS  17  -4.768   3.926   5.159
  126    HE2  LYS  17           HE2      LYS  17  -6.289   5.893   5.113
  127    HE3  LYS  17           HE3      LYS  17  -5.743   5.516   6.747
  128    HZ1  LYS  17           HZ1      LYS  17  -5.490   7.920   5.418
  129    HZ2  LYS  17           HZ2      LYS  17  -3.923   7.266   5.466
  130    HZ3  LYS  17           HZ3      LYS  17  -4.794   7.495   6.907
  131    H    CYS  18           H        CYS  18  -0.648   3.474   2.396
  132    HA   CYS  18           HA       CYS  18   1.894   2.572   3.488
  133    HB2  CYS  18           HB2      CYS  18   0.037   1.632   1.523
  134    HB3  CYS  18           HB3      CYS  18   1.620   1.807   0.766
  135    H    ARG  19           H        ARG  19   0.723   4.690   0.909
  136    HA   ARG  19           HA       ARG  19   3.335   5.221  -0.164
  137    HB2  ARG  19           HB2      ARG  19   2.257   6.725  -1.626
  138    HB3  ARG  19           HB3      ARG  19   1.066   5.455  -1.354
  139    HG2  ARG  19           HG2      ARG  19  -0.268   7.293  -0.948
  140    HG3  ARG  19           HG3      ARG  19   0.375   7.045   0.674
  141    HD2  ARG  19           HD2      ARG  19   1.078   9.188   0.562
  142    HD3  ARG  19           HD3      ARG  19   2.326   8.601  -0.531
  143    HE   ARG  19           HE       ARG  19   0.178   9.033  -2.170
  144   HH11  ARG  19          HH21      ARG  19   1.893  10.891   0.194
  145   HH12  ARG  19          HH22      ARG  19   1.587  12.411  -0.578
  146   HH21  ARG  19          HH11      ARG  19  -0.229  11.026  -3.186
  147   HH22  ARG  19          HH12      ARG  19   0.386  12.488  -2.488
  148    H    ASP  20           H        ASP  20   1.271   6.673   2.269
  149    HA   ASP  20           HA       ASP  20   2.737   9.117   2.513
  150    HB2  ASP  20           HB2      ASP  20   0.313   8.329   3.385
  151    HB3  ASP  20           HB3      ASP  20   1.248   8.079   4.858
  152    H    ARG  21           H        ARG  21   3.180   5.899   3.692
  153    HA   ARG  21           HA       ARG  21   4.754   6.486   5.986
  154    HB2  ARG  21           HB2      ARG  21   3.709   4.277   5.564
  155    HB3  ARG  21           HB3      ARG  21   4.828   4.026   4.225
  156    HG2  ARG  21           HG2      ARG  21   6.696   4.487   5.948
  157    HG3  ARG  21           HG3      ARG  21   5.451   4.228   7.170
  158    HD2  ARG  21           HD2      ARG  21   5.116   1.988   6.531
  159    HD3  ARG  21           HD3      ARG  21   5.870   2.230   4.957
  160    HE   ARG  21           HE       ARG  21   7.633   2.610   7.239
  161   HH11  ARG  21          HH21      ARG  21   6.325   0.472   4.855
  162   HH12  ARG  21          HH22      ARG  21   7.645  -0.647   4.934
  163   HH21  ARG  21          HH11      ARG  21   9.368   1.149   7.348
  164   HH22  ARG  21          HH12      ARG  21   9.368  -0.264   6.346
  165    H    VAL  22           H        VAL  22   5.619   5.644   2.635
  166    HA   VAL  22           HA       VAL  22   8.408   6.389   3.188
  167    HB   VAL  22           HB       VAL  22   7.309   5.224   0.630
  168   HG11  VAL  22          HG11      VAL  22   9.819   6.212   1.382
  169   HG12  VAL  22          HG12      VAL  22   9.470   5.199  -0.018
  170   HG13  VAL  22          HG13      VAL  22   9.979   4.460   1.500
  171   HG21  VAL  22          HG21      VAL  22   8.442   3.104   1.854
  172   HG22  VAL  22          HG22      VAL  22   6.725   3.474   2.004
  173   HG23  VAL  22          HG23      VAL  22   7.846   3.962   3.274
  174    H    ARG  23           H        ARG  23   5.589   7.781   2.081
  175    HA   ARG  23           HA       ARG  23   5.089   9.634   0.802
  176    HB2  ARG  23           HB2      ARG  23   7.831  10.611   1.581
  177    HB3  ARG  23           HB3      ARG  23   6.354  11.549   1.354
  178    HG2  ARG  23           HG2      ARG  23   5.392  10.124   3.292
  179    HG3  ARG  23           HG3      ARG  23   7.072   9.704   3.628
  180    HD2  ARG  23           HD2      ARG  23   5.750  12.405   3.743
  181    HD3  ARG  23           HD3      ARG  23   6.714  11.598   4.975
  182    HE   ARG  23           HE       ARG  23   7.722  13.105   2.690
  183   HH11  ARG  23          HH21      ARG  23   8.317  10.865   5.260
  184   HH12  ARG  23          HH22      ARG  23  10.026  11.146   5.295
  185   HH21  ARG  23          HH11      ARG  23   9.961  13.480   2.730
  186   HH22  ARG  23          HH12      ARG  23  10.957  12.628   3.863
  187    H    THR  24           H        THR  24   5.861   7.665  -0.857
  188    HA   THR  24           HA       THR  24   7.408   9.123  -2.898
  189    HB   THR  24           HB       THR  24   7.763   6.158  -2.594
  190    HG1  THR  24           HG1      THR  24   9.638   7.882  -1.485
  191   HG21  THR  24          HG21      THR  24   9.996   6.815  -3.600
  192   HG22  THR  24          HG22      THR  24   9.354   8.449  -3.765
  193   HG23  THR  24          HG23      THR  24   8.597   7.113  -4.632
  194    H    ASP  25           H        ASP  25   6.218   9.314  -4.674
  195    HA   ASP  25           HA       ASP  25   3.727   8.109  -5.082
  196    HB2  ASP  25           HB2      ASP  25   4.685  10.176  -6.223
  197    HB3  ASP  25           HB3      ASP  25   5.537   9.069  -7.298
  198    H    ASP  26           H        ASP  26   6.562   6.531  -4.947
  199    HA   ASP  26           HA       ASP  26   5.959   4.650  -7.131
  200    HB2  ASP  26           HB2      ASP  26   8.318   5.697  -6.597
  201    HB3  ASP  26           HB3      ASP  26   8.378   4.417  -5.386
  202    H    TYR  27           H        TYR  27   6.096   4.944  -3.650
  203    HA   TYR  27           HA       TYR  27   5.885   2.114  -3.146
  204    HB2  TYR  27           HB2      TYR  27   6.118   4.568  -1.566
  205    HB3  TYR  27           HB3      TYR  27   5.029   3.380  -0.847
  206    HD1  TYR  27           HD2      TYR  27   8.444   3.780  -2.307
  207    HD2  TYR  27           HD1      TYR  27   5.876   1.462   0.241
  208    HE1  TYR  27           HE2      TYR  27  10.392   2.437  -1.563
  209    HE2  TYR  27           HE1      TYR  27   7.824   0.120   0.983
  210    HH   TYR  27           HH       TYR  27  10.296  -0.393  -0.301
  211    H    PHE  28           H        PHE  28   3.713   4.535  -4.111
  212    HA   PHE  28           HA       PHE  28   1.364   3.533  -2.810
  213    HB2  PHE  28           HB2      PHE  28   1.403   5.840  -3.494
  214    HB3  PHE  28           HB3      PHE  28   1.783   5.392  -5.157
  215    HD1  PHE  28           HD2      PHE  28  -0.791   4.958  -2.493
  216    HD2  PHE  28           HD1      PHE  28   0.070   4.945  -6.697
  217    HE1  PHE  28           HE2      PHE  28  -3.204   4.729  -2.984
  218    HE2  PHE  28           HE1      PHE  28  -2.341   4.715  -7.193
  219    HZ   PHE  28           HZ       PHE  28  -3.988   4.608  -5.338
  220    H    TYR  29           H        TYR  29   2.666   3.336  -6.121
  221    HA   TYR  29           HA       TYR  29   0.620   1.656  -7.133
  222    HB2  TYR  29           HB2      TYR  29   3.206   2.690  -8.037
  223    HB3  TYR  29           HB3      TYR  29   2.865   1.067  -8.637
  224    HD1  TYR  29           HD1      TYR  29   1.478   4.516  -8.378
  225    HD2  TYR  29           HD2      TYR  29   1.239   0.698 -10.329
  226    HE1  TYR  29           HE1      TYR  29  -0.106   5.462 -10.034
  227    HE2  TYR  29           HE2      TYR  29  -0.346   1.642 -11.986
  228    HH   TYR  29           HH       TYR  29  -0.760   4.195 -12.883
  229    H    GLU  30           H        GLU  30   3.503   1.059  -5.280
  230    HA   GLU  30           HA       GLU  30   3.747  -1.727  -5.839
  231    HB2  GLU  30           HB2      GLU  30   4.832   0.137  -3.761
  232    HB3  GLU  30           HB3      GLU  30   4.993  -1.605  -3.527
  233    HG2  GLU  30           HG2      GLU  30   6.083  -1.808  -5.725
  234    HG3  GLU  30           HG3      GLU  30   5.912  -0.072  -5.976
  235    H    CYS  31           H        CYS  31   1.501   0.070  -4.038
  236    HA   CYS  31           HA       CYS  31   0.910  -2.031  -2.114
  237    HB2  CYS  31           HB2      CYS  31   0.673   0.278  -1.398
  238    HB3  CYS  31           HB3      CYS  31  -0.459   0.601  -2.710
  239    H    CYS  32           H        CYS  32  -0.642  -0.557  -4.955
  240    HA   CYS  32           HA       CYS  32  -2.863  -2.414  -4.847
  241    HB2  CYS  32           HB2      CYS  32  -2.572   0.093  -5.873
  242    HB3  CYS  32           HB3      CYS  32  -2.433  -0.892  -7.330
  243    H    THR  33           H        THR  33   0.274  -2.749  -5.796
  244    HA   THR  33           HA       THR  33   0.176  -3.990  -8.300
  245    HB   THR  33           HB       THR  33   2.064  -5.286  -6.509
  246    HG1  THR  33           HG1      THR  33   2.100  -2.456  -6.654
  247   HG21  THR  33          HG21      THR  33   3.609  -4.624  -8.174
  248   HG22  THR  33          HG22      THR  33   2.619  -3.250  -8.664
  249   HG23  THR  33          HG23      THR  33   2.107  -4.891  -9.058
  250    H    SER  34           H        SER  34   1.210  -6.533  -8.003
  251    HA   SER  34           HA       SER  34  -0.982  -8.180  -8.036
  252    HB2  SER  34           HB2      SER  34   0.891  -9.916  -7.133
  253    HB3  SER  34           HB3      SER  34   0.801  -9.357  -8.801
  254    HG   SER  34           HG       SER  34   2.890  -9.078  -7.920
  255    H    GLU  35           H        GLU  35  -0.883 -10.247  -6.365
  256    HA   GLU  35           HA       GLU  35  -2.067  -9.204  -3.965
  257    HB2  GLU  35           HB2      GLU  35  -1.502 -11.987  -4.980
  258    HB3  GLU  35           HB3      GLU  35  -2.183 -11.694  -3.379
  259    HG2  GLU  35           HG2      GLU  35  -4.093 -11.964  -4.723
  260    HG3  GLU  35           HG3      GLU  35  -3.914 -10.212  -4.631
  261    H    SER  36           H        SER  36   0.876 -11.072  -4.695
  262    HA   SER  36           HA       SER  36   1.818 -11.427  -2.101
  263    HB2  SER  36           HB2      SER  36   3.707 -10.793  -4.344
  264    HB3  SER  36           HB3      SER  36   3.872 -11.978  -3.052
  265    HG   SER  36           HG       SER  36   1.656 -12.418  -4.551
  266    H    THR  37           H        THR  37   2.854  -8.868  -4.372
  267    HA   THR  37           HA       THR  37   4.340  -7.356  -2.577
  268    HB   THR  37           HB       THR  37   2.959  -5.594  -4.374
  269    HG1  THR  37           HG1      THR  37   3.423  -8.184  -5.242
  270   HG21  THR  37          HG21      THR  37   5.265  -5.572  -5.429
  271   HG22  THR  37          HG22      THR  37   5.727  -6.811  -4.263
  272   HG23  THR  37          HG23      THR  37   5.233  -5.213  -3.703
  273    H    PHE  38           H        PHE  38   0.882  -7.590  -2.967
  274    HA   PHE  38           HA       PHE  38   0.116  -5.208  -1.665
  275    HB2  PHE  38           HB2      PHE  38  -1.218  -7.274  -2.883
  276    HB3  PHE  38           HB3      PHE  38  -1.621  -7.530  -1.185
  277    HD1  PHE  38           HD1      PHE  38  -1.812  -4.958   0.013
  278    HD2  PHE  38           HD2      PHE  38  -2.930  -6.119  -3.967
  279    HE1  PHE  38           HE1      PHE  38  -3.423  -3.076  -0.083
  280    HE2  PHE  38           HE2      PHE  38  -4.542  -4.236  -4.064
  281    HZ   PHE  38           HZ       PHE  38  -4.788  -2.715  -2.121
  282    H    LYS  39           H        LYS  39   0.096  -8.525  -0.325
  283    HA   LYS  39           HA       LYS  39  -0.360  -7.922   2.320
  284    HB2  LYS  39           HB2      LYS  39   1.381 -10.077   1.110
  285    HB3  LYS  39           HB3      LYS  39   0.990 -10.003   2.828
  286    HG2  LYS  39           HG2      LYS  39  -1.447  -9.663   1.393
  287    HG3  LYS  39           HG3      LYS  39  -0.610 -11.042   0.683
  288    HD2  LYS  39           HD2      LYS  39  -0.237 -11.856   3.088
  289    HD3  LYS  39           HD3      LYS  39  -1.431 -10.646   3.563
  290    HE2  LYS  39           HE2      LYS  39  -2.897 -11.719   1.684
  291    HE3  LYS  39           HE3      LYS  39  -1.803 -13.092   1.852
  292    HZ1  LYS  39           HZ1      LYS  39  -2.340 -12.601   4.397
  293    HZ2  LYS  39           HZ2      LYS  39  -3.269 -13.659   3.445
  294    HZ3  LYS  39           HZ3      LYS  39  -3.794 -12.064   3.706
  295    H    LYS  40           H        LYS  40   2.710  -7.828   0.561
  296    HA   LYS  40           HA       LYS  40   4.511  -7.442   2.616
  297    HB2  LYS  40           HB2      LYS  40   4.455  -7.001  -0.215
  298    HB3  LYS  40           HB3      LYS  40   5.203  -5.603   0.557
  299    HG2  LYS  40           HG2      LYS  40   6.814  -7.004   1.688
  300    HG3  LYS  40           HG3      LYS  40   5.985  -8.468   1.160
  301    HD2  LYS  40           HD2      LYS  40   7.457  -8.449  -0.567
  302    HD3  LYS  40           HD3      LYS  40   6.434  -7.172  -1.226
  303    HE2  LYS  40           HE2      LYS  40   7.833  -5.497   0.020
  304    HE3  LYS  40           HE3      LYS  40   8.914  -6.813   0.479
  305    HZ1  LYS  40           HZ1      LYS  40   8.662  -5.446  -2.033
  306    HZ2  LYS  40           HZ2      LYS  40   8.635  -7.137  -2.197
  307    HZ3  LYS  40           HZ3      LYS  40   9.946  -6.375  -1.430
  308    H    CYS  41           H        CYS  41   2.660  -4.916   0.903
  309    HA   CYS  41           HA       CYS  41   3.543  -2.785   2.565
  310    HB2  CYS  41           HB2      CYS  41   2.098  -2.985   0.218
  311    HB3  CYS  41           HB3      CYS  41   0.892  -2.428   1.378
  312    H    GLN  42           H        GLN  42   0.541  -4.706   2.518
  313    HA   GLN  42           HA       GLN  42  -0.708  -3.433   4.699
  314    HB2  GLN  42           HB2      GLN  42  -1.509  -5.299   2.933
  315    HB3  GLN  42           HB3      GLN  42  -1.186  -6.338   4.322
  316    HG2  GLN  42           HG2      GLN  42  -3.376  -5.735   4.771
  317    HG3  GLN  42           HG3      GLN  42  -2.519  -4.450   5.622
  318   HE21  GLN  42          HE21      GLN  42  -4.746  -3.340   5.155
  319   HE22  GLN  42          HE22      GLN  42  -4.873  -2.500   3.687
  320    H    THR  43           H        THR  43   1.894  -5.694   4.551
  321    HA   THR  43           HA       THR  43   1.622  -6.769   7.189
  322    HB   THR  43           HB       THR  43   4.068  -6.581   5.413
  323    HG1  THR  43           HG1      THR  43   1.962  -8.429   5.693
  324   HG21  THR  43          HG21      THR  43   4.453  -8.766   6.927
  325   HG22  THR  43          HG22      THR  43   3.502  -7.810   8.063
  326   HG23  THR  43          HG23      THR  43   5.013  -7.168   7.421
  327    H    MET  44           H        MET  44   3.459  -4.098   5.763
  328    HA   MET  44           HA       MET  44   4.756  -3.389   8.231
  329    HB2  MET  44           HB2      MET  44   4.562  -2.194   5.491
  330    HB3  MET  44           HB3      MET  44   5.162  -1.208   6.826
  331    HG2  MET  44           HG2      MET  44   7.062  -2.489   7.103
  332    HG3  MET  44           HG3      MET  44   6.280  -3.961   6.526
  333    HE1  MET  44           HE1      MET  44   9.405  -3.025   4.272
  334    HE2  MET  44           HE2      MET  44   8.937  -3.601   5.871
  335    HE3  MET  44           HE3      MET  44   9.182  -1.877   5.600
  336    H    LEU  45           H        LEU  45   1.630  -3.007   7.074
  337    HA   LEU  45           HA       LEU  45   1.143  -0.442   8.380
  338    HB2  LEU  45           HB2      LEU  45  -0.431  -2.273   6.616
  339    HB3  LEU  45           HB3      LEU  45  -1.299  -1.142   7.655
  340    HG   LEU  45           HG       LEU  45   1.006  -0.166   5.991
  341   HD11  LEU  45          HD11      LEU  45  -0.190  -1.059   4.216
  342   HD12  LEU  45          HD12      LEU  45  -0.996   0.499   4.382
  343   HD13  LEU  45          HD13      LEU  45  -1.731  -0.952   5.064
  344   HD21  LEU  45          HD21      LEU  45  -1.580   1.242   6.627
  345   HD22  LEU  45          HD22      LEU  45   0.009   1.939   6.311
  346   HD23  LEU  45          HD23      LEU  45  -0.308   1.128   7.844
  347    H    HIS  46           H        HIS  46   0.733  -3.855   8.965
  348    HA   HIS  46           HA       HIS  46  -0.490  -3.202  11.577
  349    HB2  HIS  46           HB2      HIS  46  -1.223  -5.367   9.618
  350    HB3  HIS  46           HB3      HIS  46  -1.596  -5.518  11.336
  351    HD1  HIS  46           HD1      HIS  46  -3.527  -4.872   8.682
  352    HD2  HIS  46           HD2      HIS  46  -2.543  -2.381  11.877
  353    HE1  HIS  46           HE1      HIS  46  -5.343  -3.112   8.804
  354    H    GLN  47           H        GLN  47   1.823  -5.040   9.755
  355    HA   GLN  47           HA       GLN  47   3.645  -6.274  10.423
  356    HB2  GLN  47           HB2      GLN  47   3.430  -4.363  12.336
  357    HB3  GLN  47           HB3      GLN  47   3.228  -5.819  13.313
  358    HG2  GLN  47           HG2      GLN  47   5.316  -6.729  12.532
  359    HG3  GLN  47           HG3      GLN  47   5.480  -5.455  11.324
  360   HE21  GLN  47          HE21      GLN  47   7.298  -6.139  13.649
  361   HE22  GLN  47          HE22      GLN  47   7.422  -4.699  14.542
  Start of MODEL   15
    1    H1   ALA   1           H1       ALA   1  -9.800   7.396 -11.148
    2    H2   ALA   1           H2       ALA   1  -8.671   7.467 -12.415
    3    H3   ALA   1           H3       ALA   1  -8.925   6.009 -11.581
    4    HA   ALA   1           HA       ALA   1 -11.331   7.090 -12.717
    5    HB1  ALA   1           HB1      ALA   1  -9.309   7.645 -14.330
    6    HB2  ALA   1           HB2      ALA   1 -10.804   6.967 -14.978
    7    HB3  ALA   1           HB3      ALA   1  -9.409   5.923 -14.701
    8    H    ASP   2           H        ASP   2 -11.265   5.298 -10.836
    9    HA   ASP   2           HA       ASP   2 -11.648   3.111 -10.219
   10    HB2  ASP   2           HB2      ASP   2 -12.763   3.005 -13.031
   11    HB3  ASP   2           HB3      ASP   2 -13.132   1.875 -11.730
   12    H    ASP   3           H        ASP   3  -9.038   3.661 -11.346
   13    HA   ASP   3           HA       ASP   3  -8.349   1.466 -13.091
   14    HB2  ASP   3           HB2      ASP   3  -5.960   2.326 -12.182
   15    HB3  ASP   3           HB3      ASP   3  -6.839   3.128 -13.483
   16    H    LYS   4           H        LYS   4  -9.519   0.063 -11.317
   17    HA   LYS   4           HA       LYS   4  -9.260  -1.734  -9.905
   18    HB2  LYS   4           HB2      LYS   4  -6.970  -1.762 -11.268
   19    HB3  LYS   4           HB3      LYS   4  -6.314  -1.338  -9.687
   20    HG2  LYS   4           HG2      LYS   4  -6.322  -3.751  -9.855
   21    HG3  LYS   4           HG3      LYS   4  -7.592  -3.287  -8.722
   22    HD2  LYS   4           HD2      LYS   4  -9.213  -4.136 -10.045
   23    HD3  LYS   4           HD3      LYS   4  -8.552  -3.350 -11.479
   24    HE2  LYS   4           HE2      LYS   4  -7.115  -5.141 -11.960
   25    HE3  LYS   4           HE3      LYS   4  -7.179  -5.759 -10.309
   26    HZ1  LYS   4           HZ1      LYS   4  -9.773  -5.810 -11.146
   27    HZ2  LYS   4           HZ2      LYS   4  -8.726  -7.145 -11.056
   28    HZ3  LYS   4           HZ3      LYS   4  -8.909  -6.302 -12.520
   29    H    CYS   5           H        CYS   5  -7.876   1.347  -9.217
   30    HA   CYS   5           HA       CYS   5  -7.750   0.767  -6.336
   31    HB2  CYS   5           HB2      CYS   5  -6.954   3.337  -7.706
   32    HB3  CYS   5           HB3      CYS   5  -6.475   2.762  -6.109
   33    H    GLU   6           H        GLU   6  -8.559   3.834  -7.899
   34    HA   GLU   6           HA       GLU   6 -10.340   4.849  -6.162
   35    HB2  GLU   6           HB2      GLU   6  -9.647   5.498  -8.705
   36    HB3  GLU   6           HB3      GLU   6 -11.322   5.000  -8.946
   37    HG2  GLU   6           HG2      GLU   6 -11.673   6.496  -6.754
   38    HG3  GLU   6           HG3      GLU   6 -10.231   7.294  -7.381
   39    H    ASP   7           H        ASP   7 -10.837   2.051  -8.143
   40    HA   ASP   7           HA       ASP   7 -13.631   1.871  -8.160
   41    HB2  ASP   7           HB2      ASP   7 -11.834   0.386  -9.315
   42    HB3  ASP   7           HB3      ASP   7 -11.883  -0.551  -7.823
   43    H    SER   8           H        SER   8 -11.327   0.399  -5.860
   44    HA   SER   8           HA       SER   8 -13.548  -0.046  -3.983
   45    HB2  SER   8           HB2      SER   8 -10.705  -1.080  -4.025
   46    HB3  SER   8           HB3      SER   8 -11.863  -1.418  -2.742
   47    HG   SER   8           HG       SER   8 -11.775  -2.312  -5.383
   48    H    LEU   9           H        LEU   9 -13.923   1.791  -2.858
   49    HA   LEU   9           HA       LEU   9 -11.997   3.726  -2.166
   50    HB2  LEU   9           HB2      LEU   9 -14.801   3.266  -1.694
   51    HB3  LEU   9           HB3      LEU   9 -14.025   3.794  -0.202
   52    HG   LEU   9           HG       LEU   9 -13.646   5.193  -2.861
   53   HD11  LEU   9          HD11      LEU   9 -15.143   6.777  -1.037
   54   HD12  LEU   9          HD12      LEU   9 -15.924   5.197  -1.104
   55   HD13  LEU   9          HD13      LEU   9 -15.676   6.123  -2.584
   56   HD21  LEU   9          HD21      LEU   9 -12.083   6.363  -1.737
   57   HD22  LEU   9          HD22      LEU   9 -12.354   5.357  -0.315
   58   HD23  LEU   9          HD23      LEU   9 -13.289   6.836  -0.541
   59    H    ARG  10           H        ARG  10 -12.159   0.605  -1.146
   60    HA   ARG  10           HA       ARG  10 -11.277   1.138   1.602
   61    HB2  ARG  10           HB2      ARG  10 -11.342  -1.630   0.518
   62    HB3  ARG  10           HB3      ARG  10 -11.848  -1.023   2.095
   63    HG2  ARG  10           HG2      ARG  10 -13.812   0.071   0.982
   64    HG3  ARG  10           HG3      ARG  10 -13.341  -0.719  -0.525
   65    HD2  ARG  10           HD2      ARG  10 -13.631  -2.909   0.462
   66    HD3  ARG  10           HD3      ARG  10 -13.901  -2.206   2.054
   67    HE   ARG  10           HE       ARG  10 -16.060  -1.514   1.340
   68   HH11  ARG  10          HH21      ARG  10 -14.224  -3.142  -1.103
   69   HH12  ARG  10          HH22      ARG  10 -15.593  -3.455  -2.116
   70   HH21  ARG  10          HH11      ARG  10 -17.858  -1.925   0.015
   71   HH22  ARG  10          HH12      ARG  10 -17.649  -2.767  -1.483
   72    H    ARG  11           H        ARG  11 -10.164  -0.820  -1.176
   73    HA   ARG  11           HA       ARG  11  -7.601  -1.372  -0.253
   74    HB2  ARG  11           HB2      ARG  11  -8.534  -0.906  -3.095
   75    HB3  ARG  11           HB3      ARG  11  -6.993  -1.640  -2.649
   76    HG2  ARG  11           HG2      ARG  11  -8.140  -3.465  -1.512
   77    HG3  ARG  11           HG3      ARG  11  -9.705  -2.706  -1.809
   78    HD2  ARG  11           HD2      ARG  11  -9.807  -3.826  -3.758
   79    HD3  ARG  11           HD3      ARG  11  -8.450  -2.856  -4.327
   80    HE   ARG  11           HE       ARG  11  -7.541  -5.044  -2.733
   81   HH11  ARG  11          HH21      ARG  11  -8.827  -4.181  -5.828
   82   HH12  ARG  11          HH22      ARG  11  -8.064  -5.492  -6.664
   83   HH21  ARG  11          HH11      ARG  11  -6.538  -6.766  -3.823
   84   HH22  ARG  11          HH12      ARG  11  -6.770  -6.957  -5.529
   85    H    GLU  12           H        GLU  12  -8.834   1.474  -1.942
   86    HA   GLU  12           HA       GLU  12  -6.443   2.782  -2.516
   87    HB2  GLU  12           HB2      GLU  12  -9.169   3.406  -2.618
   88    HB3  GLU  12           HB3      GLU  12  -8.468   4.632  -1.561
   89    HG2  GLU  12           HG2      GLU  12  -6.674   4.978  -3.313
   90    HG3  GLU  12           HG3      GLU  12  -7.612   3.935  -4.381
   91    H    ILE  13           H        ILE  13  -8.349   2.744   0.471
   92    HA   ILE  13           HA       ILE  13  -6.789   4.615   1.908
   93    HB   ILE  13           HB       ILE  13  -8.460   2.305   2.930
   94   HG12  ILE  13          HG12      ILE  13  -9.179   5.239   2.690
   95   HG13  ILE  13          HG13      ILE  13  -9.591   4.048   1.456
   96   HG21  ILE  13          HG21      ILE  13  -7.192   4.703   4.258
   97   HG22  ILE  13          HG22      ILE  13  -7.074   3.007   4.725
   98   HG23  ILE  13          HG23      ILE  13  -8.586   3.883   4.960
   99   HD11  ILE  13          HD11      ILE  13 -10.956   4.606   3.919
  100   HD12  ILE  13          HD12      ILE  13 -10.357   2.948   3.966
  101   HD13  ILE  13          HD13      ILE  13 -11.408   3.468   2.649
  102    H    ALA  14           H        ALA  14  -6.510   1.142   1.404
  103    HA   ALA  14           HA       ALA  14  -4.447   0.735   3.353
  104    HB1  ALA  14           HB1      ALA  14  -5.610  -0.878   1.107
  105    HB2  ALA  14           HB2      ALA  14  -5.583  -1.232   2.834
  106    HB3  ALA  14           HB3      ALA  14  -4.111  -1.400   1.878
  107    H    CYS  15           H        CYS  15  -4.548   2.121   0.265
  108    HA   CYS  15           HA       CYS  15  -1.674   1.657  -0.201
  109    HB2  CYS  15           HB2      CYS  15  -3.753   2.838  -2.057
  110    HB3  CYS  15           HB3      CYS  15  -2.092   2.421  -2.474
  111    H    THR  16           H        THR  16  -3.931   3.967   0.889
  112    HA   THR  16           HA       THR  16  -2.459   6.330   0.154
  113    HB   THR  16           HB       THR  16  -4.582   6.025   2.287
  114    HG1  THR  16           HG1      THR  16  -4.937   6.789  -0.410
  115   HG21  THR  16          HG21      THR  16  -4.184   8.218   2.582
  116   HG22  THR  16          HG22      THR  16  -4.738   8.486   0.930
  117   HG23  THR  16          HG23      THR  16  -3.024   8.232   1.255
  118    H    LYS  17           H        LYS  17  -2.497   4.105   2.831
  119    HA   LYS  17           HA       LYS  17  -0.847   5.856   4.497
  120    HB2  LYS  17           HB2      LYS  17  -2.050   3.121   4.944
  121    HB3  LYS  17           HB3      LYS  17  -1.013   3.934   6.114
  122    HG2  LYS  17           HG2      LYS  17  -3.321   5.478   5.015
  123    HG3  LYS  17           HG3      LYS  17  -3.677   4.196   6.172
  124    HD2  LYS  17           HD2      LYS  17  -1.795   5.270   7.613
  125    HD3  LYS  17           HD3      LYS  17  -2.008   6.675   6.569
  126    HE2  LYS  17           HE2      LYS  17  -4.196   7.053   7.306
  127    HE3  LYS  17           HE3      LYS  17  -4.405   5.389   7.853
  128    HZ1  LYS  17           HZ1      LYS  17  -3.369   5.797   9.796
  129    HZ2  LYS  17           HZ2      LYS  17  -3.875   7.390   9.497
  130    HZ3  LYS  17           HZ3      LYS  17  -2.285   6.918   9.130
  131    H    CYS  18           H        CYS  18  -0.577   3.151   2.352
  132    HA   CYS  18           HA       CYS  18   1.985   2.249   3.293
  133    HB2  CYS  18           HB2      CYS  18   0.047   1.478   1.252
  134    HB3  CYS  18           HB3      CYS  18   1.714   1.340   0.684
  135    H    ARG  19           H        ARG  19   0.837   4.369   0.695
  136    HA   ARG  19           HA       ARG  19   3.387   4.748  -0.521
  137    HB2  ARG  19           HB2      ARG  19   2.329   6.257  -1.912
  138    HB3  ARG  19           HB3      ARG  19   0.943   5.312  -1.367
  139    HG2  ARG  19           HG2      ARG  19   0.685   7.016   0.517
  140    HG3  ARG  19           HG3      ARG  19   1.859   8.010  -0.348
  141    HD2  ARG  19           HD2      ARG  19  -0.845   7.081  -1.331
  142    HD3  ARG  19           HD3      ARG  19  -0.318   8.738  -1.052
  143    HE   ARG  19           HE       ARG  19   1.287   7.331  -3.002
  144   HH11  ARG  19          HH21      ARG  19  -1.579   9.172  -2.404
  145   HH12  ARG  19          HH22      ARG  19  -1.704   9.766  -4.026
  146   HH21  ARG  19          HH11      ARG  19   1.131   8.104  -5.134
  147   HH22  ARG  19          HH12      ARG  19  -0.170   9.160  -5.572
  148    H    ASP  20           H        ASP  20   1.589   6.475   1.994
  149    HA   ASP  20           HA       ASP  20   3.395   8.659   2.235
  150    HB2  ASP  20           HB2      ASP  20   1.001   7.712   3.549
  151    HB3  ASP  20           HB3      ASP  20   2.185   8.245   4.741
  152    H    ARG  21           H        ARG  21   3.557   5.390   3.190
  153    HA   ARG  21           HA       ARG  21   5.252   5.656   5.468
  154    HB2  ARG  21           HB2      ARG  21   3.854   3.606   4.560
  155    HB3  ARG  21           HB3      ARG  21   5.351   3.244   3.700
  156    HG2  ARG  21           HG2      ARG  21   5.802   2.140   5.673
  157    HG3  ARG  21           HG3      ARG  21   6.400   3.741   6.114
  158    HD2  ARG  21           HD2      ARG  21   3.906   4.149   6.845
  159    HD3  ARG  21           HD3      ARG  21   3.842   2.390   6.909
  160    HE   ARG  21           HE       ARG  21   6.097   2.993   8.321
  161   HH11  ARG  21          HH21      ARG  21   2.802   4.048   8.395
  162   HH12  ARG  21          HH22      ARG  21   2.798   4.367  10.098
  163   HH21  ARG  21          HH11      ARG  21   6.100   3.407  10.553
  164   HH22  ARG  21          HH12      ARG  21   4.666   4.003  11.320
  165    H    VAL  22           H        VAL  22   5.834   5.134   2.009
  166    HA   VAL  22           HA       VAL  22   8.731   5.325   2.449
  167    HB   VAL  22           HB       VAL  22   7.226   4.750  -0.113
  168   HG11  VAL  22          HG11      VAL  22   9.531   3.691  -0.619
  169   HG12  VAL  22          HG12      VAL  22  10.119   4.644   0.744
  170   HG13  VAL  22          HG13      VAL  22   9.421   5.451  -0.660
  171   HG21  VAL  22          HG21      VAL  22   6.681   2.891   1.174
  172   HG22  VAL  22          HG22      VAL  22   8.139   3.018   2.159
  173   HG23  VAL  22          HG23      VAL  22   8.236   2.379   0.518
  174    H    ARG  23           H        ARG  23   6.068   7.246   1.562
  175    HA   ARG  23           HA       ARG  23   5.901   9.432   0.869
  176    HB2  ARG  23           HB2      ARG  23   8.896   9.652   1.120
  177    HB3  ARG  23           HB3      ARG  23   7.677  10.906   1.354
  178    HG2  ARG  23           HG2      ARG  23   6.802   9.560   3.309
  179    HG3  ARG  23           HG3      ARG  23   8.213   8.516   3.137
  180    HD2  ARG  23           HD2      ARG  23   8.018  11.261   4.208
  181    HD3  ARG  23           HD3      ARG  23   9.184   9.991   4.570
  182    HE   ARG  23           HE       ARG  23   9.929  10.714   2.086
  183   HH11  ARG  23          HH21      ARG  23   9.098  12.534   4.909
  184   HH12  ARG  23          HH22      ARG  23  10.149  13.859   4.533
  185   HH21  ARG  23          HH11      ARG  23  11.310  12.449   1.586
  186   HH22  ARG  23          HH12      ARG  23  11.401  13.810   2.653
  187    H    THR  24           H        THR  24   6.473   7.195  -0.996
  188    HA   THR  24           HA       THR  24   7.457   8.829  -3.253
  189    HB   THR  24           HB       THR  24   8.002   5.880  -2.836
  190    HG1  THR  24           HG1      THR  24  10.203   7.269  -2.983
  191   HG21  THR  24          HG21      THR  24   9.565   7.406  -4.794
  192   HG22  THR  24          HG22      THR  24   7.849   7.313  -5.190
  193   HG23  THR  24          HG23      THR  24   8.782   5.835  -4.959
  194    H    ASP  25           H        ASP  25   5.926   9.068  -4.740
  195    HA   ASP  25           HA       ASP  25   3.417   7.864  -4.694
  196    HB2  ASP  25           HB2      ASP  25   4.511   8.666  -7.341
  197    HB3  ASP  25           HB3      ASP  25   2.973   9.081  -6.583
  198    H    ASP  26           H        ASP  26   6.416   6.755  -6.096
  199    HA   ASP  26           HA       ASP  26   5.300   4.784  -7.827
  200    HB2  ASP  26           HB2      ASP  26   7.757   5.815  -7.609
  201    HB3  ASP  26           HB3      ASP  26   7.996   4.365  -6.637
  202    H    TYR  27           H        TYR  27   5.587   4.983  -4.448
  203    HA   TYR  27           HA       TYR  27   5.659   2.090  -4.045
  204    HB2  TYR  27           HB2      TYR  27   6.557   4.218  -2.534
  205    HB3  TYR  27           HB3      TYR  27   5.070   3.753  -1.708
  206    HD1  TYR  27           HD2      TYR  27   8.419   2.624  -2.775
  207    HD2  TYR  27           HD1      TYR  27   4.836   1.575  -0.651
  208    HE1  TYR  27           HE2      TYR  27   9.578   0.668  -1.788
  209    HE2  TYR  27           HE1      TYR  27   5.994  -0.381   0.337
  210    HH   TYR  27           HH       TYR  27   8.632  -0.900   0.824
  211    H    PHE  28           H        PHE  28   3.352   4.402  -4.748
  212    HA   PHE  28           HA       PHE  28   1.217   3.341  -3.112
  213    HB2  PHE  28           HB2      PHE  28   1.112   5.677  -3.645
  214    HB3  PHE  28           HB3      PHE  28   1.300   5.350  -5.368
  215    HD1  PHE  28           HD2      PHE  28  -0.987   5.167  -2.485
  216    HD2  PHE  28           HD1      PHE  28  -0.530   4.473  -6.697
  217    HE1  PHE  28           HE2      PHE  28  -3.439   4.914  -2.708
  218    HE2  PHE  28           HE1      PHE  28  -2.980   4.217  -6.921
  219    HZ   PHE  28           HZ       PHE  28  -4.442   4.439  -4.928
  220    H    TYR  29           H        TYR  29   1.819   3.533  -6.628
  221    HA   TYR  29           HA       TYR  29  -0.249   1.919  -7.501
  222    HB2  TYR  29           HB2      TYR  29   2.272   2.884  -8.577
  223    HB3  TYR  29           HB3      TYR  29   1.894   1.266  -9.171
  224    HD1  TYR  29           HD2      TYR  29   0.717   4.766  -8.969
  225    HD2  TYR  29           HD1      TYR  29  -0.035   0.854 -10.575
  226    HE1  TYR  29           HE2      TYR  29  -0.979   5.723 -10.506
  227    HE2  TYR  29           HE1      TYR  29  -1.731   1.809 -12.110
  228    HH   TYR  29           HH       TYR  29  -2.491   5.295 -12.068
  229    H    GLU  30           H        GLU  30   2.812   0.991  -6.054
  230    HA   GLU  30           HA       GLU  30   2.782  -1.750  -6.737
  231    HB2  GLU  30           HB2      GLU  30   4.082  -0.131  -4.575
  232    HB3  GLU  30           HB3      GLU  30   4.137  -1.892  -4.493
  233    HG2  GLU  30           HG2      GLU  30   5.302  -2.067  -6.545
  234    HG3  GLU  30           HG3      GLU  30   4.898  -0.417  -7.012
  235    H    CYS  31           H        CYS  31   1.092   0.092  -4.304
  236    HA   CYS  31           HA       CYS  31   0.306  -2.145  -2.689
  237    HB2  CYS  31           HB2      CYS  31   0.302   0.006  -1.647
  238    HB3  CYS  31           HB3      CYS  31  -0.710   0.692  -2.918
  239    H    CYS  32           H        CYS  32  -1.155  -0.325  -5.346
  240    HA   CYS  32           HA       CYS  32  -3.665  -1.706  -5.254
  241    HB2  CYS  32           HB2      CYS  32  -2.649   0.547  -6.559
  242    HB3  CYS  32           HB3      CYS  32  -3.002  -0.596  -7.854
  243    H    THR  33           H        THR  33  -0.562  -2.481  -6.463
  244    HA   THR  33           HA       THR  33  -1.693  -4.832  -7.840
  245    HB   THR  33           HB       THR  33   0.702  -3.338  -8.904
  246    HG1  THR  33           HG1      THR  33  -0.621  -1.965  -9.741
  247   HG21  THR  33          HG21      THR  33  -0.928  -4.806 -10.786
  248   HG22  THR  33          HG22      THR  33  -0.458  -5.847  -9.443
  249   HG23  THR  33          HG23      THR  33   0.777  -5.021 -10.392
  250    H    SER  34           H        SER  34   1.128  -5.461  -8.667
  251    HA   SER  34           HA       SER  34   2.621  -7.042  -7.842
  252    HB2  SER  34           HB2      SER  34   3.880  -5.041  -7.495
  253    HB3  SER  34           HB3      SER  34   2.956  -4.633  -6.053
  254    HG   SER  34           HG       SER  34   4.172  -5.934  -4.936
  255    H    GLU  35           H        GLU  35   1.230  -8.677  -7.122
  256    HA   GLU  35           HA       GLU  35  -0.231  -8.822  -4.788
  257    HB2  GLU  35           HB2      GLU  35  -0.256 -10.561  -6.532
  258    HB3  GLU  35           HB3      GLU  35   1.372 -11.054  -6.063
  259    HG2  GLU  35           HG2      GLU  35  -0.047 -11.034  -3.661
  260    HG3  GLU  35           HG3      GLU  35  -1.184 -11.711  -4.826
  261    H    SER  36           H        SER  36   3.231  -9.092  -5.226
  262    HA   SER  36           HA       SER  36   3.900 -10.221  -2.725
  263    HB2  SER  36           HB2      SER  36   5.672  -8.222  -4.086
  264    HB3  SER  36           HB3      SER  36   6.107  -9.714  -3.255
  265    HG   SER  36           HG       SER  36   5.140  -9.296  -5.842
  266    H    THR  37           H        THR  37   4.204  -6.808  -3.740
  267    HA   THR  37           HA       THR  37   4.727  -5.720  -1.239
  268    HB   THR  37           HB       THR  37   3.068  -4.344  -3.352
  269    HG1  THR  37           HG1      THR  37   4.712  -4.545  -4.611
  270   HG21  THR  37          HG21      THR  37   3.576  -2.438  -2.241
  271   HG22  THR  37          HG22      THR  37   5.250  -2.933  -1.988
  272   HG23  THR  37          HG23      THR  37   3.988  -3.497  -0.892
  273    H    PHE  38           H        PHE  38   1.632  -6.494  -2.750
  274    HA   PHE  38           HA       PHE  38  -0.187  -5.244  -1.132
  275    HB2  PHE  38           HB2      PHE  38  -0.165  -7.576  -2.834
  276    HB3  PHE  38           HB3      PHE  38  -1.171  -7.871  -1.418
  277    HD1  PHE  38           HD1      PHE  38  -2.383  -5.365  -0.756
  278    HD2  PHE  38           HD2      PHE  38  -1.488  -6.954  -4.645
  279    HE1  PHE  38           HE1      PHE  38  -4.184  -3.972  -1.741
  280    HE2  PHE  38           HE2      PHE  38  -3.286  -5.560  -5.629
  281    HZ   PHE  38           HZ       PHE  38  -4.635  -4.068  -4.178
  282    H    LYS  39           H        LYS  39   1.444  -8.336  -0.461
  283    HA   LYS  39           HA       LYS  39   0.199  -8.791   2.042
  284    HB2  LYS  39           HB2      LYS  39   2.246 -10.031   0.409
  285    HB3  LYS  39           HB3      LYS  39   2.696 -10.055   2.114
  286    HG2  LYS  39           HG2      LYS  39   0.011 -10.965   1.038
  287    HG3  LYS  39           HG3      LYS  39   1.342 -12.048   1.443
  288    HD2  LYS  39           HD2      LYS  39   1.124 -10.469   3.707
  289    HD3  LYS  39           HD3      LYS  39  -0.556 -10.687   3.216
  290    HE2  LYS  39           HE2      LYS  39   1.451 -12.934   3.564
  291    HE3  LYS  39           HE3      LYS  39   0.218 -12.494   4.745
  292    HZ1  LYS  39           HZ1      LYS  39  -0.043 -14.130   2.483
  293    HZ2  LYS  39           HZ2      LYS  39  -1.025 -12.761   2.260
  294    HZ3  LYS  39           HZ3      LYS  39  -1.219 -13.735   3.638
  295    H    LYS  40           H        LYS  40   3.347  -7.346   1.191
  296    HA   LYS  40           HA       LYS  40   4.278  -6.966   3.816
  297    HB2  LYS  40           HB2      LYS  40   4.960  -5.943   1.139
  298    HB3  LYS  40           HB3      LYS  40   5.395  -4.874   2.474
  299    HG2  LYS  40           HG2      LYS  40   7.264  -6.349   2.116
  300    HG3  LYS  40           HG3      LYS  40   6.465  -6.876   3.599
  301    HD2  LYS  40           HD2      LYS  40   5.155  -8.524   2.173
  302    HD3  LYS  40           HD3      LYS  40   6.244  -8.115   0.846
  303    HE2  LYS  40           HE2      LYS  40   8.011  -9.228   1.775
  304    HE3  LYS  40           HE3      LYS  40   7.557  -8.782   3.419
  305    HZ1  LYS  40           HZ1      LYS  40   7.279 -11.228   2.487
  306    HZ2  LYS  40           HZ2      LYS  40   5.778 -10.602   1.998
  307    HZ3  LYS  40           HZ3      LYS  40   6.218 -10.575   3.638
  308    H    CYS  41           H        CYS  41   2.054  -5.078   1.861
  309    HA   CYS  41           HA       CYS  41   2.122  -2.702   3.410
  310    HB2  CYS  41           HB2      CYS  41   0.426  -3.830   1.284
  311    HB3  CYS  41           HB3      CYS  41  -0.404  -2.727   2.380
  312    H    GLN  42           H        GLN  42   0.146  -5.640   3.610
  313    HA   GLN  42           HA       GLN  42  -1.500  -4.622   5.743
  314    HB2  GLN  42           HB2      GLN  42  -1.098  -7.481   4.827
  315    HB3  GLN  42           HB3      GLN  42  -2.419  -6.877   5.830
  316    HG2  GLN  42           HG2      GLN  42  -2.661  -5.177   3.765
  317    HG3  GLN  42           HG3      GLN  42  -1.955  -6.545   2.906
  318   HE21  GLN  42          HE21      GLN  42  -4.291  -6.435   1.907
  319   HE22  GLN  42          HE22      GLN  42  -5.482  -7.354   2.696
  320    H    THR  43           H        THR  43   1.413  -6.562   5.474
  321    HA   THR  43           HA       THR  43   1.528  -7.512   8.133
  322    HB   THR  43           HB       THR  43   4.019  -6.873   6.601
  323    HG1  THR  43           HG1      THR  43   3.504  -8.178   5.036
  324   HG21  THR  43          HG21      THR  43   4.498  -9.248   7.405
  325   HG22  THR  43          HG22      THR  43   3.007  -9.127   8.341
  326   HG23  THR  43          HG23      THR  43   4.343  -8.023   8.665
  327    H    MET  44           H        MET  44   2.289  -4.428   6.707
  328    HA   MET  44           HA       MET  44   3.738  -3.534   9.086
  329    HB2  MET  44           HB2      MET  44   3.716  -2.800   6.332
  330    HB3  MET  44           HB3      MET  44   3.212  -1.393   7.269
  331    HG2  MET  44           HG2      MET  44   5.727  -3.034   7.686
  332    HG3  MET  44           HG3      MET  44   5.636  -1.378   7.089
  333    HE1  MET  44           HE1      MET  44   7.566  -1.699   9.045
  334    HE2  MET  44           HE2      MET  44   6.937  -3.076   9.947
  335    HE3  MET  44           HE3      MET  44   7.208  -1.542  10.770
  336    H    LEU  45           H        LEU  45   0.620  -3.179   7.525
  337    HA   LEU  45           HA       LEU  45  -0.306  -0.924   8.948
  338    HB2  LEU  45           HB2      LEU  45  -1.656  -3.200   7.525
  339    HB3  LEU  45           HB3      LEU  45  -2.607  -2.024   8.434
  340    HG   LEU  45           HG       LEU  45  -0.533  -1.082   6.470
  341   HD11  LEU  45          HD11      LEU  45  -1.680  -2.209   4.853
  342   HD12  LEU  45          HD12      LEU  45  -2.865  -0.918   5.057
  343   HD13  LEU  45          HD13      LEU  45  -3.085  -2.458   5.888
  344   HD21  LEU  45          HD21      LEU  45  -1.987   0.295   8.229
  345   HD22  LEU  45          HD22      LEU  45  -3.209   0.171   6.965
  346   HD23  LEU  45          HD23      LEU  45  -1.660   0.941   6.621
  347    H    HIS  46           H        HIS  46  -0.194  -4.343   9.733
  348    HA   HIS  46           HA       HIS  46  -1.732  -3.944  12.187
  349    HB2  HIS  46           HB2      HIS  46  -1.574  -6.061  10.491
  350    HB3  HIS  46           HB3      HIS  46  -0.396  -6.535  11.714
  351    HD1  HIS  46           HD1      HIS  46  -1.575  -5.643  14.291
  352    HD2  HIS  46           HD2      HIS  46  -3.956  -7.225  11.257
  353    HE1  HIS  46           HE1      HIS  46  -3.693  -6.472  15.403
  354    H    GLN  47           H        GLN  47   1.369  -5.563  11.474
  355    HA   GLN  47           HA       GLN  47   2.638  -4.101  13.671
  356    HB2  GLN  47           HB2      GLN  47   3.591  -6.459  14.370
  357    HB3  GLN  47           HB3      GLN  47   2.036  -5.905  14.993
  358    HG2  GLN  47           HG2      GLN  47   0.887  -7.493  13.857
  359    HG3  GLN  47           HG3      GLN  47   1.837  -7.253  12.391
  360   HE21  GLN  47          HE21      GLN  47   1.566  -9.161  15.331
  361   HE22  GLN  47          HE22      GLN  47   2.826 -10.238  14.966
  Start of MODEL   16
    1    H1   ALA   1           H1       ALA   1  -5.164   1.718 -13.545
    2    H2   ALA   1           H2       ALA   1  -5.462   3.230 -12.829
    3    H3   ALA   1           H3       ALA   1  -4.897   3.141 -14.428
    4    HA   ALA   1           HA       ALA   1  -7.440   3.509 -13.845
    5    HB1  ALA   1           HB1      ALA   1  -6.603   3.629 -16.094
    6    HB2  ALA   1           HB2      ALA   1  -7.900   2.435 -16.101
    7    HB3  ALA   1           HB3      ALA   1  -6.218   1.907 -16.106
    8    H    ASP   2           H        ASP   2  -8.735   2.455 -12.465
    9    HA   ASP   2           HA       ASP   2  -9.768   0.739 -11.322
   10    HB2  ASP   2           HB2      ASP   2  -9.731  -0.679 -13.984
   11    HB3  ASP   2           HB3      ASP   2 -10.953  -0.769 -12.716
   12    H    ASP   3           H        ASP   3  -6.702   0.499 -12.173
   13    HA   ASP   3           HA       ASP   3  -6.155  -2.298 -12.070
   14    HB2  ASP   3           HB2      ASP   3  -4.532   0.205 -11.803
   15    HB3  ASP   3           HB3      ASP   3  -3.819  -1.337 -11.331
   16    H    LYS   4           H        LYS   4  -7.855  -2.321 -10.154
   17    HA   LYS   4           HA       LYS   4  -8.195  -2.949  -7.975
   18    HB2  LYS   4           HB2      LYS   4  -5.184  -2.910  -7.713
   19    HB3  LYS   4           HB3      LYS   4  -6.337  -3.780  -6.702
   20    HG2  LYS   4           HG2      LYS   4  -6.995  -5.187  -8.576
   21    HG3  LYS   4           HG3      LYS   4  -5.967  -4.262  -9.672
   22    HD2  LYS   4           HD2      LYS   4  -4.052  -5.265  -8.936
   23    HD3  LYS   4           HD3      LYS   4  -4.617  -5.353  -7.267
   24    HE2  LYS   4           HE2      LYS   4  -5.957  -7.283  -7.726
   25    HE3  LYS   4           HE3      LYS   4  -5.744  -7.097  -9.467
   26    HZ1  LYS   4           HZ1      LYS   4  -3.245  -7.305  -8.857
   27    HZ2  LYS   4           HZ2      LYS   4  -4.204  -8.702  -8.980
   28    HZ3  LYS   4           HZ3      LYS   4  -3.832  -8.056  -7.453
   29    H    CYS   5           H        CYS   5  -7.239  -0.061  -8.944
   30    HA   CYS   5           HA       CYS   5  -7.061   1.049  -6.205
   31    HB2  CYS   5           HB2      CYS   5  -6.243   2.790  -8.437
   32    HB3  CYS   5           HB3      CYS   5  -5.477   2.523  -6.872
   33    H    GLU   6           H        GLU   6  -8.246   1.716  -9.498
   34    HA   GLU   6           HA       GLU   6 -10.145   3.677  -8.464
   35    HB2  GLU   6           HB2      GLU   6  -8.765   3.438 -10.852
   36    HB3  GLU   6           HB3      GLU   6 -10.404   2.949 -11.281
   37    HG2  GLU   6           HG2      GLU   6 -11.302   5.011 -10.308
   38    HG3  GLU   6           HG3      GLU   6  -9.686   5.495  -9.799
   39    H    ASP   7           H        ASP   7 -10.032   0.356  -8.962
   40    HA   ASP   7           HA       ASP   7 -12.880   0.088  -9.590
   41    HB2  ASP   7           HB2      ASP   7 -10.771  -1.395 -10.383
   42    HB3  ASP   7           HB3      ASP   7 -11.249  -2.302  -8.948
   43    H    SER   8           H        SER   8 -10.736   0.044  -6.889
   44    HA   SER   8           HA       SER   8 -12.987  -0.750  -5.152
   45    HB2  SER   8           HB2      SER   8 -10.523  -1.514  -3.926
   46    HB3  SER   8           HB3      SER   8 -11.877  -2.537  -4.397
   47    HG   SER   8           HG       SER   8 -10.741  -3.185  -6.034
   48    H    LEU   9           H        LEU   9 -13.487   0.965  -3.955
   49    HA   LEU   9           HA       LEU   9 -11.685   3.139  -3.501
   50    HB2  LEU   9           HB2      LEU   9 -14.486   2.578  -3.094
   51    HB3  LEU   9           HB3      LEU   9 -13.797   3.298  -1.639
   52    HG   LEU   9           HG       LEU   9 -12.749   5.058  -3.153
   53   HD11  LEU   9          HD11      LEU   9 -13.809   3.320  -5.139
   54   HD12  LEU   9          HD12      LEU   9 -12.962   4.847  -5.383
   55   HD13  LEU   9          HD13      LEU   9 -14.718   4.826  -5.237
   56   HD21  LEU   9          HD21      LEU   9 -15.700   5.247  -3.525
   57   HD22  LEU   9          HD22      LEU   9 -14.580   6.411  -2.819
   58   HD23  LEU   9          HD23      LEU   9 -15.126   5.028  -1.871
   59    H    ARG  10           H        ARG  10 -12.296   0.162  -1.906
   60    HA   ARG  10           HA       ARG  10 -11.444   0.980   0.718
   61    HB2  ARG  10           HB2      ARG  10 -12.292  -1.518  -0.601
   62    HB3  ARG  10           HB3      ARG  10 -11.109  -1.725   0.690
   63    HG2  ARG  10           HG2      ARG  10 -13.562  -0.003   1.056
   64    HG3  ARG  10           HG3      ARG  10 -13.593  -1.738   1.372
   65    HD2  ARG  10           HD2      ARG  10 -11.273  -0.439   2.577
   66    HD3  ARG  10           HD3      ARG  10 -12.791   0.234   3.165
   67    HE   ARG  10           HE       ARG  10 -12.519  -2.689   3.148
   68   HH11  ARG  10          HH21      ARG  10 -12.542   0.326   4.844
   69   HH12  ARG  10          HH22      ARG  10 -12.787  -0.391   6.401
   70   HH21  ARG  10          HH11      ARG  10 -12.843  -3.640   5.187
   71   HH22  ARG  10          HH12      ARG  10 -12.957  -2.638   6.595
   72    H    ARG  11           H        ARG  11  -9.953  -0.882  -1.930
   73    HA   ARG  11           HA       ARG  11  -7.488  -1.399  -0.739
   74    HB2  ARG  11           HB2      ARG  11  -8.358  -1.041  -3.593
   75    HB3  ARG  11           HB3      ARG  11  -6.659  -1.308  -3.202
   76    HG2  ARG  11           HG2      ARG  11  -7.241  -3.377  -2.009
   77    HG3  ARG  11           HG3      ARG  11  -8.949  -3.109  -2.358
   78    HD2  ARG  11           HD2      ARG  11  -8.289  -3.075  -4.829
   79    HD3  ARG  11           HD3      ARG  11  -6.725  -3.704  -4.316
   80    HE   ARG  11           HE       ARG  11  -8.394  -5.460  -3.164
   81   HH11  ARG  11          HH21      ARG  11  -8.321  -4.063  -6.328
   82   HH12  ARG  11          HH22      ARG  11  -9.031  -5.440  -7.103
   83   HH21  ARG  11          HH11      ARG  11  -9.326  -7.268  -4.172
   84   HH22  ARG  11          HH12      ARG  11  -9.602  -7.254  -5.882
   85    H    GLU  12           H        GLU  12  -8.740   1.546  -2.125
   86    HA   GLU  12           HA       GLU  12  -6.254   2.891  -2.469
   87    HB2  GLU  12           HB2      GLU  12  -8.521   3.508  -3.477
   88    HB3  GLU  12           HB3      GLU  12  -8.898   4.229  -1.912
   89    HG2  GLU  12           HG2      GLU  12  -6.779   5.576  -2.106
   90    HG3  GLU  12           HG3      GLU  12  -6.604   4.963  -3.749
   91    H    ILE  13           H        ILE  13  -8.742   3.142   0.082
   92    HA   ILE  13           HA       ILE  13  -7.513   4.959   1.750
   93    HB   ILE  13           HB       ILE  13  -9.185   2.539   2.443
   94   HG12  ILE  13          HG12      ILE  13 -10.067   5.388   2.680
   95   HG13  ILE  13          HG13      ILE  13  -9.956   4.692   1.063
   96   HG21  ILE  13          HG21      ILE  13  -8.138   2.987   4.486
   97   HG22  ILE  13          HG22      ILE  13  -9.563   4.022   4.574
   98   HG23  ILE  13          HG23      ILE  13  -7.997   4.711   4.148
   99   HD11  ILE  13          HD11      ILE  13 -11.264   2.959   3.066
  100   HD12  ILE  13          HD12      ILE  13 -11.729   3.304   1.399
  101   HD13  ILE  13          HD13      ILE  13 -12.141   4.441   2.683
  102    H    ALA  14           H        ALA  14  -6.819   1.526   1.375
  103    HA   ALA  14           HA       ALA  14  -4.960   1.492   3.601
  104    HB1  ALA  14           HB1      ALA  14  -6.367  -0.486   2.865
  105    HB2  ALA  14           HB2      ALA  14  -4.650  -0.819   3.090
  106    HB3  ALA  14           HB3      ALA  14  -5.303  -0.615   1.464
  107    H    CYS  15           H        CYS  15  -4.724   1.180   0.055
  108    HA   CYS  15           HA       CYS  15  -1.924   1.035  -0.095
  109    HB2  CYS  15           HB2      CYS  15  -3.987   2.040  -2.060
  110    HB3  CYS  15           HB3      CYS  15  -2.273   1.899  -2.451
  111    H    THR  16           H        THR  16  -4.018   3.688   0.570
  112    HA   THR  16           HA       THR  16  -2.173   5.758  -0.222
  113    HB   THR  16           HB       THR  16  -4.580   5.941   1.604
  114    HG1  THR  16           HG1      THR  16  -5.723   5.852  -0.140
  115   HG21  THR  16          HG21      THR  16  -3.418   7.945   1.881
  116   HG22  THR  16          HG22      THR  16  -4.475   8.329   0.521
  117   HG23  THR  16          HG23      THR  16  -2.783   7.919   0.236
  118    H    LYS  17           H        LYS  17  -2.939   3.996   2.718
  119    HA   LYS  17           HA       LYS  17  -1.478   5.690   4.495
  120    HB2  LYS  17           HB2      LYS  17  -2.494   2.857   4.689
  121    HB3  LYS  17           HB3      LYS  17  -1.580   3.619   5.990
  122    HG2  LYS  17           HG2      LYS  17  -3.292   5.555   5.777
  123    HG3  LYS  17           HG3      LYS  17  -4.277   4.390   4.889
  124    HD2  LYS  17           HD2      LYS  17  -4.014   2.806   6.834
  125    HD3  LYS  17           HD3      LYS  17  -3.245   4.121   7.722
  126    HE2  LYS  17           HE2      LYS  17  -5.212   5.394   7.800
  127    HE3  LYS  17           HE3      LYS  17  -5.934   4.535   6.440
  128    HZ1  LYS  17           HZ1      LYS  17  -5.587   3.609   9.224
  129    HZ2  LYS  17           HZ2      LYS  17  -5.847   2.513   7.953
  130    HZ3  LYS  17           HZ3      LYS  17  -7.013   3.697   8.309
  131    H    CYS  18           H        CYS  18  -0.658   3.002   2.421
  132    HA   CYS  18           HA       CYS  18   1.825   2.318   3.613
  133    HB2  CYS  18           HB2      CYS  18   0.409   1.733   1.090
  134    HB3  CYS  18           HB3      CYS  18   2.168   1.650   0.998
  135    H    ARG  19           H        ARG  19   1.153   4.191   0.645
  136    HA   ARG  19           HA       ARG  19   3.793   5.080   0.256
  137    HB2  ARG  19           HB2      ARG  19   2.887   6.601  -1.343
  138    HB3  ARG  19           HB3      ARG  19   1.882   5.153  -1.411
  139    HG2  ARG  19           HG2      ARG  19   0.164   6.632  -1.186
  140    HG3  ARG  19           HG3      ARG  19   0.591   6.571   0.525
  141    HD2  ARG  19           HD2      ARG  19   0.698   8.850   0.214
  142    HD3  ARG  19           HD3      ARG  19   2.349   8.432  -0.236
  143    HE   ARG  19           HE       ARG  19   1.833   9.216  -2.343
  144   HH11  ARG  19          HH21      ARG  19  -1.011   8.018  -0.780
  145   HH12  ARG  19          HH22      ARG  19  -2.068   8.410  -2.095
  146   HH21  ARG  19          HH11      ARG  19   0.454   9.732  -4.074
  147   HH22  ARG  19          HH12      ARG  19  -1.239   9.381  -3.960
  148    H    ASP  20           H        ASP  20   1.185   6.303   2.255
  149    HA   ASP  20           HA       ASP  20   2.120   8.895   2.749
  150    HB2  ASP  20           HB2      ASP  20   0.410   6.956   4.245
  151    HB3  ASP  20           HB3      ASP  20   0.982   8.396   5.085
  152    H    ARG  21           H        ARG  21   3.134   5.797   4.032
  153    HA   ARG  21           HA       ARG  21   4.691   6.817   6.196
  154    HB2  ARG  21           HB2      ARG  21   3.884   4.458   6.023
  155    HB3  ARG  21           HB3      ARG  21   5.036   4.202   4.712
  156    HG2  ARG  21           HG2      ARG  21   6.906   4.618   6.154
  157    HG3  ARG  21           HG3      ARG  21   5.859   5.213   7.443
  158    HD2  ARG  21           HD2      ARG  21   5.849   2.382   6.362
  159    HD3  ARG  21           HD3      ARG  21   6.620   2.887   7.860
  160    HE   ARG  21           HE       ARG  21   3.700   3.094   7.386
  161   HH11  ARG  21          HH21      ARG  21   6.460   2.470   9.406
  162   HH12  ARG  21          HH22      ARG  21   5.510   2.124  10.810
  163   HH21  ARG  21          HH11      ARG  21   2.474   2.641   9.228
  164   HH22  ARG  21          HH12      ARG  21   3.263   2.218  10.712
  165    H    VAL  22           H        VAL  22   5.664   5.454   3.037
  166    HA   VAL  22           HA       VAL  22   8.356   6.439   3.294
  167    HB   VAL  22           HB       VAL  22   7.219   5.639   0.650
  168   HG11  VAL  22          HG11      VAL  22   9.699   6.217   1.372
  169   HG12  VAL  22          HG12      VAL  22   9.385   4.886   0.259
  170   HG13  VAL  22          HG13      VAL  22   9.690   4.556   1.963
  171   HG21  VAL  22          HG21      VAL  22   7.468   3.884   3.093
  172   HG22  VAL  22          HG22      VAL  22   7.663   3.213   1.475
  173   HG23  VAL  22          HG23      VAL  22   6.141   3.976   1.935
  174    H    ARG  23           H        ARG  23   5.369   7.699   2.190
  175    HA   ARG  23           HA       ARG  23   4.766   9.713   1.280
  176    HB2  ARG  23           HB2      ARG  23   7.508  10.818   1.684
  177    HB3  ARG  23           HB3      ARG  23   5.939  11.559   1.998
  178    HG2  ARG  23           HG2      ARG  23   5.859   9.470   3.743
  179    HG3  ARG  23           HG3      ARG  23   7.587   9.820   3.738
  180    HD2  ARG  23           HD2      ARG  23   7.209  12.107   4.370
  181    HD3  ARG  23           HD3      ARG  23   5.473  11.952   4.115
  182    HE   ARG  23           HE       ARG  23   6.218  10.056   6.041
  183   HH11  ARG  23          HH21      ARG  23   6.124  13.485   5.587
  184   HH12  ARG  23          HH22      ARG  23   5.889  13.839   7.266
  185   HH21  ARG  23          HH11      ARG  23   5.911  10.513   8.243
  186   HH22  ARG  23          HH12      ARG  23   5.770  12.157   8.770
  187    H    THR  24           H        THR  24   5.593   7.765  -0.547
  188    HA   THR  24           HA       THR  24   6.763   9.479  -2.647
  189    HB   THR  24           HB       THR  24   7.351   6.528  -2.443
  190    HG1  THR  24           HG1      THR  24   9.500   7.742  -1.840
  191   HG21  THR  24          HG21      THR  24   7.592   7.713  -4.637
  192   HG22  THR  24          HG22      THR  24   9.114   7.069  -4.020
  193   HG23  THR  24          HG23      THR  24   8.762   8.792  -3.878
  194    H    ASP  25           H        ASP  25   5.728   9.422  -4.570
  195    HA   ASP  25           HA       ASP  25   3.137   8.279  -4.734
  196    HB2  ASP  25           HB2      ASP  25   4.166  10.317  -5.995
  197    HB3  ASP  25           HB3      ASP  25   4.703   9.106  -7.157
  198    H    ASP  26           H        ASP  26   6.304   7.147  -5.625
  199    HA   ASP  26           HA       ASP  26   5.466   5.108  -7.441
  200    HB2  ASP  26           HB2      ASP  26   8.000   5.457  -5.826
  201    HB3  ASP  26           HB3      ASP  26   7.765   4.193  -7.033
  202    H    TYR  27           H        TYR  27   6.013   5.252  -3.958
  203    HA   TYR  27           HA       TYR  27   5.873   2.471  -3.449
  204    HB2  TYR  27           HB2      TYR  27   5.970   4.918  -1.903
  205    HB3  TYR  27           HB3      TYR  27   4.819   3.782  -1.201
  206    HD1  TYR  27           HD1      TYR  27   5.538   1.573  -0.414
  207    HD2  TYR  27           HD2      TYR  27   8.345   4.383  -2.048
  208    HE1  TYR  27           HE1      TYR  27   7.413   0.233   0.503
  209    HE2  TYR  27           HE2      TYR  27  10.219   3.044  -1.131
  210    HH   TYR  27           HH       TYR  27  10.773   1.348   0.228
  211    H    PHE  28           H        PHE  28   3.469   4.814  -4.229
  212    HA   PHE  28           HA       PHE  28   1.232   3.495  -3.053
  213    HB2  PHE  28           HB2      PHE  28   1.163   5.871  -3.601
  214    HB3  PHE  28           HB3      PHE  28   1.406   5.504  -5.309
  215    HD1  PHE  28           HD1      PHE  28  -0.915   5.094  -2.448
  216    HD2  PHE  28           HD2      PHE  28  -0.381   4.759  -6.692
  217    HE1  PHE  28           HE1      PHE  28  -3.349   4.755  -2.725
  218    HE2  PHE  28           HE2      PHE  28  -2.815   4.422  -6.974
  219    HZ   PHE  28           HZ       PHE  28  -4.309   4.418  -4.990
  220    H    TYR  29           H        TYR  29   2.494   3.677  -6.386
  221    HA   TYR  29           HA       TYR  29   0.594   1.939  -7.538
  222    HB2  TYR  29           HB2      TYR  29   3.200   3.093  -8.316
  223    HB3  TYR  29           HB3      TYR  29   2.780   1.575  -9.113
  224    HD1  TYR  29           HD2      TYR  29   0.276   1.417  -9.971
  225    HD2  TYR  29           HD1      TYR  29   2.374   5.085  -9.205
  226    HE1  TYR  29           HE2      TYR  29  -1.305   2.629 -11.448
  227    HE2  TYR  29           HE1      TYR  29   0.794   6.298 -10.683
  228    HH   TYR  29           HH       TYR  29  -0.798   5.373 -12.822
  229    H    GLU  30           H        GLU  30   3.118   1.325  -5.367
  230    HA   GLU  30           HA       GLU  30   3.716  -1.365  -6.238
  231    HB2  GLU  30           HB2      GLU  30   5.166   0.338  -4.826
  232    HB3  GLU  30           HB3      GLU  30   4.309  -0.399  -3.472
  233    HG2  GLU  30           HG2      GLU  30   6.229  -1.749  -3.714
  234    HG3  GLU  30           HG3      GLU  30   4.970  -2.660  -4.545
  235    H    CYS  31           H        CYS  31   1.461   0.186  -4.085
  236    HA   CYS  31           HA       CYS  31   0.763  -2.206  -2.638
  237    HB2  CYS  31           HB2      CYS  31   0.480  -0.025  -1.588
  238    HB3  CYS  31           HB3      CYS  31  -0.633   0.470  -2.864
  239    H    CYS  32           H        CYS  32  -0.604  -0.381  -5.354
  240    HA   CYS  32           HA       CYS  32  -2.942  -2.025  -5.577
  241    HB2  CYS  32           HB2      CYS  32  -2.132   0.409  -6.627
  242    HB3  CYS  32           HB3      CYS  32  -2.139  -0.664  -8.026
  243    H    THR  33           H        THR  33   0.213  -2.767  -6.106
  244    HA   THR  33           HA       THR  33   0.183  -4.069  -8.620
  245    HB   THR  33           HB       THR  33   1.864  -5.211  -6.458
  246    HG1  THR  33           HG1      THR  33   1.526  -2.577  -6.748
  247   HG21  THR  33          HG21      THR  33   1.949  -5.557  -9.043
  248   HG22  THR  33          HG22      THR  33   3.461  -5.327  -8.166
  249   HG23  THR  33          HG23      THR  33   2.745  -3.983  -9.057
  250    H    SER  34           H        SER  34   1.191  -6.663  -7.714
  251    HA   SER  34           HA       SER  34  -1.240  -8.127  -7.788
  252    HB2  SER  34           HB2      SER  34   1.467  -8.705  -8.145
  253    HB3  SER  34           HB3      SER  34   1.002  -9.645  -6.731
  254    HG   SER  34           HG       SER  34   0.521 -10.842  -8.547
  255    H    GLU  35           H        GLU  35  -1.122 -10.134  -6.001
  256    HA   GLU  35           HA       GLU  35  -2.007  -8.848  -3.568
  257    HB2  GLU  35           HB2      GLU  35  -1.790 -11.767  -4.343
  258    HB3  GLU  35           HB3      GLU  35  -2.508 -11.180  -2.842
  259    HG2  GLU  35           HG2      GLU  35  -3.635  -9.711  -5.034
  260    HG3  GLU  35           HG3      GLU  35  -3.756 -11.434  -5.386
  261    H    SER  36           H        SER  36   0.702 -10.874  -4.587
  262    HA   SER  36           HA       SER  36   1.874 -11.538  -2.192
  263    HB2  SER  36           HB2      SER  36   4.091 -11.084  -3.562
  264    HB3  SER  36           HB3      SER  36   3.012 -12.406  -4.000
  265    HG   SER  36           HG       SER  36   3.750 -10.771  -5.674
  266    H    THR  37           H        THR  37   2.162  -8.461  -3.944
  267    HA   THR  37           HA       THR  37   3.877  -7.306  -1.920
  268    HB   THR  37           HB       THR  37   3.167  -5.176  -3.364
  269    HG1  THR  37           HG1      THR  37   2.104  -7.356  -4.627
  270   HG21  THR  37          HG21      THR  37   4.915  -6.299  -5.117
  271   HG22  THR  37          HG22      THR  37   5.151  -7.343  -3.716
  272   HG23  THR  37          HG23      THR  37   5.397  -5.603  -3.570
  273    H    PHE  38           H        PHE  38   0.468  -7.268  -2.756
  274    HA   PHE  38           HA       PHE  38  -0.347  -5.066  -1.202
  275    HB2  PHE  38           HB2      PHE  38  -1.655  -6.530  -2.939
  276    HB3  PHE  38           HB3      PHE  38  -2.088  -7.486  -1.521
  277    HD1  PHE  38           HD1      PHE  38  -3.042  -6.208   0.524
  278    HD2  PHE  38           HD2      PHE  38  -2.829  -4.551  -3.433
  279    HE1  PHE  38           HE1      PHE  38  -4.763  -4.530   1.134
  280    HE2  PHE  38           HE2      PHE  38  -4.550  -2.873  -2.823
  281    HZ   PHE  38           HZ       PHE  38  -5.516  -2.863  -0.539
  282    H    LYS  39           H        LYS  39   0.390  -8.381  -0.352
  283    HA   LYS  39           HA       LYS  39  -0.803  -8.258   2.261
  284    HB2  LYS  39           HB2      LYS  39   0.431 -10.249   0.603
  285    HB3  LYS  39           HB3      LYS  39   1.194 -10.270   2.192
  286    HG2  LYS  39           HG2      LYS  39  -1.808 -10.259   1.803
  287    HG3  LYS  39           HG3      LYS  39  -0.864 -11.739   1.978
  288    HD2  LYS  39           HD2      LYS  39   0.073 -10.669   4.131
  289    HD3  LYS  39           HD3      LYS  39  -1.264  -9.528   3.994
  290    HE2  LYS  39           HE2      LYS  39  -2.874 -11.385   3.994
  291    HE3  LYS  39           HE3      LYS  39  -1.549 -12.545   4.089
  292    HZ1  LYS  39           HZ1      LYS  39  -2.599 -10.747   6.138
  293    HZ2  LYS  39           HZ2      LYS  39  -0.927 -11.053   6.149
  294    HZ3  LYS  39           HZ3      LYS  39  -2.031 -12.338   6.283
  295    H    LYS  40           H        LYS  40   2.472  -7.900   0.956
  296    HA   LYS  40           HA       LYS  40   3.850  -7.727   3.400
  297    HB2  LYS  40           HB2      LYS  40   4.415  -7.269   0.606
  298    HB3  LYS  40           HB3      LYS  40   5.138  -5.994   1.586
  299    HG2  LYS  40           HG2      LYS  40   5.444  -8.954   2.166
  300    HG3  LYS  40           HG3      LYS  40   6.632  -7.992   1.286
  301    HD2  LYS  40           HD2      LYS  40   6.143  -6.468   3.551
  302    HD3  LYS  40           HD3      LYS  40   6.112  -8.121   4.164
  303    HE2  LYS  40           HE2      LYS  40   8.325  -6.961   2.446
  304    HE3  LYS  40           HE3      LYS  40   8.405  -7.145   4.198
  305    HZ1  LYS  40           HZ1      LYS  40   8.454  -9.426   4.047
  306    HZ2  LYS  40           HZ2      LYS  40   9.362  -8.982   2.681
  307    HZ3  LYS  40           HZ3      LYS  40   7.741  -9.462   2.509
  308    H    CYS  41           H        CYS  41   2.432  -5.170   1.366
  309    HA   CYS  41           HA       CYS  41   3.190  -2.908   2.698
  310    HB2  CYS  41           HB2      CYS  41   1.218  -3.561   0.817
  311    HB3  CYS  41           HB3      CYS  41   0.353  -2.765   2.132
  312    H    GLN  42           H        GLN  42   0.482  -5.047   3.565
  313    HA   GLN  42           HA       GLN  42  -0.275  -3.535   5.870
  314    HB2  GLN  42           HB2      GLN  42  -1.236  -5.826   4.451
  315    HB3  GLN  42           HB3      GLN  42  -1.083  -6.250   6.156
  316    HG2  GLN  42           HG2      GLN  42  -2.298  -4.075   6.679
  317    HG3  GLN  42           HG3      GLN  42  -2.649  -3.955   4.957
  318   HE21  GLN  42          HE21      GLN  42  -4.392  -4.587   7.478
  319   HE22  GLN  42          HE22      GLN  42  -5.260  -5.965   7.003
  320    H    THR  43           H        THR  43   1.624  -6.496   5.372
  321    HA   THR  43           HA       THR  43   2.138  -7.089   8.066
  322    HB   THR  43           HB       THR  43   4.082  -7.567   5.804
  323    HG1  THR  43           HG1      THR  43   2.041  -9.353   6.504
  324   HG21  THR  43          HG21      THR  43   4.284  -9.750   7.186
  325   HG22  THR  43          HG22      THR  43   3.464  -8.848   8.461
  326   HG23  THR  43          HG23      THR  43   5.018  -8.288   7.844
  327    H    MET  44           H        MET  44   3.449  -4.668   5.955
  328    HA   MET  44           HA       MET  44   5.751  -4.120   7.638
  329    HB2  MET  44           HB2      MET  44   5.630  -3.825   5.087
  330    HB3  MET  44           HB3      MET  44   4.707  -2.361   5.425
  331    HG2  MET  44           HG2      MET  44   6.625  -1.255   5.817
  332    HG3  MET  44           HG3      MET  44   6.973  -2.353   7.151
  333    HE1  MET  44           HE1      MET  44   9.049  -0.904   5.707
  334    HE2  MET  44           HE2      MET  44   8.476  -0.932   4.042
  335    HE3  MET  44           HE3      MET  44   9.989  -1.732   4.458
  336    H    LEU  45           H        LEU  45   2.458  -3.198   7.453
  337    HA   LEU  45           HA       LEU  45   2.764  -0.623   8.729
  338    HB2  LEU  45           HB2      LEU  45   0.500  -2.311   7.789
  339    HB3  LEU  45           HB3      LEU  45   0.161  -1.138   9.063
  340    HG   LEU  45           HG       LEU  45   1.534  -0.481   6.440
  341   HD11  LEU  45          HD11      LEU  45  -1.316  -0.531   7.295
  342   HD12  LEU  45          HD12      LEU  45  -0.620  -0.739   5.689
  343   HD13  LEU  45          HD13      LEU  45  -0.797   0.878   6.370
  344   HD21  LEU  45          HD21      LEU  45   1.156   0.927   8.969
  345   HD22  LEU  45          HD22      LEU  45   0.455   1.814   7.615
  346   HD23  LEU  45          HD23      LEU  45   2.160   1.365   7.586
  347    H    HIS  46           H        HIS  46   2.501  -3.910   9.730
  348    HA   HIS  46           HA       HIS  46   1.850  -3.107  12.490
  349    HB2  HIS  46           HB2      HIS  46   1.701  -5.720  11.004
  350    HB3  HIS  46           HB3      HIS  46   1.686  -5.671  12.768
  351    HD1  HIS  46           HD1      HIS  46  -0.312  -4.353  13.903
  352    HD2  HIS  46           HD2      HIS  46  -0.694  -4.891   9.786
  353    HE1  HIS  46           HE1      HIS  46  -2.723  -3.825  13.332
  354    H    GLN  47           H        GLN  47   3.972  -5.527  10.928
  355    HA   GLN  47           HA       GLN  47   5.732  -5.787  13.110
  356    HB2  GLN  47           HB2      GLN  47   6.416  -6.200  10.192
  357    HB3  GLN  47           HB3      GLN  47   7.201  -6.942  11.587
  358    HG2  GLN  47           HG2      GLN  47   4.732  -7.759  12.116
  359    HG3  GLN  47           HG3      GLN  47   4.527  -7.532  10.380
  360   HE21  GLN  47          HE21      GLN  47   6.789  -8.434   9.213
  361   HE22  GLN  47          HE22      GLN  47   7.147 -10.029   9.670
  Start of MODEL   17
    1    H1   ALA   1           H1       ALA   1  -5.925   5.541 -14.543
    2    H2   ALA   1           H2       ALA   1  -6.066   7.233 -14.599
    3    H3   ALA   1           H3       ALA   1  -7.215   6.255 -15.379
    4    HA   ALA   1           HA       ALA   1  -6.764   6.374 -12.448
    5    HB1  ALA   1           HB1      ALA   1  -9.382   7.153 -13.465
    6    HB2  ALA   1           HB2      ALA   1  -8.100   8.184 -14.101
    7    HB3  ALA   1           HB3      ALA   1  -8.313   8.013 -12.358
    8    H    ASP   2           H        ASP   2  -8.800   5.414 -11.381
    9    HA   ASP   2           HA       ASP   2  -9.902   3.446 -10.900
   10    HB2  ASP   2           HB2      ASP   2 -11.119   4.680 -13.017
   11    HB3  ASP   2           HB3      ASP   2 -10.818   3.072 -13.672
   12    H    ASP   3           H        ASP   3  -7.125   3.312 -12.086
   13    HA   ASP   3           HA       ASP   3  -7.114   0.831 -13.590
   14    HB2  ASP   3           HB2      ASP   3  -5.465   2.561 -14.105
   15    HB3  ASP   3           HB3      ASP   3  -4.852   2.492 -12.454
   16    H    LYS   4           H        LYS   4  -8.392   0.075 -11.454
   17    HA   LYS   4           HA       LYS   4  -8.293  -1.720  -9.973
   18    HB2  LYS   4           HB2      LYS   4  -5.894  -2.006 -11.179
   19    HB3  LYS   4           HB3      LYS   4  -5.363  -1.555  -9.558
   20    HG2  LYS   4           HG2      LYS   4  -6.575  -3.373  -8.562
   21    HG3  LYS   4           HG3      LYS   4  -7.406  -3.727 -10.078
   22    HD2  LYS   4           HD2      LYS   4  -5.036  -4.104 -11.054
   23    HD3  LYS   4           HD3      LYS   4  -4.512  -4.194  -9.371
   24    HE2  LYS   4           HE2      LYS   4  -5.116  -6.368  -9.420
   25    HE3  LYS   4           HE3      LYS   4  -6.787  -5.806  -9.455
   26    HZ1  LYS   4           HZ1      LYS   4  -6.103  -7.355 -11.294
   27    HZ2  LYS   4           HZ2      LYS   4  -5.144  -6.091 -11.903
   28    HZ3  LYS   4           HZ3      LYS   4  -6.830  -5.905 -11.789
   29    H    CYS   5           H        CYS   5  -6.580   1.269  -9.562
   30    HA   CYS   5           HA       CYS   5  -6.498   1.074  -6.661
   31    HB2  CYS   5           HB2      CYS   5  -5.967   3.521  -8.354
   32    HB3  CYS   5           HB3      CYS   5  -5.399   3.191  -6.717
   33    H    GLU   6           H        GLU   6  -7.888   3.507  -8.875
   34    HA   GLU   6           HA       GLU   6  -9.729   4.466  -6.913
   35    HB2  GLU   6           HB2      GLU   6  -8.813   5.288  -9.457
   36    HB3  GLU   6           HB3      GLU   6 -10.562   5.100  -9.596
   37    HG2  GLU   6           HG2      GLU   6 -10.909   6.539  -7.657
   38    HG3  GLU   6           HG3      GLU   6  -9.169   6.661  -7.401
   39    H    ASP   7           H        ASP   7  -9.697   1.593  -8.454
   40    HA   ASP   7           HA       ASP   7 -12.551   1.441  -9.060
   41    HB2  ASP   7           HB2      ASP   7 -10.632   0.309 -10.392
   42    HB3  ASP   7           HB3      ASP   7 -10.648  -0.885  -9.096
   43    H    SER   8           H        SER   8 -10.435   0.891  -6.442
   44    HA   SER   8           HA       SER   8 -12.585  -0.539  -5.003
   45    HB2  SER   8           HB2      SER   8 -10.188  -1.692  -5.671
   46    HB3  SER   8           HB3      SER   8  -9.849  -1.063  -4.061
   47    HG   SER   8           HG       SER   8 -12.275  -2.386  -4.523
   48    H    LEU   9           H        LEU   9 -13.381   0.987  -3.687
   49    HA   LEU   9           HA       LEU   9 -11.900   3.164  -2.627
   50    HB2  LEU   9           HB2      LEU   9 -14.595   1.966  -2.093
   51    HB3  LEU   9           HB3      LEU   9 -13.952   3.183  -0.992
   52    HG   LEU   9           HG       LEU   9 -15.368   4.082  -2.908
   53   HD11  LEU   9          HD11      LEU   9 -13.346   5.218  -1.590
   54   HD12  LEU   9          HD12      LEU   9 -14.132   6.036  -2.941
   55   HD13  LEU   9          HD13      LEU   9 -12.605   5.189  -3.191
   56   HD21  LEU   9          HD21      LEU   9 -14.273   2.427  -4.548
   57   HD22  LEU   9          HD22      LEU   9 -12.898   3.531  -4.562
   58   HD23  LEU   9          HD23      LEU   9 -14.479   4.084  -5.114
   59    H    ARG  10           H        ARG  10 -11.765  -0.069  -1.887
   60    HA   ARG  10           HA       ARG  10 -11.348   0.233   0.981
   61    HB2  ARG  10           HB2      ARG  10 -12.482  -1.772   0.172
   62    HB3  ARG  10           HB3      ARG  10 -11.093  -2.172  -0.839
   63    HG2  ARG  10           HG2      ARG  10  -9.675  -2.315   1.192
   64    HG3  ARG  10           HG3      ARG  10 -11.093  -1.979   2.187
   65    HD2  ARG  10           HD2      ARG  10 -11.955  -4.073   1.900
   66    HD3  ARG  10           HD3      ARG  10 -11.403  -4.181   0.231
   67    HE   ARG  10           HE       ARG  10  -9.385  -4.370   2.358
   68   HH11  ARG  10          HH21      ARG  10 -11.345  -5.847  -0.084
   69   HH12  ARG  10          HH22      ARG  10 -10.389  -7.288  -0.174
   70   HH21  ARG  10          HH11      ARG  10  -8.129  -6.258   2.247
   71   HH22  ARG  10          HH12      ARG  10  -8.570  -7.522   1.146
   72    H    ARG  11           H        ARG  11  -9.424  -0.947  -1.790
   73    HA   ARG  11           HA       ARG  11  -6.976  -1.016  -0.342
   74    HB2  ARG  11           HB2      ARG  11  -7.353  -0.815  -3.337
   75    HB3  ARG  11           HB3      ARG  11  -5.938  -1.430  -2.483
   76    HG2  ARG  11           HG2      ARG  11  -7.304  -3.250  -1.523
   77    HG3  ARG  11           HG3      ARG  11  -8.717  -2.641  -2.385
   78    HD2  ARG  11           HD2      ARG  11  -7.232  -2.871  -4.510
   79    HD3  ARG  11           HD3      ARG  11  -6.232  -3.918  -3.507
   80    HE   ARG  11           HE       ARG  11  -8.874  -4.792  -3.232
   81   HH11  ARG  11          HH21      ARG  11  -6.449  -4.450  -5.677
   82   HH12  ARG  11          HH22      ARG  11  -7.021  -5.782  -6.625
   83   HH21  ARG  11          HH11      ARG  11  -9.629  -6.540  -4.469
   84   HH22  ARG  11          HH12      ARG  11  -8.822  -6.966  -5.940
   85    H    GLU  12           H        GLU  12  -8.611   1.429  -2.249
   86    HA   GLU  12           HA       GLU  12  -6.520   3.212  -2.715
   87    HB2  GLU  12           HB2      GLU  12  -8.917   3.344  -3.559
   88    HB3  GLU  12           HB3      GLU  12  -9.327   4.053  -1.997
   89    HG2  GLU  12           HG2      GLU  12  -8.879   5.949  -3.294
   90    HG3  GLU  12           HG3      GLU  12  -7.336   5.670  -2.490
   91    H    ILE  13           H        ILE  13  -8.306   2.540   0.217
   92    HA   ILE  13           HA       ILE  13  -7.259   4.874   1.600
   93    HB   ILE  13           HB       ILE  13  -8.980   2.546   2.461
   94   HG12  ILE  13          HG12      ILE  13  -9.577   5.513   2.431
   95   HG13  ILE  13          HG13      ILE  13  -9.886   4.475   1.038
   96   HG21  ILE  13          HG21      ILE  13  -7.469   4.544   4.054
   97   HG22  ILE  13          HG22      ILE  13  -8.049   2.943   4.514
   98   HG23  ILE  13          HG23      ILE  13  -9.157   4.315   4.508
   99   HD11  ILE  13          HD11      ILE  13 -11.904   4.711   2.454
  100   HD12  ILE  13          HD12      ILE  13 -11.012   4.046   3.821
  101   HD13  ILE  13          HD13      ILE  13 -11.339   3.042   2.409
  102    H    ALA  14           H        ALA  14  -6.853   1.342   1.739
  103    HA   ALA  14           HA       ALA  14  -4.891   1.390   3.807
  104    HB1  ALA  14           HB1      ALA  14  -5.360  -0.737   1.704
  105    HB2  ALA  14           HB2      ALA  14  -6.251  -0.612   3.221
  106    HB3  ALA  14           HB3      ALA  14  -4.519  -0.945   3.241
  107    H    CYS  15           H        CYS  15  -4.737   1.301   0.276
  108    HA   CYS  15           HA       CYS  15  -1.945   0.996   0.020
  109    HB2  CYS  15           HB2      CYS  15  -3.250   0.612  -1.918
  110    HB3  CYS  15           HB3      CYS  15  -4.061   2.171  -1.780
  111    H    THR  16           H        THR  16  -3.992   3.835   0.450
  112    HA   THR  16           HA       THR  16  -2.074   5.818  -0.122
  113    HB   THR  16           HB       THR  16  -4.465   5.849   1.733
  114    HG1  THR  16           HG1      THR  16  -5.496   6.229  -0.041
  115   HG21  THR  16          HG21      THR  16  -2.361   7.850   1.168
  116   HG22  THR  16          HG22      THR  16  -3.445   7.713   2.554
  117   HG23  THR  16          HG23      THR  16  -4.018   8.446   1.054
  118    H    LYS  17           H        LYS  17  -2.936   4.148   2.867
  119    HA   LYS  17           HA       LYS  17  -1.285   5.559   4.638
  120    HB2  LYS  17           HB2      LYS  17  -2.451   2.793   4.598
  121    HB3  LYS  17           HB3      LYS  17  -1.309   3.243   5.859
  122    HG2  LYS  17           HG2      LYS  17  -3.241   5.355   5.544
  123    HG3  LYS  17           HG3      LYS  17  -4.084   3.823   5.752
  124    HD2  LYS  17           HD2      LYS  17  -2.459   3.401   7.712
  125    HD3  LYS  17           HD3      LYS  17  -2.091   5.124   7.606
  126    HE2  LYS  17           HE2      LYS  17  -3.843   5.110   9.152
  127    HE3  LYS  17           HE3      LYS  17  -4.702   5.401   7.641
  128    HZ1  LYS  17           HZ1      LYS  17  -4.379   2.635   7.989
  129    HZ2  LYS  17           HZ2      LYS  17  -5.821   3.532   7.935
  130    HZ3  LYS  17           HZ3      LYS  17  -5.029   3.278   9.417
  131    H    CYS  18           H        CYS  18  -0.616   2.767   2.570
  132    HA   CYS  18           HA       CYS  18   1.965   2.195   3.562
  133    HB2  CYS  18           HB2      CYS  18   0.291   1.358   1.338
  134    HB3  CYS  18           HB3      CYS  18   1.990   1.462   0.877
  135    H    ARG  19           H        ARG  19   0.909   4.207   0.811
  136    HA   ARG  19           HA       ARG  19   3.627   4.987   0.201
  137    HB2  ARG  19           HB2      ARG  19   2.042   4.804  -1.622
  138    HB3  ARG  19           HB3      ARG  19   0.967   5.970  -0.853
  139    HG2  ARG  19           HG2      ARG  19   3.587   7.127  -1.035
  140    HG3  ARG  19           HG3      ARG  19   3.135   6.501  -2.620
  141    HD2  ARG  19           HD2      ARG  19   1.011   7.729  -2.520
  142    HD3  ARG  19           HD3      ARG  19   1.419   8.326  -0.914
  143    HE   ARG  19           HE       ARG  19   3.421   8.974  -2.882
  144   HH11  ARG  19          HH21      ARG  19   0.359   9.836  -1.519
  145   HH12  ARG  19          HH22      ARG  19   0.491  11.512  -1.934
  146   HH21  ARG  19          HH11      ARG  19   3.598  11.169  -3.433
  147   HH22  ARG  19          HH12      ARG  19   2.325  12.267  -3.017
  148    H    ASP  20           H        ASP  20   0.832   6.412   1.827
  149    HA   ASP  20           HA       ASP  20   1.908   9.020   2.125
  150    HB2  ASP  20           HB2      ASP  20  -0.519   8.241   2.467
  151    HB3  ASP  20           HB3      ASP  20   0.002   7.736   4.074
  152    H    ARG  21           H        ARG  21   2.616   6.033   3.637
  153    HA   ARG  21           HA       ARG  21   3.637   7.124   6.105
  154    HB2  ARG  21           HB2      ARG  21   2.766   4.776   5.842
  155    HB3  ARG  21           HB3      ARG  21   4.203   4.414   4.886
  156    HG2  ARG  21           HG2      ARG  21   5.644   5.008   6.772
  157    HG3  ARG  21           HG3      ARG  21   4.236   5.472   7.728
  158    HD2  ARG  21           HD2      ARG  21   3.380   3.098   7.388
  159    HD3  ARG  21           HD3      ARG  21   4.971   2.707   6.743
  160    HE   ARG  21           HE       ARG  21   4.298   3.088   9.511
  161   HH11  ARG  21          HH21      ARG  21   6.762   3.432   7.106
  162   HH12  ARG  21          HH22      ARG  21   8.072   3.297   8.231
  163   HH21  ARG  21          HH11      ARG  21   6.010   2.912  10.992
  164   HH22  ARG  21          HH12      ARG  21   7.646   3.003  10.432
  165    H    VAL  22           H        VAL  22   4.924   6.195   2.966
  166    HA   VAL  22           HA       VAL  22   7.632   6.977   3.834
  167    HB   VAL  22           HB       VAL  22   6.893   5.668   1.218
  168   HG11  VAL  22          HG11      VAL  22   9.116   6.606   1.266
  169   HG12  VAL  22          HG12      VAL  22   9.277   4.860   1.463
  170   HG13  VAL  22          HG13      VAL  22   9.424   5.923   2.862
  171   HG21  VAL  22          HG21      VAL  22   6.152   3.969   2.580
  172   HG22  VAL  22          HG22      VAL  22   7.090   4.531   3.965
  173   HG23  VAL  22          HG23      VAL  22   7.880   3.625   2.675
  174    H    ARG  23           H        ARG  23   4.924   8.055   2.087
  175    HA   ARG  23           HA       ARG  23   4.524   9.907   0.794
  176    HB2  ARG  23           HB2      ARG  23   7.201  10.880   1.810
  177    HB3  ARG  23           HB3      ARG  23   5.858  11.859   1.217
  178    HG2  ARG  23           HG2      ARG  23   4.464  10.815   3.099
  179    HG3  ARG  23           HG3      ARG  23   5.993  10.238   3.764
  180    HD2  ARG  23           HD2      ARG  23   5.157  13.105   3.286
  181    HD3  ARG  23           HD3      ARG  23   5.533  12.340   4.825
  182    HE   ARG  23           HE       ARG  23   7.483  13.126   2.761
  183   HH11  ARG  23          HH21      ARG  23   6.722  11.829   5.885
  184   HH12  ARG  23          HH22      ARG  23   8.335  11.991   6.492
  185   HH21  ARG  23          HH11      ARG  23   9.592  13.339   3.559
  186   HH22  ARG  23          HH12      ARG  23   9.959  12.843   5.177
  187    H    THR  24           H        THR  24   5.527   7.768  -0.600
  188    HA   THR  24           HA       THR  24   7.216   9.107  -2.620
  189    HB   THR  24           HB       THR  24   7.425   6.151  -2.182
  190    HG1  THR  24           HG1      THR  24   9.295   6.818  -0.825
  191   HG21  THR  24          HG21      THR  24   9.512   8.194  -2.961
  192   HG22  THR  24          HG22      THR  24   8.438   7.437  -4.138
  193   HG23  THR  24          HG23      THR  24   9.560   6.448  -3.205
  194    H    ASP  25           H        ASP  25   5.801   9.485  -4.224
  195    HA   ASP  25           HA       ASP  25   3.451   8.204  -4.837
  196    HB2  ASP  25           HB2      ASP  25   4.291  10.283  -5.929
  197    HB3  ASP  25           HB3      ASP  25   5.410   9.297  -6.870
  198    H    ASP  26           H        ASP  26   6.671   7.035  -5.267
  199    HA   ASP  26           HA       ASP  26   6.034   5.061  -7.266
  200    HB2  ASP  26           HB2      ASP  26   8.423   5.523  -5.482
  201    HB3  ASP  26           HB3      ASP  26   8.311   4.139  -6.569
  202    H    TYR  27           H        TYR  27   6.025   5.222  -3.776
  203    HA   TYR  27           HA       TYR  27   6.034   2.437  -3.238
  204    HB2  TYR  27           HB2      TYR  27   5.507   4.913  -1.751
  205    HB3  TYR  27           HB3      TYR  27   4.559   3.535  -1.191
  206    HD1  TYR  27           HD1      TYR  27   8.045   4.013  -2.513
  207    HD2  TYR  27           HD2      TYR  27   5.546   2.425   0.598
  208    HE1  TYR  27           HE1      TYR  27  10.048   3.100  -1.370
  209    HE2  TYR  27           HE2      TYR  27   7.549   1.511   1.742
  210    HH   TYR  27           HH       TYR  27   9.823   1.611   1.821
  211    H    PHE  28           H        PHE  28   3.347   4.777  -3.458
  212    HA   PHE  28           HA       PHE  28   1.174   3.184  -3.035
  213    HB2  PHE  28           HB2      PHE  28   1.322   5.679  -3.730
  214    HB3  PHE  28           HB3      PHE  28   1.241   5.071  -5.383
  215    HD1  PHE  28           HD1      PHE  28  -0.717   3.626  -6.072
  216    HD2  PHE  28           HD2      PHE  28  -0.612   5.775  -2.357
  217    HE1  PHE  28           HE1      PHE  28  -3.173   3.385  -5.863
  218    HE2  PHE  28           HE2      PHE  28  -3.066   5.532  -2.145
  219    HZ   PHE  28           HZ       PHE  28  -4.351   4.337  -3.900
  220    H    TYR  29           H        TYR  29   2.632   3.756  -6.228
  221    HA   TYR  29           HA       TYR  29   1.211   2.024  -7.784
  222    HB2  TYR  29           HB2      TYR  29   4.058   2.915  -7.821
  223    HB3  TYR  29           HB3      TYR  29   3.572   1.621  -8.917
  224    HD1  TYR  29           HD2      TYR  29   1.311   2.040 -10.221
  225    HD2  TYR  29           HD1      TYR  29   3.743   5.130  -8.493
  226    HE1  TYR  29           HE2      TYR  29   0.267   3.705 -11.732
  227    HE2  TYR  29           HE1      TYR  29   2.698   6.796 -10.003
  228    HH   TYR  29           HH       TYR  29   1.536   6.752 -12.263
  229    H    GLU  30           H        GLU  30   3.634   1.193  -5.396
  230    HA   GLU  30           HA       GLU  30   3.994  -1.522  -6.192
  231    HB2  GLU  30           HB2      GLU  30   5.352   0.075  -4.535
  232    HB3  GLU  30           HB3      GLU  30   4.333  -0.731  -3.342
  233    HG2  GLU  30           HG2      GLU  30   6.193  -2.153  -3.471
  234    HG3  GLU  30           HG3      GLU  30   5.041  -2.920  -4.563
  235    H    CYS  31           H        CYS  31   1.686   0.168  -4.212
  236    HA   CYS  31           HA       CYS  31   0.615  -2.118  -2.879
  237    HB2  CYS  31           HB2      CYS  31  -1.023  -0.644  -2.037
  238    HB3  CYS  31           HB3      CYS  31   0.417   0.354  -2.212
  239    H    CYS  32           H        CYS  32  -0.598  -0.132  -5.588
  240    HA   CYS  32           HA       CYS  32  -2.826  -1.779  -6.151
  241    HB2  CYS  32           HB2      CYS  32  -1.556   0.566  -7.297
  242    HB3  CYS  32           HB3      CYS  32  -2.141  -0.530  -8.548
  243    H    THR  33           H        THR  33   0.345  -2.593  -6.374
  244    HA   THR  33           HA       THR  33   0.472  -3.858  -8.924
  245    HB   THR  33           HB       THR  33   2.016  -4.834  -6.539
  246    HG1  THR  33           HG1      THR  33   2.642  -2.522  -8.045
  247   HG21  THR  33          HG21      THR  33   3.313  -5.765  -8.125
  248   HG22  THR  33          HG22      THR  33   3.434  -4.242  -9.007
  249   HG23  THR  33          HG23      THR  33   2.069  -5.322  -9.293
  250    H    SER  34           H        SER  34   1.434  -6.452  -7.879
  251    HA   SER  34           HA       SER  34  -0.947  -7.941  -8.159
  252    HB2  SER  34           HB2      SER  34   1.818  -8.492  -8.003
  253    HB3  SER  34           HB3      SER  34   1.056  -9.430  -6.722
  254    HG   SER  34           HG       SER  34   0.265  -9.346  -9.452
  255    H    GLU  35           H        GLU  35  -1.598  -9.626  -6.441
  256    HA   GLU  35           HA       GLU  35  -2.447  -8.181  -4.104
  257    HB2  GLU  35           HB2      GLU  35  -3.855  -9.900  -5.243
  258    HB3  GLU  35           HB3      GLU  35  -2.718 -11.136  -4.700
  259    HG2  GLU  35           HG2      GLU  35  -3.392  -9.520  -2.443
  260    HG3  GLU  35           HG3      GLU  35  -4.892  -9.975  -3.247
  261    H    SER  36           H        SER  36  -0.100 -10.730  -4.800
  262    HA   SER  36           HA       SER  36   0.578 -11.517  -2.228
  263    HB2  SER  36           HB2      SER  36   2.167 -12.687  -3.304
  264    HB3  SER  36           HB3      SER  36   1.584 -11.945  -4.791
  265    HG   SER  36           HG       SER  36   3.863 -11.469  -3.341
  266    H    THR  37           H        THR  37   1.845  -8.785  -4.119
  267    HA   THR  37           HA       THR  37   3.714  -7.878  -2.214
  268    HB   THR  37           HB       THR  37   2.183  -6.160  -4.177
  269    HG1  THR  37           HG1      THR  37   3.767  -8.246  -4.619
  270   HG21  THR  37          HG21      THR  37   3.620  -4.535  -3.585
  271   HG22  THR  37          HG22      THR  37   5.001  -5.611  -3.797
  272   HG23  THR  37          HG23      THR  37   4.146  -5.568  -2.256
  273    H    PHE  38           H        PHE  38   0.270  -7.270  -2.632
  274    HA   PHE  38           HA       PHE  38  -0.097  -5.114  -0.918
  275    HB2  PHE  38           HB2      PHE  38  -1.766  -6.615  -2.388
  276    HB3  PHE  38           HB3      PHE  38  -2.106  -7.303  -0.800
  277    HD1  PHE  38           HD2      PHE  38  -2.753  -5.748   1.099
  278    HD2  PHE  38           HD1      PHE  38  -2.580  -4.468  -2.997
  279    HE1  PHE  38           HE2      PHE  38  -4.149  -3.777   1.658
  280    HE2  PHE  38           HE1      PHE  38  -3.976  -2.495  -2.438
  281    HZ   PHE  38           HZ       PHE  38  -4.760  -2.151  -0.111
  282    H    LYS  39           H        LYS  39  -0.271  -8.589  -0.127
  283    HA   LYS  39           HA       LYS  39  -0.769  -8.439   2.583
  284    HB2  LYS  39           HB2      LYS  39  -0.262 -10.467   0.870
  285    HB3  LYS  39           HB3      LYS  39   1.257 -10.441   1.765
  286    HG2  LYS  39           HG2      LYS  39  -0.180 -10.390   3.891
  287    HG3  LYS  39           HG3      LYS  39  -1.538 -10.819   2.849
  288    HD2  LYS  39           HD2      LYS  39   1.044 -12.394   3.080
  289    HD3  LYS  39           HD3      LYS  39  -0.481 -12.827   3.854
  290    HE2  LYS  39           HE2      LYS  39  -1.255 -12.445   1.240
  291    HE3  LYS  39           HE3      LYS  39   0.353 -13.145   1.050
  292    HZ1  LYS  39           HZ1      LYS  39  -1.001 -14.524   3.083
  293    HZ2  LYS  39           HZ2      LYS  39  -0.463 -15.114   1.582
  294    HZ3  LYS  39           HZ3      LYS  39  -2.019 -14.447   1.728
  295    H    LYS  40           H        LYS  40   2.319  -8.091   0.895
  296    HA   LYS  40           HA       LYS  40   3.983  -8.027   3.181
  297    HB2  LYS  40           HB2      LYS  40   4.305  -7.802   0.387
  298    HB3  LYS  40           HB3      LYS  40   4.984  -6.327   1.075
  299    HG2  LYS  40           HG2      LYS  40   6.281  -7.746   2.689
  300    HG3  LYS  40           HG3      LYS  40   5.698  -9.174   1.832
  301    HD2  LYS  40           HD2      LYS  40   6.712  -8.330  -0.260
  302    HD3  LYS  40           HD3      LYS  40   7.315  -6.917   0.610
  303    HE2  LYS  40           HE2      LYS  40   7.984  -9.568   1.778
  304    HE3  LYS  40           HE3      LYS  40   8.789  -9.154   0.265
  305    HZ1  LYS  40           HZ1      LYS  40   8.723  -6.980   2.133
  306    HZ2  LYS  40           HZ2      LYS  40  10.035  -7.631   1.271
  307    HZ3  LYS  40           HZ3      LYS  40   9.548  -8.333   2.739
  308    H    CYS  41           H        CYS  41   2.824  -5.320   1.159
  309    HA   CYS  41           HA       CYS  41   3.738  -3.236   2.761
  310    HB2  CYS  41           HB2      CYS  41   2.416  -3.365   0.408
  311    HB3  CYS  41           HB3      CYS  41   1.106  -2.835   1.464
  312    H    GLN  42           H        GLN  42   1.332  -5.526   3.466
  313    HA   GLN  42           HA       GLN  42  -0.187  -3.803   5.253
  314    HB2  GLN  42           HB2      GLN  42  -0.944  -5.953   3.852
  315    HB3  GLN  42           HB3      GLN  42  -0.477  -6.762   5.347
  316    HG2  GLN  42           HG2      GLN  42  -1.904  -5.091   6.594
  317    HG3  GLN  42           HG3      GLN  42  -2.492  -4.525   5.033
  318   HE21  GLN  42          HE21      GLN  42  -2.398  -7.394   7.167
  319   HE22  GLN  42          HE22      GLN  42  -3.731  -8.163   6.449
  320    H    THR  43           H        THR  43   2.218  -6.386   5.467
  321    HA   THR  43           HA       THR  43   2.141  -6.600   8.315
  322    HB   THR  43           HB       THR  43   4.651  -7.267   6.877
  323    HG1  THR  43           HG1      THR  43   3.150  -9.256   6.331
  324   HG21  THR  43          HG21      THR  43   4.363  -9.344   8.193
  325   HG22  THR  43          HG22      THR  43   2.796  -8.760   8.753
  326   HG23  THR  43          HG23      THR  43   4.270  -7.911   9.215
  327    H    MET  44           H        MET  44   3.814  -4.552   6.039
  328    HA   MET  44           HA       MET  44   5.803  -3.565   7.833
  329    HB2  MET  44           HB2      MET  44   4.663  -2.576   5.221
  330    HB3  MET  44           HB3      MET  44   5.867  -1.650   6.118
  331    HG2  MET  44           HG2      MET  44   6.628  -3.405   4.291
  332    HG3  MET  44           HG3      MET  44   7.530  -3.242   5.798
  333    HE1  MET  44           HE1      MET  44   7.537  -7.048   4.851
  334    HE2  MET  44           HE2      MET  44   8.371  -5.503   4.709
  335    HE3  MET  44           HE3      MET  44   7.056  -5.891   3.603
  336    H    LEU  45           H        LEU  45   2.453  -2.936   7.360
  337    HA   LEU  45           HA       LEU  45   2.474  -0.314   8.596
  338    HB2  LEU  45           HB2      LEU  45   0.316  -2.185   7.639
  339    HB3  LEU  45           HB3      LEU  45  -0.068  -0.730   8.558
  340    HG   LEU  45           HG       LEU  45   1.693  -0.648   6.105
  341   HD11  LEU  45          HD11      LEU  45  -1.218   0.090   6.037
  342   HD12  LEU  45          HD12      LEU  45  -0.748  -1.596   5.813
  343   HD13  LEU  45          HD13      LEU  45  -0.151  -0.359   4.707
  344   HD21  LEU  45          HD21      LEU  45   0.796   1.239   8.081
  345   HD22  LEU  45          HD22      LEU  45   0.102   1.680   6.520
  346   HD23  LEU  45          HD23      LEU  45   1.849   1.521   6.695
  347    H    HIS  46           H        HIS  46   1.353  -3.580   9.472
  348    HA   HIS  46           HA       HIS  46   0.415  -2.972  12.045
  349    HB2  HIS  46           HB2      HIS  46   1.465  -5.489  10.774
  350    HB3  HIS  46           HB3      HIS  46   0.989  -5.458  12.471
  351    HD1  HIS  46           HD1      HIS  46  -1.096  -3.082  10.817
  352    HD2  HIS  46           HD2      HIS  46  -1.121  -7.241  11.107
  353    HE1  HIS  46           HE1      HIS  46  -3.437  -3.830  10.203
  354    H    GLN  47           H        GLN  47   3.563  -4.372  11.100
  355    HA   GLN  47           HA       GLN  47   4.638  -3.756  13.748
  356    HB2  GLN  47           HB2      GLN  47   5.687  -5.287  11.370
  357    HB3  GLN  47           HB3      GLN  47   6.705  -4.893  12.755
  358    HG2  GLN  47           HG2      GLN  47   5.660  -6.388  14.116
  359    HG3  GLN  47           HG3      GLN  47   4.071  -6.043  13.436
  360   HE21  GLN  47          HE21      GLN  47   3.526  -8.300  13.114
  361   HE22  GLN  47          HE22      GLN  47   4.310  -9.249  11.946
  Start of MODEL   18
    1    H1   ALA   1           H1       ALA   1  -4.368   2.569 -14.923
    2    H2   ALA   1           H2       ALA   1  -3.673   3.007 -13.436
    3    H3   ALA   1           H3       ALA   1  -3.513   4.027 -14.785
    4    HA   ALA   1           HA       ALA   1  -5.189   4.776 -13.123
    5    HB1  ALA   1           HB1      ALA   1  -6.850   4.310 -15.474
    6    HB2  ALA   1           HB2      ALA   1  -5.219   4.813 -15.913
    7    HB3  ALA   1           HB3      ALA   1  -6.197   5.825 -14.850
    8    H    ASP   2           H        ASP   2  -6.943   4.259 -11.905
    9    HA   ASP   2           HA       ASP   2  -8.184   2.682 -10.696
   10    HB2  ASP   2           HB2      ASP   2  -9.558   2.209 -13.318
   11    HB3  ASP   2           HB3      ASP   2 -10.258   2.460 -11.719
   12    H    ASP   3           H        ASP   3  -6.143   1.241 -10.770
   13    HA   ASP   3           HA       ASP   3  -6.559  -1.172 -12.394
   14    HB2  ASP   3           HB2      ASP   3  -4.243  -0.202 -10.712
   15    HB3  ASP   3           HB3      ASP   3  -4.299  -1.808 -11.437
   16    H    LYS   4           H        LYS   4  -8.545  -1.020 -10.622
   17    HA   LYS   4           HA       LYS   4  -9.597  -2.461  -9.139
   18    HB2  LYS   4           HB2      LYS   4  -7.650  -4.060  -9.880
   19    HB3  LYS   4           HB3      LYS   4  -6.974  -3.648  -8.304
   20    HG2  LYS   4           HG2      LYS   4  -8.856  -4.522  -7.147
   21    HG3  LYS   4           HG3      LYS   4  -9.831  -4.579  -8.616
   22    HD2  LYS   4           HD2      LYS   4  -8.806  -6.499  -9.391
   23    HD3  LYS   4           HD3      LYS   4  -7.285  -6.145  -8.569
   24    HE2  LYS   4           HE2      LYS   4  -9.688  -6.655  -6.871
   25    HE3  LYS   4           HE3      LYS   4  -8.944  -8.038  -7.674
   26    HZ1  LYS   4           HZ1      LYS   4  -7.718  -6.160  -5.747
   27    HZ2  LYS   4           HZ2      LYS   4  -6.774  -7.150  -6.755
   28    HZ3  LYS   4           HZ3      LYS   4  -7.846  -7.848  -5.637
   29    H    CYS   5           H        CYS   5  -7.000  -0.378  -8.485
   30    HA   CYS   5           HA       CYS   5  -7.591  -0.342  -5.595
   31    HB2  CYS   5           HB2      CYS   5  -5.497   1.256  -5.697
   32    HB3  CYS   5           HB3      CYS   5  -5.286  -0.494  -5.749
   33    H    GLU   6           H        GLU   6  -6.635   2.095  -8.026
   34    HA   GLU   6           HA       GLU   6  -7.814   4.279  -6.734
   35    HB2  GLU   6           HB2      GLU   6  -6.504   3.772  -9.232
   36    HB3  GLU   6           HB3      GLU   6  -7.956   4.724  -9.540
   37    HG2  GLU   6           HG2      GLU   6  -7.253   6.315  -7.757
   38    HG3  GLU   6           HG3      GLU   6  -5.767   5.390  -7.550
   39    H    ASP   7           H        ASP   7  -9.271   1.639  -8.243
   40    HA   ASP   7           HA       ASP   7 -11.686   3.016  -9.085
   41    HB2  ASP   7           HB2      ASP   7 -10.612   0.859 -10.100
   42    HB3  ASP   7           HB3      ASP   7 -11.453   0.039  -8.787
   43    H    SER   8           H        SER   8 -10.783   0.648  -6.580
   44    HA   SER   8           HA       SER   8 -13.353   1.033  -5.242
   45    HB2  SER   8           HB2      SER   8 -11.039  -0.848  -4.868
   46    HB3  SER   8           HB3      SER   8 -12.249  -0.653  -3.605
   47    HG   SER   8           HG       SER   8 -12.392  -2.050  -5.882
   48    H    LEU   9           H        LEU   9 -13.560   2.746  -3.958
   49    HA   LEU   9           HA       LEU   9 -11.454   4.295  -2.932
   50    HB2  LEU   9           HB2      LEU   9 -14.385   4.090  -2.427
   51    HB3  LEU   9           HB3      LEU   9 -13.405   4.966  -1.250
   52    HG   LEU   9           HG       LEU   9 -13.054   5.517  -4.184
   53   HD11  LEU   9          HD11      LEU   9 -14.747   7.509  -3.236
   54   HD12  LEU   9          HD12      LEU   9 -15.450   6.027  -2.588
   55   HD13  LEU   9          HD13      LEU   9 -15.203   6.200  -4.326
   56   HD21  LEU   9          HD21      LEU   9 -12.438   7.749  -3.284
   57   HD22  LEU   9          HD22      LEU   9 -11.456   6.467  -2.574
   58   HD23  LEU   9          HD23      LEU   9 -12.785   7.173  -1.653
   59    H    ARG  10           H        ARG  10 -12.265   1.209  -2.079
   60    HA   ARG  10           HA       ARG  10 -11.688   1.498   0.775
   61    HB2  ARG  10           HB2      ARG  10 -12.446  -0.872  -0.943
   62    HB3  ARG  10           HB3      ARG  10 -12.033  -1.008   0.766
   63    HG2  ARG  10           HG2      ARG  10 -13.935   0.125   1.459
   64    HG3  ARG  10           HG3      ARG  10 -14.082   1.017  -0.055
   65    HD2  ARG  10           HD2      ARG  10 -14.843  -0.972  -1.217
   66    HD3  ARG  10           HD3      ARG  10 -14.542  -1.966   0.206
   67    HE   ARG  10           HE       ARG  10 -16.502  -1.110   1.176
   68   HH11  ARG  10          HH21      ARG  10 -15.669   0.492  -1.776
   69   HH12  ARG  10          HH22      ARG  10 -17.192   1.304  -1.927
   70   HH21  ARG  10          HH11      ARG  10 -18.502  -0.050   0.983
   71   HH22  ARG  10          HH12      ARG  10 -18.796   0.996  -0.365
   72    H    ARG  11           H        ARG  11 -10.400  -0.338  -2.003
   73    HA   ARG  11           HA       ARG  11  -8.041  -1.170  -0.638
   74    HB2  ARG  11           HB2      ARG  11  -8.575  -0.990  -3.613
   75    HB3  ARG  11           HB3      ARG  11  -7.280  -1.909  -2.844
   76    HG2  ARG  11           HG2      ARG  11  -8.786  -3.441  -1.866
   77    HG3  ARG  11           HG3      ARG  11 -10.165  -2.369  -2.101
   78    HD2  ARG  11           HD2      ARG  11 -10.554  -3.201  -4.156
   79    HD3  ARG  11           HD3      ARG  11  -8.876  -2.961  -4.632
   80    HE   ARG  11           HE       ARG  11 -10.069  -5.429  -3.782
   81   HH11  ARG  11          HH21      ARG  11  -7.176  -3.531  -3.801
   82   HH12  ARG  11          HH22      ARG  11  -6.114  -4.896  -3.698
   83   HH21  ARG  11          HH11      ARG  11  -8.683  -7.225  -3.645
   84   HH22  ARG  11          HH12      ARG  11  -6.968  -6.987  -3.609
   85    H    GLU  12           H        GLU  12  -8.982   1.797  -1.978
   86    HA   GLU  12           HA       GLU  12  -6.374   2.713  -2.791
   87    HB2  GLU  12           HB2      GLU  12  -8.253   3.739  -3.853
   88    HB3  GLU  12           HB3      GLU  12  -9.001   4.125  -2.302
   89    HG2  GLU  12           HG2      GLU  12  -7.178   5.671  -1.773
   90    HG3  GLU  12           HG3      GLU  12  -6.357   5.247  -3.275
   91    H    ILE  13           H        ILE  13  -8.522   3.396  -0.028
   92    HA   ILE  13           HA       ILE  13  -6.794   5.111   1.362
   93    HB   ILE  13           HB       ILE  13  -8.987   3.257   2.293
   94   HG12  ILE  13          HG12      ILE  13  -8.876   6.279   2.281
   95   HG13  ILE  13          HG13      ILE  13  -9.412   5.362   0.873
   96   HG21  ILE  13          HG21      ILE  13  -7.001   4.825   3.838
   97   HG22  ILE  13          HG22      ILE  13  -7.956   3.426   4.326
   98   HG23  ILE  13          HG23      ILE  13  -8.683   5.032   4.328
   99   HD11  ILE  13          HD11      ILE  13 -11.013   6.136   3.008
  100   HD12  ILE  13          HD12      ILE  13 -10.670   4.439   3.345
  101   HD13  ILE  13          HD13      ILE  13 -11.414   4.901   1.814
  102    H    ALA  14           H        ALA  14  -7.036   1.590   1.324
  103    HA   ALA  14           HA       ALA  14  -5.164   1.174   3.456
  104    HB1  ALA  14           HB1      ALA  14  -5.904  -0.788   1.280
  105    HB2  ALA  14           HB2      ALA  14  -6.929  -0.473   2.680
  106    HB3  ALA  14           HB3      ALA  14  -5.314  -1.146   2.904
  107    H    CYS  15           H        CYS  15  -4.932   1.747   0.046
  108    HA   CYS  15           HA       CYS  15  -2.188   0.791  -0.136
  109    HB2  CYS  15           HB2      CYS  15  -4.094   2.084  -2.083
  110    HB3  CYS  15           HB3      CYS  15  -2.394   1.823  -2.474
  111    H    THR  16           H        THR  16  -3.889   3.702   0.556
  112    HA   THR  16           HA       THR  16  -1.743   5.504  -0.129
  113    HB   THR  16           HB       THR  16  -3.856   6.310   1.805
  114    HG1  THR  16           HG1      THR  16  -4.377   5.846  -0.941
  115   HG21  THR  16          HG21      THR  16  -2.606   7.475  -0.694
  116   HG22  THR  16          HG22      THR  16  -2.336   7.986   0.972
  117   HG23  THR  16          HG23      THR  16  -3.902   8.261   0.208
  118    H    LYS  17           H        LYS  17  -3.187   4.396   2.942
  119    HA   LYS  17           HA       LYS  17  -1.516   5.629   4.743
  120    HB2  LYS  17           HB2      LYS  17  -2.687   2.843   4.849
  121    HB3  LYS  17           HB3      LYS  17  -1.935   3.650   6.226
  122    HG2  LYS  17           HG2      LYS  17  -4.207   4.884   4.653
  123    HG3  LYS  17           HG3      LYS  17  -4.474   3.873   6.073
  124    HD2  LYS  17           HD2      LYS  17  -2.577   5.590   7.022
  125    HD3  LYS  17           HD3      LYS  17  -3.437   6.638   5.894
  126    HE2  LYS  17           HE2      LYS  17  -5.592   5.731   7.003
  127    HE3  LYS  17           HE3      LYS  17  -4.529   5.169   8.292
  128    HZ1  LYS  17           HZ1      LYS  17  -3.658   7.492   8.397
  129    HZ2  LYS  17           HZ2      LYS  17  -5.275   7.315   8.887
  130    HZ3  LYS  17           HZ3      LYS  17  -4.913   7.955   7.356
  131    H    CYS  18           H        CYS  18  -0.768   3.058   2.545
  132    HA   CYS  18           HA       CYS  18   1.632   2.188   3.884
  133    HB2  CYS  18           HB2      CYS  18   0.027   1.219   1.804
  134    HB3  CYS  18           HB3      CYS  18   1.565   1.618   1.041
  135    H    ARG  19           H        ARG  19   0.911   4.157   1.016
  136    HA   ARG  19           HA       ARG  19   3.682   4.861   0.620
  137    HB2  ARG  19           HB2      ARG  19   2.408   4.811  -1.364
  138    HB3  ARG  19           HB3      ARG  19   1.086   5.726  -0.639
  139    HG2  ARG  19           HG2      ARG  19   3.712   7.090  -0.622
  140    HG3  ARG  19           HG3      ARG  19   3.005   6.844  -2.220
  141    HD2  ARG  19           HD2      ARG  19   1.214   8.222  -1.791
  142    HD3  ARG  19           HD3      ARG  19   1.195   7.841  -0.072
  143    HE   ARG  19           HE       ARG  19   2.857   9.493   0.277
  144   HH11  ARG  19          HH21      ARG  19   1.987   9.070  -3.046
  145   HH12  ARG  19          HH22      ARG  19   2.708  10.557  -3.566
  146   HH21  ARG  19          HH11      ARG  19   3.800  11.446  -0.399
  147   HH22  ARG  19          HH12      ARG  19   3.732  11.902  -2.069
  148    H    ASP  20           H        ASP  20   0.763   6.526   1.782
  149    HA   ASP  20           HA       ASP  20   1.705   9.058   2.214
  150    HB2  ASP  20           HB2      ASP  20  -0.419   7.422   3.276
  151    HB3  ASP  20           HB3      ASP  20   0.266   8.423   4.555
  152    H    ARG  21           H        ARG  21   2.552   6.132   3.925
  153    HA   ARG  21           HA       ARG  21   3.803   7.449   6.152
  154    HB2  ARG  21           HB2      ARG  21   2.954   5.094   6.214
  155    HB3  ARG  21           HB3      ARG  21   4.275   4.638   5.135
  156    HG2  ARG  21           HG2      ARG  21   5.879   4.897   6.761
  157    HG3  ARG  21           HG3      ARG  21   4.999   6.196   7.570
  158    HD2  ARG  21           HD2      ARG  21   3.485   4.652   8.596
  159    HD3  ARG  21           HD3      ARG  21   4.054   3.323   7.590
  160    HE   ARG  21           HE       ARG  21   5.767   3.012   9.113
  161   HH11  ARG  21          HH21      ARG  21   4.494   6.221   9.354
  162   HH12  ARG  21          HH22      ARG  21   5.468   6.655  10.718
  163   HH21  ARG  21          HH11      ARG  21   7.048   3.573  10.903
  164   HH22  ARG  21          HH12      ARG  21   6.914   5.156  11.595
  165    H    VAL  22           H        VAL  22   5.033   5.822   3.225
  166    HA   VAL  22           HA       VAL  22   7.726   6.805   3.760
  167    HB   VAL  22           HB       VAL  22   6.768   5.289   1.329
  168   HG11  VAL  22          HG11      VAL  22   9.430   4.748   2.381
  169   HG12  VAL  22          HG12      VAL  22   9.219   6.459   2.011
  170   HG13  VAL  22          HG13      VAL  22   8.953   5.247   0.758
  171   HG21  VAL  22          HG21      VAL  22   6.266   3.628   2.799
  172   HG22  VAL  22          HG22      VAL  22   7.091   4.440   4.130
  173   HG23  VAL  22          HG23      VAL  22   8.013   3.465   2.985
  174    H    ARG  23           H        ARG  23   4.980   8.048   2.365
  175    HA   ARG  23           HA       ARG  23   4.548   9.712   0.823
  176    HB2  ARG  23           HB2      ARG  23   7.197  10.949   1.340
  177    HB3  ARG  23           HB3      ARG  23   5.585  11.664   1.399
  178    HG2  ARG  23           HG2      ARG  23   5.149  10.411   3.515
  179    HG3  ARG  23           HG3      ARG  23   6.813   9.826   3.475
  180    HD2  ARG  23           HD2      ARG  23   7.708  11.925   3.917
  181    HD3  ARG  23           HD3      ARG  23   6.312  12.772   3.257
  182    HE   ARG  23           HE       ARG  23   5.229  11.593   5.408
  183   HH11  ARG  23          HH21      ARG  23   8.211  13.290   4.953
  184   HH12  ARG  23          HH22      ARG  23   8.275  13.893   6.575
  185   HH21  ARG  23          HH11      ARG  23   5.306  12.382   7.536
  186   HH22  ARG  23          HH12      ARG  23   6.630  13.379   8.037
  187    H    THR  24           H        THR  24   5.466   7.507  -0.492
  188    HA   THR  24           HA       THR  24   7.253   8.673  -2.545
  189    HB   THR  24           HB       THR  24   7.071   5.727  -1.908
  190    HG1  THR  24           HG1      THR  24   7.923   6.612  -0.100
  191   HG21  THR  24          HG21      THR  24   9.127   7.412  -3.363
  192   HG22  THR  24          HG22      THR  24   7.923   6.382  -4.137
  193   HG23  THR  24          HG23      THR  24   9.191   5.663  -3.146
  194    H    ASP  25           H        ASP  25   5.879   9.243  -4.137
  195    HA   ASP  25           HA       ASP  25   3.401   8.288  -4.776
  196    HB2  ASP  25           HB2      ASP  25   4.209   8.793  -7.249
  197    HB3  ASP  25           HB3      ASP  25   3.985  10.094  -6.081
  198    H    ASP  26           H        ASP  26   6.342   6.579  -4.964
  199    HA   ASP  26           HA       ASP  26   5.465   4.692  -6.987
  200    HB2  ASP  26           HB2      ASP  26   7.923   5.465  -6.227
  201    HB3  ASP  26           HB3      ASP  26   7.745   4.045  -5.197
  202    H    TYR  27           H        TYR  27   6.050   4.655  -3.472
  203    HA   TYR  27           HA       TYR  27   5.485   2.057  -2.835
  204    HB2  TYR  27           HB2      TYR  27   5.121   4.649  -1.459
  205    HB3  TYR  27           HB3      TYR  27   4.164   3.310  -0.828
  206    HD1  TYR  27           HD1      TYR  27   7.614   3.573  -2.293
  207    HD2  TYR  27           HD2      TYR  27   5.181   2.349   1.029
  208    HE1  TYR  27           HE1      TYR  27   9.623   2.666  -1.155
  209    HE2  TYR  27           HE2      TYR  27   7.188   1.442   2.166
  210    HH   TYR  27           HH       TYR  27  10.403   1.606   0.626
  211    H    PHE  28           H        PHE  28   3.127   4.645  -3.464
  212    HA   PHE  28           HA       PHE  28   0.785   3.286  -2.881
  213    HB2  PHE  28           HB2      PHE  28   0.957   5.699  -3.473
  214    HB3  PHE  28           HB3      PHE  28   1.211   5.232  -5.157
  215    HD1  PHE  28           HD2      PHE  28  -1.113   4.475  -2.319
  216    HD2  PHE  28           HD1      PHE  28  -0.652   5.115  -6.538
  217    HE1  PHE  28           HE2      PHE  28  -3.554   4.237  -2.621
  218    HE2  PHE  28           HE1      PHE  28  -3.096   4.874  -6.843
  219    HZ   PHE  28           HZ       PHE  28  -4.556   4.437  -4.884
  220    H    TYR  29           H        TYR  29   2.424   3.539  -6.039
  221    HA   TYR  29           HA       TYR  29   0.704   1.801  -7.430
  222    HB2  TYR  29           HB2      TYR  29   3.499   2.790  -7.862
  223    HB3  TYR  29           HB3      TYR  29   2.864   1.505  -8.891
  224    HD1  TYR  29           HD2      TYR  29   2.441   5.018  -7.831
  225    HD2  TYR  29           HD1      TYR  29   1.063   1.916 -10.461
  226    HE1  TYR  29           HE2      TYR  29   1.183   6.698  -9.151
  227    HE2  TYR  29           HE1      TYR  29  -0.196   3.595 -11.782
  228    HH   TYR  29           HH       TYR  29  -1.086   6.411 -10.802
  229    H    GLU  30           H        GLU  30   3.183   1.170  -5.123
  230    HA   GLU  30           HA       GLU  30   3.714  -1.534  -5.981
  231    HB2  GLU  30           HB2      GLU  30   4.615   0.246  -3.793
  232    HB3  GLU  30           HB3      GLU  30   4.626  -1.482  -3.439
  233    HG2  GLU  30           HG2      GLU  30   6.778  -0.805  -4.402
  234    HG3  GLU  30           HG3      GLU  30   5.928  -1.881  -5.508
  235    H    CYS  31           H        CYS  31   1.215  -0.007  -4.265
  236    HA   CYS  31           HA       CYS  31   0.535  -2.326  -2.635
  237    HB2  CYS  31           HB2      CYS  31   0.115  -0.089  -1.733
  238    HB3  CYS  31           HB3      CYS  31  -0.929   0.284  -3.103
  239    H    CYS  32           H        CYS  32  -0.536  -0.717  -5.579
  240    HA   CYS  32           HA       CYS  32  -2.847  -2.396  -5.948
  241    HB2  CYS  32           HB2      CYS  32  -2.297   0.007  -6.896
  242    HB3  CYS  32           HB3      CYS  32  -1.559  -0.915  -8.204
  243    H    THR  33           H        THR  33   0.491  -2.776  -6.451
  244    HA   THR  33           HA       THR  33   0.698  -4.273  -8.772
  245    HB   THR  33           HB       THR  33   2.198  -4.970  -6.250
  246    HG1  THR  33           HG1      THR  33   3.319  -3.099  -7.878
  247   HG21  THR  33          HG21      THR  33   3.861  -4.786  -8.513
  248   HG22  THR  33          HG22      THR  33   2.402  -5.609  -9.068
  249   HG23  THR  33          HG23      THR  33   3.322  -6.260  -7.711
  250    H    SER  34           H        SER  34   1.663  -6.779  -8.092
  251    HA   SER  34           HA       SER  34  -0.554  -8.414  -8.259
  252    HB2  SER  34           HB2      SER  34   1.027  -9.986  -8.481
  253    HB3  SER  34           HB3      SER  34   2.232  -8.766  -8.079
  254    HG   SER  34           HG       SER  34   2.286 -10.578  -6.662
  255    H    GLU  35           H        GLU  35  -0.655 -10.341  -6.439
  256    HA   GLU  35           HA       GLU  35  -1.933  -9.038  -4.183
  257    HB2  GLU  35           HB2      GLU  35  -1.605 -12.002  -4.683
  258    HB3  GLU  35           HB3      GLU  35  -2.790 -11.213  -3.641
  259    HG2  GLU  35           HG2      GLU  35  -3.524  -9.977  -5.816
  260    HG3  GLU  35           HG3      GLU  35  -2.671 -11.278  -6.648
  261    H    SER  36           H        SER  36   1.000 -10.814  -4.852
  262    HA   SER  36           HA       SER  36   1.724 -11.598  -2.264
  263    HB2  SER  36           HB2      SER  36   3.326 -10.869  -4.705
  264    HB3  SER  36           HB3      SER  36   4.112 -11.331  -3.198
  265    HG   SER  36           HG       SER  36   3.742 -13.295  -3.836
  266    H    THR  37           H        THR  37   3.041  -8.777  -4.010
  267    HA   THR  37           HA       THR  37   4.272  -7.546  -1.851
  268    HB   THR  37           HB       THR  37   2.930  -6.116  -4.153
  269    HG1  THR  37           HG1      THR  37   4.577  -7.995  -4.408
  270   HG21  THR  37          HG21      THR  37   5.034  -5.431  -2.127
  271   HG22  THR  37          HG22      THR  37   3.688  -4.452  -2.709
  272   HG23  THR  37          HG23      THR  37   5.105  -4.697  -3.729
  273    H    PHE  38           H        PHE  38   0.902  -7.401  -2.871
  274    HA   PHE  38           HA       PHE  38  -0.012  -5.249  -1.371
  275    HB2  PHE  38           HB2      PHE  38  -1.212  -6.980  -3.016
  276    HB3  PHE  38           HB3      PHE  38  -1.723  -7.682  -1.481
  277    HD1  PHE  38           HD1      PHE  38  -2.336  -5.681   0.333
  278    HD2  PHE  38           HD2      PHE  38  -2.731  -5.491  -3.941
  279    HE1  PHE  38           HE1      PHE  38  -4.050  -3.904   0.570
  280    HE2  PHE  38           HE2      PHE  38  -4.445  -3.715  -3.704
  281    HZ   PHE  38           HZ       PHE  38  -5.105  -2.922  -1.448
  282    H    LYS  39           H        LYS  39   0.176  -8.671  -0.395
  283    HA   LYS  39           HA       LYS  39  -0.801  -8.330   2.221
  284    HB2  LYS  39           HB2      LYS  39   1.055 -10.400   1.038
  285    HB3  LYS  39           HB3      LYS  39   0.402 -10.497   2.672
  286    HG2  LYS  39           HG2      LYS  39  -1.911 -10.174   1.510
  287    HG3  LYS  39           HG3      LYS  39  -1.059 -10.671   0.047
  288    HD2  LYS  39           HD2      LYS  39  -0.241 -12.696   1.307
  289    HD3  LYS  39           HD3      LYS  39  -1.311 -12.232   2.630
  290    HE2  LYS  39           HE2      LYS  39  -3.242 -12.679   1.405
  291    HE3  LYS  39           HE3      LYS  39  -2.429 -12.463  -0.145
  292    HZ1  LYS  39           HZ1      LYS  39  -1.062 -14.513   0.802
  293    HZ2  LYS  39           HZ2      LYS  39  -2.485 -14.705  -0.107
  294    HZ3  LYS  39           HZ3      LYS  39  -2.537 -14.802   1.587
  295    H    LYS  40           H        LYS  40   2.389  -7.853   0.853
  296    HA   LYS  40           HA       LYS  40   3.795  -7.832   3.338
  297    HB2  LYS  40           HB2      LYS  40   4.404  -7.236   0.512
  298    HB3  LYS  40           HB3      LYS  40   5.392  -6.385   1.700
  299    HG2  LYS  40           HG2      LYS  40   5.911  -8.532   2.806
  300    HG3  LYS  40           HG3      LYS  40   4.934  -9.381   1.609
  301    HD2  LYS  40           HD2      LYS  40   7.075  -9.602   0.709
  302    HD3  LYS  40           HD3      LYS  40   6.488  -8.160  -0.120
  303    HE2  LYS  40           HE2      LYS  40   8.782  -7.844   0.788
  304    HE3  LYS  40           HE3      LYS  40   7.624  -6.726   1.509
  305    HZ1  LYS  40           HZ1      LYS  40   7.721  -7.761   3.503
  306    HZ2  LYS  40           HZ2      LYS  40   9.274  -8.177   2.954
  307    HZ3  LYS  40           HZ3      LYS  40   8.000  -9.296   2.835
  308    H    CYS  41           H        CYS  41   2.515  -5.246   1.244
  309    HA   CYS  41           HA       CYS  41   3.469  -3.016   2.524
  310    HB2  CYS  41           HB2      CYS  41   1.525  -3.489   0.621
  311    HB3  CYS  41           HB3      CYS  41   0.612  -2.774   1.948
  312    H    GLN  42           H        GLN  42   0.660  -4.976   3.465
  313    HA   GLN  42           HA       GLN  42   0.005  -3.381   5.747
  314    HB2  GLN  42           HB2      GLN  42  -0.887  -5.944   4.567
  315    HB3  GLN  42           HB3      GLN  42  -1.093  -5.797   6.313
  316    HG2  GLN  42           HG2      GLN  42  -3.033  -4.962   4.850
  317    HG3  GLN  42           HG3      GLN  42  -2.452  -3.861   6.098
  318   HE21  GLN  42          HE21      GLN  42  -2.911  -1.867   5.025
  319   HE22  GLN  42          HE22      GLN  42  -2.175  -1.418   3.563
  320    H    THR  43           H        THR  43   2.039  -6.178   5.151
  321    HA   THR  43           HA       THR  43   2.500  -6.915   7.847
  322    HB   THR  43           HB       THR  43   4.271  -7.280   5.417
  323    HG1  THR  43           HG1      THR  43   1.926  -8.217   5.875
  324   HG21  THR  43          HG21      THR  43   5.724  -8.346   6.762
  325   HG22  THR  43          HG22      THR  43   4.430  -9.323   7.457
  326   HG23  THR  43          HG23      THR  43   4.807  -7.743   8.142
  327    H    MET  44           H        MET  44   4.067  -4.627   5.664
  328    HA   MET  44           HA       MET  44   6.266  -4.019   7.371
  329    HB2  MET  44           HB2      MET  44   5.093  -2.925   4.885
  330    HB3  MET  44           HB3      MET  44   5.988  -1.772   5.875
  331    HG2  MET  44           HG2      MET  44   7.981  -3.044   5.763
  332    HG3  MET  44           HG3      MET  44   7.126  -4.486   5.211
  333    HE1  MET  44           HE1      MET  44   9.738  -2.766   4.094
  334    HE2  MET  44           HE2      MET  44   8.886  -1.248   4.372
  335    HE3  MET  44           HE3      MET  44   9.379  -1.687   2.739
  336    H    LEU  45           H        LEU  45   3.148  -2.413   6.765
  337    HA   LEU  45           HA       LEU  45   3.241  -0.160   8.227
  338    HB2  LEU  45           HB2      LEU  45   1.117  -2.220   7.881
  339    HB3  LEU  45           HB3      LEU  45   0.858  -0.986   9.113
  340    HG   LEU  45           HG       LEU  45   1.665  -0.330   6.271
  341   HD11  LEU  45          HD11      LEU  45  -1.003  -0.886   7.492
  342   HD12  LEU  45          HD12      LEU  45  -0.442  -1.169   5.844
  343   HD13  LEU  45          HD13      LEU  45  -0.889   0.459   6.356
  344   HD21  LEU  45          HD21      LEU  45   2.015   1.667   7.293
  345   HD22  LEU  45          HD22      LEU  45   1.162   1.165   8.752
  346   HD23  LEU  45          HD23      LEU  45   0.257   1.781   7.371
  347    H    HIS  46           H        HIS  46   3.265  -3.425   9.514
  348    HA   HIS  46           HA       HIS  46   4.536  -2.707  11.918
  349    HB2  HIS  46           HB2      HIS  46   2.330  -1.677  12.424
  350    HB3  HIS  46           HB3      HIS  46   1.578  -3.262  12.240
  351    HD1  HIS  46           HD1      HIS  46   4.950  -2.873  13.851
  352    HD2  HIS  46           HD2      HIS  46   0.999  -3.516  15.015
  353    HE1  HIS  46           HE1      HIS  46   5.019  -3.505  16.302
  354    H    GLN  47           H        GLN  47   5.477  -4.582  10.587
  355    HA   GLN  47           HA       GLN  47   4.487  -7.090  10.294
  356    HB2  GLN  47           HB2      GLN  47   6.776  -6.515   9.675
  357    HB3  GLN  47           HB3      GLN  47   7.223  -6.375  11.376
  358    HG2  GLN  47           HG2      GLN  47   7.452  -8.610  11.602
  359    HG3  GLN  47           HG3      GLN  47   5.925  -8.924  10.779
  360   HE21  GLN  47          HE21      GLN  47   9.334  -8.000  10.057
  361   HE22  GLN  47          HE22      GLN  47   9.378  -8.786   8.553
  Start of MODEL   19
    1    H1   ALA   1           H1       ALA   1 -13.039   3.676 -12.635
    2    H2   ALA   1           H2       ALA   1 -14.168   4.411 -13.671
    3    H3   ALA   1           H3       ALA   1 -12.671   5.158 -13.374
    4    HA   ALA   1           HA       ALA   1 -13.304   3.428 -15.437
    5    HB1  ALA   1           HB1      ALA   1 -11.552   5.365 -15.088
    6    HB2  ALA   1           HB2      ALA   1 -11.204   4.063 -16.227
    7    HB3  ALA   1           HB3      ALA   1 -10.482   4.044 -14.617
    8    H    ASP   2           H        ASP   2 -12.712   2.499 -12.335
    9    HA   ASP   2           HA       ASP   2 -11.680   0.641 -11.345
   10    HB2  ASP   2           HB2      ASP   2 -12.699  -1.422 -12.822
   11    HB3  ASP   2           HB3      ASP   2 -13.594  -0.543 -11.584
   12    H    ASP   3           H        ASP   3 -10.012   1.846 -13.423
   13    HA   ASP   3           HA       ASP   3  -8.869  -0.333 -14.945
   14    HB2  ASP   3           HB2      ASP   3  -8.607   2.573 -14.832
   15    HB3  ASP   3           HB3      ASP   3  -7.054   1.759 -15.013
   16    H    LYS   4           H        LYS   4  -8.400   1.117 -11.847
   17    HA   LYS   4           HA       LYS   4  -6.614  -0.890 -10.972
   18    HB2  LYS   4           HB2      LYS   4  -5.244   0.816 -12.534
   19    HB3  LYS   4           HB3      LYS   4  -5.137   1.687 -11.005
   20    HG2  LYS   4           HG2      LYS   4  -4.285  -0.373  -9.912
   21    HG3  LYS   4           HG3      LYS   4  -4.332  -1.199 -11.470
   22    HD2  LYS   4           HD2      LYS   4  -2.849   0.728 -12.331
   23    HD3  LYS   4           HD3      LYS   4  -2.577   1.108 -10.631
   24    HE2  LYS   4           HE2      LYS   4  -0.800  -0.370 -11.412
   25    HE3  LYS   4           HE3      LYS   4  -1.818  -1.243 -10.266
   26    HZ1  LYS   4           HZ1      LYS   4  -3.024  -2.196 -12.143
   27    HZ2  LYS   4           HZ2      LYS   4  -1.373  -2.588 -12.206
   28    HZ3  LYS   4           HZ3      LYS   4  -2.003  -1.385 -13.227
   29    H    CYS   5           H        CYS   5  -7.327  -1.071  -8.960
   30    HA   CYS   5           HA       CYS   5  -7.880  -0.547  -6.797
   31    HB2  CYS   5           HB2      CYS   5  -6.933   2.265  -7.072
   32    HB3  CYS   5           HB3      CYS   5  -6.683   1.116  -5.756
   33    H    GLU   6           H        GLU   6  -8.717   1.714  -9.334
   34    HA   GLU   6           HA       GLU   6 -10.698   3.204  -8.015
   35    HB2  GLU   6           HB2      GLU   6 -10.063   2.538 -10.846
   36    HB3  GLU   6           HB3      GLU   6 -11.684   3.145 -10.507
   37    HG2  GLU   6           HG2      GLU   6 -10.741   5.110  -9.385
   38    HG3  GLU   6           HG3      GLU   6  -9.109   4.497  -9.651
   39    H    ASP   7           H        ASP   7 -10.686  -0.036  -9.290
   40    HA   ASP   7           HA       ASP   7 -13.503  -0.432  -9.392
   41    HB2  ASP   7           HB2      ASP   7 -12.467  -2.925  -8.925
   42    HB3  ASP   7           HB3      ASP   7 -12.596  -2.176 -10.515
   43    H    SER   8           H        SER   8 -11.059  -0.769  -6.883
   44    HA   SER   8           HA       SER   8 -13.233  -1.254  -4.937
   45    HB2  SER   8           HB2      SER   8 -10.474  -2.435  -4.658
   46    HB3  SER   8           HB3      SER   8 -11.933  -2.847  -3.762
   47    HG   SER   8           HG       SER   8 -11.053  -3.705  -6.206
   48    H    LEU   9           H        LEU   9 -13.216   1.023  -4.519
   49    HA   LEU   9           HA       LEU   9 -10.967   2.539  -3.829
   50    HB2  LEU   9           HB2      LEU   9 -13.638   3.052  -4.056
   51    HB3  LEU   9           HB3      LEU   9 -13.420   3.139  -2.308
   52    HG   LEU   9           HG       LEU   9 -11.425   4.654  -2.747
   53   HD11  LEU   9          HD11      LEU   9 -10.771   4.539  -4.936
   54   HD12  LEU   9          HD12      LEU   9 -11.972   5.813  -5.139
   55   HD13  LEU   9          HD13      LEU   9 -12.393   4.140  -5.505
   56   HD21  LEU   9          HD21      LEU   9 -13.915   5.878  -3.905
   57   HD22  LEU   9          HD22      LEU   9 -12.782   6.559  -2.736
   58   HD23  LEU   9          HD23      LEU   9 -13.922   5.309  -2.235
   59    H    ARG  10           H        ARG  10 -12.436  -0.056  -2.196
   60    HA   ARG  10           HA       ARG  10 -11.791   0.683   0.494
   61    HB2  ARG  10           HB2      ARG  10 -12.480  -1.940  -0.831
   62    HB3  ARG  10           HB3      ARG  10 -12.095  -1.823   0.886
   63    HG2  ARG  10           HG2      ARG  10 -14.017   0.210   0.027
   64    HG3  ARG  10           HG3      ARG  10 -14.605  -1.432  -0.234
   65    HD2  ARG  10           HD2      ARG  10 -13.943  -1.960   2.140
   66    HD3  ARG  10           HD3      ARG  10 -13.593  -0.248   2.363
   67    HE   ARG  10           HE       ARG  10 -15.905   0.201   2.288
   68   HH11  ARG  10          HH21      ARG  10 -15.149  -3.106   1.610
   69   HH12  ARG  10          HH22      ARG  10 -16.782  -3.658   1.780
   70   HH21  ARG  10          HH11      ARG  10 -18.048  -0.514   2.513
   71   HH22  ARG  10          HH12      ARG  10 -18.423  -2.190   2.291
   72    H    ARG  11           H        ARG  11 -10.007  -0.528  -2.169
   73    HA   ARG  11           HA       ARG  11  -7.826  -1.501  -0.456
   74    HB2  ARG  11           HB2      ARG  11  -8.601  -1.871  -3.312
   75    HB3  ARG  11           HB3      ARG  11  -6.887  -1.959  -2.906
   76    HG2  ARG  11           HG2      ARG  11  -7.227  -3.765  -1.398
   77    HG3  ARG  11           HG3      ARG  11  -8.973  -3.508  -1.362
   78    HD2  ARG  11           HD2      ARG  11  -9.149  -4.185  -3.708
   79    HD3  ARG  11           HD3      ARG  11  -7.401  -4.372  -3.806
   80    HE   ARG  11           HE       ARG  11  -7.682  -6.467  -2.881
   81   HH11  ARG  11          HH21      ARG  11 -10.299  -4.393  -1.967
   82   HH12  ARG  11          HH22      ARG  11 -11.154  -5.625  -1.101
   83   HH21  ARG  11          HH11      ARG  11  -8.800  -8.087  -1.746
   84   HH22  ARG  11          HH12      ARG  11 -10.305  -7.716  -0.976
   85    H    GLU  12           H        GLU  12  -8.812   1.230  -2.258
   86    HA   GLU  12           HA       GLU  12  -6.171   2.240  -2.838
   87    HB2  GLU  12           HB2      GLU  12  -8.034   2.871  -4.272
   88    HB3  GLU  12           HB3      GLU  12  -8.889   3.574  -2.899
   89    HG2  GLU  12           HG2      GLU  12  -6.183   4.627  -3.125
   90    HG3  GLU  12           HG3      GLU  12  -7.112   4.905  -4.597
   91    H    ILE  13           H        ILE  13  -8.509   2.532  -0.252
   92    HA   ILE  13           HA       ILE  13  -7.313   4.819   0.992
   93    HB   ILE  13           HB       ILE  13  -9.081   2.712   2.253
   94   HG12  ILE  13          HG12      ILE  13 -10.071   5.325   1.156
   95   HG13  ILE  13          HG13      ILE  13  -9.834   3.971   0.053
   96   HG21  ILE  13          HG21      ILE  13  -7.988   5.347   3.059
   97   HG22  ILE  13          HG22      ILE  13  -8.511   3.991   4.059
   98   HG23  ILE  13          HG23      ILE  13  -9.704   5.105   3.389
   99   HD11  ILE  13          HD11      ILE  13 -11.553   3.959   2.550
  100   HD12  ILE  13          HD12      ILE  13 -11.269   2.561   1.514
  101   HD13  ILE  13          HD13      ILE  13 -12.136   3.962   0.886
  102    H    ALA  14           H        ALA  14  -6.911   1.338   1.247
  103    HA   ALA  14           HA       ALA  14  -5.269   1.424   3.603
  104    HB1  ALA  14           HB1      ALA  14  -5.328  -0.787   1.549
  105    HB2  ALA  14           HB2      ALA  14  -6.607  -0.577   2.744
  106    HB3  ALA  14           HB3      ALA  14  -4.956  -0.907   3.267
  107    H    CYS  15           H        CYS  15  -4.636   1.016   0.126
  108    HA   CYS  15           HA       CYS  15  -1.828   0.843   0.313
  109    HB2  CYS  15           HB2      CYS  15  -3.687   1.713  -1.898
  110    HB3  CYS  15           HB3      CYS  15  -1.938   1.681  -2.107
  111    H    THR  16           H        THR  16  -3.931   3.439   0.889
  112    HA   THR  16           HA       THR  16  -2.145   5.563   0.093
  113    HB   THR  16           HB       THR  16  -4.654   5.553   1.783
  114    HG1  THR  16           HG1      THR  16  -4.096   5.608  -0.865
  115   HG21  THR  16          HG21      THR  16  -2.625   7.617   1.280
  116   HG22  THR  16          HG22      THR  16  -3.898   7.564   2.500
  117   HG23  THR  16          HG23      THR  16  -4.264   8.122   0.868
  118    H    LYS  17           H        LYS  17  -2.860   3.779   3.034
  119    HA   LYS  17           HA       LYS  17  -1.424   5.540   4.780
  120    HB2  LYS  17           HB2      LYS  17  -2.452   2.717   5.056
  121    HB3  LYS  17           HB3      LYS  17  -1.528   3.510   6.334
  122    HG2  LYS  17           HG2      LYS  17  -3.228   5.456   6.055
  123    HG3  LYS  17           HG3      LYS  17  -4.226   4.263   5.222
  124    HD2  LYS  17           HD2      LYS  17  -4.446   2.922   7.139
  125    HD3  LYS  17           HD3      LYS  17  -3.038   3.642   7.921
  126    HE2  LYS  17           HE2      LYS  17  -4.301   5.811   8.049
  127    HE3  LYS  17           HE3      LYS  17  -5.723   4.962   7.442
  128    HZ1  LYS  17           HZ1      LYS  17  -5.277   5.203   9.998
  129    HZ2  LYS  17           HZ2      LYS  17  -4.307   3.832   9.742
  130    HZ3  LYS  17           HZ3      LYS  17  -5.962   3.787   9.361
  131    H    CYS  18           H        CYS  18  -0.568   2.938   2.660
  132    HA   CYS  18           HA       CYS  18   1.968   2.365   3.919
  133    HB2  CYS  18           HB2      CYS  18   0.398   0.989   2.171
  134    HB3  CYS  18           HB3      CYS  18   1.616   1.645   1.079
  135    H    ARG  19           H        ARG  19   0.871   4.243   1.113
  136    HA   ARG  19           HA       ARG  19   3.449   4.970   0.191
  137    HB2  ARG  19           HB2      ARG  19   2.357   6.279  -1.344
  138    HB3  ARG  19           HB3      ARG  19   1.010   5.249  -0.861
  139    HG2  ARG  19           HG2      ARG  19   0.442   6.988   0.894
  140    HG3  ARG  19           HG3      ARG  19   1.640   8.038   0.137
  141    HD2  ARG  19           HD2      ARG  19  -0.606   6.774  -1.436
  142    HD3  ARG  19           HD3      ARG  19  -0.790   8.329  -0.630
  143    HE   ARG  19           HE       ARG  19   1.465   7.997  -2.486
  144   HH11  ARG  19          HH21      ARG  19  -1.653   9.289  -1.715
  145   HH12  ARG  19          HH22      ARG  19  -1.620  10.484  -2.969
  146   HH21  ARG  19          HH11      ARG  19   1.511   9.561  -4.134
  147   HH22  ARG  19          HH12      ARG  19   0.170  10.639  -4.336
  148    H    ASP  20           H        ASP  20   1.197   6.488   2.467
  149    HA   ASP  20           HA       ASP  20   2.577   8.894   2.877
  150    HB2  ASP  20           HB2      ASP  20   0.440   7.417   4.174
  151    HB3  ASP  20           HB3      ASP  20   1.484   8.202   5.358
  152    H    ARG  21           H        ARG  21   3.247   5.663   3.925
  153    HA   ARG  21           HA       ARG  21   4.996   6.352   6.088
  154    HB2  ARG  21           HB2      ARG  21   3.818   4.122   5.743
  155    HB3  ARG  21           HB3      ARG  21   5.026   3.782   4.504
  156    HG2  ARG  21           HG2      ARG  21   6.321   4.777   6.887
  157    HG3  ARG  21           HG3      ARG  21   5.287   3.407   7.293
  158    HD2  ARG  21           HD2      ARG  21   6.339   2.100   5.460
  159    HD3  ARG  21           HD3      ARG  21   7.410   3.457   5.131
  160    HE   ARG  21           HE       ARG  21   7.504   2.562   7.877
  161   HH11  ARG  21          HH21      ARG  21   8.666   2.115   4.647
  162   HH12  ARG  21          HH22      ARG  21  10.160   1.388   5.138
  163   HH21  ARG  21          HH11      ARG  21   9.460   1.609   8.527
  164   HH22  ARG  21          HH12      ARG  21  10.609   1.101   7.335
  165    H    VAL  22           H        VAL  22   5.342   5.883   2.635
  166    HA   VAL  22           HA       VAL  22   8.260   6.276   2.875
  167    HB   VAL  22           HB       VAL  22   6.729   5.368   0.432
  168   HG11  VAL  22          HG11      VAL  22   9.245   4.347   0.275
  169   HG12  VAL  22          HG12      VAL  22   9.566   5.839   1.157
  170   HG13  VAL  22          HG13      VAL  22   8.782   5.899  -0.422
  171   HG21  VAL  22          HG21      VAL  22   8.034   3.156   1.334
  172   HG22  VAL  22          HG22      VAL  22   6.346   3.505   1.705
  173   HG23  VAL  22          HG23      VAL  22   7.607   3.917   2.867
  174    H    ARG  23           H        ARG  23   5.472   7.975   2.318
  175    HA   ARG  23           HA       ARG  23   4.949   9.953   1.252
  176    HB2  ARG  23           HB2      ARG  23   7.752  10.307   2.271
  177    HB3  ARG  23           HB3      ARG  23   6.941  11.609   1.402
  178    HG2  ARG  23           HG2      ARG  23   5.089  11.568   2.999
  179    HG3  ARG  23           HG3      ARG  23   5.824  10.205   3.846
  180    HD2  ARG  23           HD2      ARG  23   6.252  12.906   4.398
  181    HD3  ARG  23           HD3      ARG  23   7.213  11.556   4.994
  182    HE   ARG  23           HE       ARG  23   8.272  12.056   2.526
  183   HH11  ARG  23          HH21      ARG  23   7.552  13.967   5.321
  184   HH12  ARG  23          HH22      ARG  23   8.846  15.088   5.060
  185   HH21  ARG  23          HH11      ARG  23   9.972  13.520   2.178
  186   HH22  ARG  23          HH12      ARG  23  10.217  14.834   3.279
  187    H    THR  24           H        THR  24   5.815   7.855  -0.553
  188    HA   THR  24           HA       THR  24   6.804   9.575  -2.734
  189    HB   THR  24           HB       THR  24   7.750   6.757  -2.164
  190    HG1  THR  24           HG1      THR  24   9.778   7.938  -2.023
  191   HG21  THR  24          HG21      THR  24   8.264   8.685  -4.435
  192   HG22  THR  24          HG22      THR  24   7.603   7.053  -4.538
  193   HG23  THR  24          HG23      THR  24   9.295   7.293  -4.104
  194    H    ASP  25           H        ASP  25   5.389   9.593  -4.337
  195    HA   ASP  25           HA       ASP  25   3.058   8.094  -4.476
  196    HB2  ASP  25           HB2      ASP  25   3.706  10.211  -5.776
  197    HB3  ASP  25           HB3      ASP  25   4.475   9.122  -6.929
  198    H    ASP  26           H        ASP  26   6.250   7.406  -5.806
  199    HA   ASP  26           HA       ASP  26   5.539   5.240  -7.465
  200    HB2  ASP  26           HB2      ASP  26   7.839   6.571  -7.019
  201    HB3  ASP  26           HB3      ASP  26   8.150   5.123  -6.064
  202    H    TYR  27           H        TYR  27   5.769   5.526  -4.034
  203    HA   TYR  27           HA       TYR  27   6.010   2.660  -3.592
  204    HB2  TYR  27           HB2      TYR  27   6.759   4.806  -2.098
  205    HB3  TYR  27           HB3      TYR  27   5.225   4.390  -1.336
  206    HD1  TYR  27           HD1      TYR  27   8.575   3.095  -2.273
  207    HD2  TYR  27           HD2      TYR  27   4.961   2.371  -0.066
  208    HE1  TYR  27           HE1      TYR  27   9.660   1.184  -1.121
  209    HE2  TYR  27           HE2      TYR  27   6.046   0.460   1.084
  210    HH   TYR  27           HH       TYR  27   9.304  -0.034   1.153
  211    H    PHE  28           H        PHE  28   3.537   4.884  -4.233
  212    HA   PHE  28           HA       PHE  28   1.457   3.577  -2.724
  213    HB2  PHE  28           HB2      PHE  28   1.137   5.897  -3.129
  214    HB3  PHE  28           HB3      PHE  28   1.483   5.720  -4.849
  215    HD1  PHE  28           HD1      PHE  28  -0.869   4.467  -2.219
  216    HD2  PHE  28           HD2      PHE  28  -0.282   5.477  -6.348
  217    HE1  PHE  28           HE1      PHE  28  -3.269   4.052  -2.659
  218    HE2  PHE  28           HE2      PHE  28  -2.680   5.064  -6.792
  219    HZ   PHE  28           HZ       PHE  28  -4.182   4.351  -4.948
  220    H    TYR  29           H        TYR  29   2.130   3.951  -6.216
  221    HA   TYR  29           HA       TYR  29   0.197   2.132  -7.119
  222    HB2  TYR  29           HB2      TYR  29   2.853   2.935  -8.327
  223    HB3  TYR  29           HB3      TYR  29   1.634   1.981  -9.171
  224    HD1  TYR  29           HD1      TYR  29  -0.859   3.029  -8.932
  225    HD2  TYR  29           HD2      TYR  29   2.825   5.228  -8.710
  226    HE1  TYR  29           HE1      TYR  29  -2.063   5.109  -9.539
  227    HE2  TYR  29           HE2      TYR  29   1.619   7.308  -9.317
  228    HH   TYR  29           HH       TYR  29  -0.965   8.080  -9.038
  229    H    GLU  30           H        GLU  30   3.328   1.651  -5.701
  230    HA   GLU  30           HA       GLU  30   3.864  -0.973  -6.590
  231    HB2  GLU  30           HB2      GLU  30   4.691   0.617  -4.172
  232    HB3  GLU  30           HB3      GLU  30   5.167  -1.071  -4.353
  233    HG2  GLU  30           HG2      GLU  30   5.579   0.536  -6.780
  234    HG3  GLU  30           HG3      GLU  30   6.542   1.071  -5.404
  235    H    CYS  31           H        CYS  31   1.787   0.322  -4.109
  236    HA   CYS  31           HA       CYS  31   1.343  -2.107  -2.680
  237    HB2  CYS  31           HB2      CYS  31   0.906   0.094  -1.688
  238    HB3  CYS  31           HB3      CYS  31  -0.351   0.393  -2.886
  239    H    CYS  32           H        CYS  32  -0.693  -0.316  -5.011
  240    HA   CYS  32           HA       CYS  32  -2.699  -2.286  -5.224
  241    HB2  CYS  32           HB2      CYS  32  -2.134   0.257  -6.370
  242    HB3  CYS  32           HB3      CYS  32  -2.457  -0.862  -7.693
  243    H    THR  33           H        THR  33   0.445  -2.679  -5.956
  244    HA   THR  33           HA       THR  33   0.261  -3.951  -8.534
  245    HB   THR  33           HB       THR  33   2.503  -4.498  -6.633
  246    HG1  THR  33           HG1      THR  33   3.197  -2.495  -6.723
  247   HG21  THR  33          HG21      THR  33   2.955  -3.560  -9.391
  248   HG22  THR  33          HG22      THR  33   2.049  -5.067  -9.271
  249   HG23  THR  33          HG23      THR  33   3.650  -4.941  -8.544
  250    H    SER  34           H        SER  34   1.968  -6.200  -7.857
  251    HA   SER  34           HA       SER  34   0.380  -8.341  -7.853
  252    HB2  SER  34           HB2      SER  34   2.468  -9.186  -7.771
  253    HB3  SER  34           HB3      SER  34   3.065  -7.829  -6.820
  254    HG   SER  34           HG       SER  34   1.338  -9.530  -5.502
  255    H    GLU  35           H        GLU  35  -1.154  -9.243  -6.634
  256    HA   GLU  35           HA       GLU  35  -2.252  -8.063  -4.376
  257    HB2  GLU  35           HB2      GLU  35  -3.012 -10.096  -5.954
  258    HB3  GLU  35           HB3      GLU  35  -2.433 -11.025  -4.571
  259    HG2  GLU  35           HG2      GLU  35  -4.782 -10.554  -4.226
  260    HG3  GLU  35           HG3      GLU  35  -3.856  -9.575  -3.090
  261    H    SER  36           H        SER  36   0.329 -10.438  -4.640
  262    HA   SER  36           HA       SER  36   0.479 -11.165  -1.911
  263    HB2  SER  36           HB2      SER  36   2.192 -12.461  -2.601
  264    HB3  SER  36           HB3      SER  36   1.774 -11.922  -4.225
  265    HG   SER  36           HG       SER  36   3.732 -10.911  -2.450
  266    H    THR  37           H        THR  37   1.760  -8.455  -3.735
  267    HA   THR  37           HA       THR  37   3.532  -7.537  -1.670
  268    HB   THR  37           HB       THR  37   2.388  -6.171  -4.117
  269    HG1  THR  37           HG1      THR  37   5.023  -7.034  -3.570
  270   HG21  THR  37          HG21      THR  37   2.918  -4.372  -2.706
  271   HG22  THR  37          HG22      THR  37   4.412  -4.610  -3.612
  272   HG23  THR  37          HG23      THR  37   4.271  -5.228  -1.967
  273    H    PHE  38           H        PHE  38   0.172  -7.075  -2.484
  274    HA   PHE  38           HA       PHE  38  -0.361  -4.721  -1.040
  275    HB2  PHE  38           HB2      PHE  38  -1.859  -6.194  -2.650
  276    HB3  PHE  38           HB3      PHE  38  -2.379  -6.928  -1.133
  277    HD1  PHE  38           HD2      PHE  38  -2.822  -5.105   0.818
  278    HD2  PHE  38           HD1      PHE  38  -3.082  -4.368  -3.405
  279    HE1  PHE  38           HE2      PHE  38  -4.305  -3.166   1.249
  280    HE2  PHE  38           HE1      PHE  38  -4.567  -2.428  -2.975
  281    HZ   PHE  38           HZ       PHE  38  -5.179  -1.827  -0.647
  282    H    LYS  39           H        LYS  39  -0.327  -8.123  -0.055
  283    HA   LYS  39           HA       LYS  39  -1.126  -7.530   2.656
  284    HB2  LYS  39           HB2      LYS  39  -1.597  -9.702   1.433
  285    HB3  LYS  39           HB3      LYS  39   0.113 -10.087   1.628
  286    HG2  LYS  39           HG2      LYS  39  -0.122  -9.829   4.083
  287    HG3  LYS  39           HG3      LYS  39  -1.842  -9.498   3.870
  288    HD2  LYS  39           HD2      LYS  39  -1.874 -11.786   4.314
  289    HD3  LYS  39           HD3      LYS  39  -1.821 -11.776   2.551
  290    HE2  LYS  39           HE2      LYS  39   0.716 -11.889   2.751
  291    HE3  LYS  39           HE3      LYS  39   0.478 -12.222   4.466
  292    HZ1  LYS  39           HZ1      LYS  39  -0.807 -14.154   3.918
  293    HZ2  LYS  39           HZ2      LYS  39   0.682 -14.245   3.108
  294    HZ3  LYS  39           HZ3      LYS  39  -0.723 -13.805   2.260
  295    H    LYS  40           H        LYS  40   1.829  -7.703   0.874
  296    HA   LYS  40           HA       LYS  40   3.619  -8.256   3.003
  297    HB2  LYS  40           HB2      LYS  40   4.214  -8.406   0.588
  298    HB3  LYS  40           HB3      LYS  40   4.141  -6.646   0.492
  299    HG2  LYS  40           HG2      LYS  40   6.285  -6.575   1.176
  300    HG3  LYS  40           HG3      LYS  40   5.762  -7.227   2.731
  301    HD2  LYS  40           HD2      LYS  40   6.159  -9.475   2.034
  302    HD3  LYS  40           HD3      LYS  40   6.329  -8.997   0.345
  303    HE2  LYS  40           HE2      LYS  40   8.180  -7.686   2.262
  304    HE3  LYS  40           HE3      LYS  40   8.449  -9.405   1.975
  305    HZ1  LYS  40           HZ1      LYS  40   8.738  -9.050  -0.303
  306    HZ2  LYS  40           HZ2      LYS  40   9.607  -7.788   0.432
  307    HZ3  LYS  40           HZ3      LYS  40   8.078  -7.488  -0.246
  308    H    CYS  41           H        CYS  41   2.222  -5.276   1.729
  309    HA   CYS  41           HA       CYS  41   3.798  -3.473   3.256
  310    HB2  CYS  41           HB2      CYS  41   2.702  -2.434   1.488
  311    HB3  CYS  41           HB3      CYS  41   1.194  -3.297   1.781
  312    H    GLN  42           H        GLN  42   0.400  -4.477   3.707
  313    HA   GLN  42           HA       GLN  42  -0.233  -3.342   6.078
  314    HB2  GLN  42           HB2      GLN  42  -1.723  -4.864   4.815
  315    HB3  GLN  42           HB3      GLN  42  -0.776  -6.239   5.383
  316    HG2  GLN  42           HG2      GLN  42  -1.288  -5.033   7.751
  317    HG3  GLN  42           HG3      GLN  42  -2.724  -4.544   6.852
  318   HE21  GLN  42          HE21      GLN  42  -2.348  -6.616   9.090
  319   HE22  GLN  42          HE22      GLN  42  -3.029  -8.036   8.454
  320    H    THR  43           H        THR  43   1.861  -6.155   5.630
  321    HA   THR  43           HA       THR  43   2.189  -6.689   8.423
  322    HB   THR  43           HB       THR  43   4.000  -7.478   6.129
  323    HG1  THR  43           HG1      THR  43   2.530  -9.476   6.802
  324   HG21  THR  43          HG21      THR  43   5.231  -8.240   7.874
  325   HG22  THR  43          HG22      THR  43   3.993  -9.490   8.000
  326   HG23  THR  43          HG23      THR  43   3.897  -8.049   9.012
  327    H    MET  44           H        MET  44   3.900  -4.751   6.037
  328    HA   MET  44           HA       MET  44   5.866  -3.950   8.082
  329    HB2  MET  44           HB2      MET  44   5.918  -4.226   5.162
  330    HB3  MET  44           HB3      MET  44   6.603  -2.704   5.733
  331    HG2  MET  44           HG2      MET  44   7.951  -4.073   7.404
  332    HG3  MET  44           HG3      MET  44   7.426  -5.508   6.520
  333    HE1  MET  44           HE1      MET  44   9.515  -6.326   6.087
  334    HE2  MET  44           HE2      MET  44  10.613  -5.074   6.664
  335    HE3  MET  44           HE3      MET  44  10.774  -5.687   5.021
  336    H    LEU  45           H        LEU  45   2.910  -3.090   7.197
  337    HA   LEU  45           HA       LEU  45   3.424  -0.188   7.411
  338    HB2  LEU  45           HB2      LEU  45   2.336  -0.402   5.372
  339    HB3  LEU  45           HB3      LEU  45   1.383  -1.785   5.906
  340    HG   LEU  45           HG       LEU  45   0.018  -0.333   7.329
  341   HD11  LEU  45          HD11      LEU  45   2.216   1.526   6.773
  342   HD12  LEU  45          HD12      LEU  45   1.052   1.532   8.099
  343   HD13  LEU  45          HD13      LEU  45   0.628   2.257   6.549
  344   HD21  LEU  45          HD21      LEU  45   0.366   0.713   4.502
  345   HD22  LEU  45          HD22      LEU  45  -1.025   1.051   5.532
  346   HD23  LEU  45          HD23      LEU  45  -0.698  -0.601   5.008
  347    H    HIS  46           H        HIS  46   1.180  -2.795   8.344
  348    HA   HIS  46           HA       HIS  46  -0.089  -1.149  10.359
  349    HB2  HIS  46           HB2      HIS  46  -1.083  -3.146   8.970
  350    HB3  HIS  46           HB3      HIS  46  -0.378  -4.128  10.254
  351    HD1  HIS  46           HD1      HIS  46  -0.911  -2.691  12.764
  352    HD2  HIS  46           HD2      HIS  46  -3.705  -2.668   9.670
  353    HE1  HIS  46           HE1      HIS  46  -3.144  -2.129  13.820
  354    H    GLN  47           H        GLN  47   2.058  -3.994  10.355
  355    HA   GLN  47           HA       GLN  47   3.223  -4.991  12.093
  356    HB2  GLN  47           HB2      GLN  47   3.916  -2.118  11.956
  357    HB3  GLN  47           HB3      GLN  47   4.422  -2.958  13.422
  358    HG2  GLN  47           HG2      GLN  47   5.661  -4.582  12.174
  359    HG3  GLN  47           HG3      GLN  47   4.950  -4.051  10.651
  360   HE21  GLN  47          HE21      GLN  47   7.567  -3.525  12.857
  361   HE22  GLN  47          HE22      GLN  47   8.229  -2.170  12.076
  Start of MODEL   20
    1    H1   ALA   1           H1       ALA   1  -8.290   4.717 -14.680
    2    H2   ALA   1           H2       ALA   1  -8.286   3.026 -14.518
    3    H3   ALA   1           H3       ALA   1  -7.751   4.007 -13.238
    4    HA   ALA   1           HA       ALA   1  -9.819   4.518 -12.542
    5    HB1  ALA   1           HB1      ALA   1 -11.707   4.832 -14.038
    6    HB2  ALA   1           HB2      ALA   1 -10.820   4.096 -15.373
    7    HB3  ALA   1           HB3      ALA   1 -10.306   5.654 -14.725
    8    H    ASP   2           H        ASP   2 -10.567   2.935 -11.287
    9    HA   ASP   2           HA       ASP   2 -11.354   0.896 -10.574
   10    HB2  ASP   2           HB2      ASP   2 -13.089   1.484 -12.353
   11    HB3  ASP   2           HB3      ASP   2 -12.197   0.414 -13.433
   12    H    ASP   3           H        ASP   3  -8.765   1.287 -12.429
   13    HA   ASP   3           HA       ASP   3  -7.951  -0.910 -13.727
   14    HB2  ASP   3           HB2      ASP   3  -6.645   1.142 -12.297
   15    HB3  ASP   3           HB3      ASP   3  -5.919  -0.371 -11.756
   16    H    LYS   4           H        LYS   4  -7.309  -0.741 -10.221
   17    HA   LYS   4           HA       LYS   4  -8.320  -3.459  -9.880
   18    HB2  LYS   4           HB2      LYS   4  -5.806  -3.469 -10.559
   19    HB3  LYS   4           HB3      LYS   4  -5.535  -2.893  -8.914
   20    HG2  LYS   4           HG2      LYS   4  -5.498  -5.136  -8.453
   21    HG3  LYS   4           HG3      LYS   4  -7.246  -4.911  -8.392
   22    HD2  LYS   4           HD2      LYS   4  -7.440  -5.583 -10.744
   23    HD3  LYS   4           HD3      LYS   4  -5.688  -5.755 -10.853
   24    HE2  LYS   4           HE2      LYS   4  -6.942  -7.240  -8.627
   25    HE3  LYS   4           HE3      LYS   4  -7.382  -7.806 -10.239
   26    HZ1  LYS   4           HZ1      LYS   4  -5.336  -8.830  -9.271
   27    HZ2  LYS   4           HZ2      LYS   4  -4.584  -7.312  -9.401
   28    HZ3  LYS   4           HZ3      LYS   4  -5.122  -8.118 -10.795
   29    H    CYS   5           H        CYS   5  -7.086  -0.460  -8.563
   30    HA   CYS   5           HA       CYS   5  -8.155  -1.206  -5.912
   31    HB2  CYS   5           HB2      CYS   5  -6.791   1.054  -5.392
   32    HB3  CYS   5           HB3      CYS   5  -6.038  -0.541  -5.371
   33    H    GLU   6           H        GLU   6  -8.234   1.236  -8.454
   34    HA   GLU   6           HA       GLU   6  -9.780   3.188  -7.182
   35    HB2  GLU   6           HB2      GLU   6  -9.319   2.375 -10.010
   36    HB3  GLU   6           HB3      GLU   6 -10.690   3.435  -9.680
   37    HG2  GLU   6           HG2      GLU   6  -8.694   4.773 -10.159
   38    HG3  GLU   6           HG3      GLU   6  -9.179   4.991  -8.479
   39    H    ASP   7           H        ASP   7 -10.651   0.067  -8.451
   40    HA   ASP   7           HA       ASP   7 -13.418   0.406  -8.780
   41    HB2  ASP   7           HB2      ASP   7 -13.333  -2.152  -8.033
   42    HB3  ASP   7           HB3      ASP   7 -12.748  -1.624  -9.609
   43    H    SER   8           H        SER   8 -11.705  -0.993  -5.971
   44    HA   SER   8           HA       SER   8 -14.079  -0.453  -4.321
   45    HB2  SER   8           HB2      SER   8 -11.869  -1.812  -2.997
   46    HB3  SER   8           HB3      SER   8 -13.545  -2.320  -3.191
   47    HG   SER   8           HG       SER   8 -11.930  -3.643  -4.284
   48    H    LEU   9           H        LEU   9 -14.038   1.588  -3.572
   49    HA   LEU   9           HA       LEU   9 -11.937   3.297  -3.190
   50    HB2  LEU   9           HB2      LEU   9 -14.384   3.031  -1.425
   51    HB3  LEU   9           HB3      LEU   9 -13.328   4.441  -1.501
   52    HG   LEU   9           HG       LEU   9 -14.680   3.316  -3.958
   53   HD11  LEU   9          HD11      LEU   9 -16.425   3.927  -2.330
   54   HD12  LEU   9          HD12      LEU   9 -16.385   5.086  -3.658
   55   HD13  LEU   9          HD13      LEU   9 -15.669   5.504  -2.102
   56   HD21  LEU   9          HD21      LEU   9 -13.235   5.859  -3.217
   57   HD22  LEU   9          HD22      LEU   9 -14.345   5.815  -4.586
   58   HD23  LEU   9          HD23      LEU   9 -12.923   4.772  -4.569
   59    H    ARG  10           H        ARG  10 -12.808   0.547  -1.247
   60    HA   ARG  10           HA       ARG  10 -11.389   1.235   1.112
   61    HB2  ARG  10           HB2      ARG  10 -12.915  -0.505   1.403
   62    HB3  ARG  10           HB3      ARG  10 -12.398  -1.338  -0.063
   63    HG2  ARG  10           HG2      ARG  10 -10.376  -2.083   0.941
   64    HG3  ARG  10           HG3      ARG  10 -10.543  -0.963   2.292
   65    HD2  ARG  10           HD2      ARG  10 -12.883  -2.419   2.442
   66    HD3  ARG  10           HD3      ARG  10 -11.719  -3.630   1.914
   67    HE   ARG  10           HE       ARG  10 -10.630  -3.428   3.974
   68   HH11  ARG  10          HH21      ARG  10 -13.018  -0.965   3.517
   69   HH12  ARG  10          HH22      ARG  10 -12.959  -0.410   5.157
   70   HH21  ARG  10          HH11      ARG  10 -10.546  -2.706   6.125
   71   HH22  ARG  10          HH12      ARG  10 -11.560  -1.396   6.634
   72    H    ARG  11           H        ARG  11 -10.488  -0.661  -1.760
   73    HA   ARG  11           HA       ARG  11  -7.913  -1.407  -0.906
   74    HB2  ARG  11           HB2      ARG  11  -9.475  -1.647  -3.266
   75    HB3  ARG  11           HB3      ARG  11  -7.924  -0.953  -3.738
   76    HG2  ARG  11           HG2      ARG  11  -6.706  -2.770  -2.802
   77    HG3  ARG  11           HG3      ARG  11  -8.112  -3.354  -1.914
   78    HD2  ARG  11           HD2      ARG  11  -8.869  -3.256  -4.643
   79    HD3  ARG  11           HD3      ARG  11  -7.276  -4.008  -4.592
   80    HE   ARG  11           HE       ARG  11  -8.528  -5.363  -2.658
   81   HH11  ARG  11          HH21      ARG  11  -9.563  -4.388  -5.813
   82   HH12  ARG  11          HH22      ARG  11 -10.619  -5.743  -6.036
   83   HH21  ARG  11          HH11      ARG  11  -9.911  -7.142  -2.941
   84   HH22  ARG  11          HH12      ARG  11 -10.815  -7.302  -4.410
   85    H    GLU  12           H        GLU  12  -9.162   1.585  -2.158
   86    HA   GLU  12           HA       GLU  12  -6.625   2.717  -2.888
   87    HB2  GLU  12           HB2      GLU  12  -9.144   3.366  -3.526
   88    HB3  GLU  12           HB3      GLU  12  -8.915   4.477  -2.176
   89    HG2  GLU  12           HG2      GLU  12  -6.990   5.471  -3.216
   90    HG3  GLU  12           HG3      GLU  12  -6.947   4.224  -4.462
   91    H    ILE  13           H        ILE  13  -8.697   2.791  -0.029
   92    HA   ILE  13           HA       ILE  13  -7.263   4.788   1.389
   93    HB   ILE  13           HB       ILE  13  -9.028   2.539   2.375
   94   HG12  ILE  13          HG12      ILE  13  -9.844   4.515   0.818
   95   HG13  ILE  13          HG13      ILE  13 -10.801   4.044   2.223
   96   HG21  ILE  13          HG21      ILE  13  -7.580   4.767   3.758
   97   HG22  ILE  13          HG22      ILE  13  -7.891   3.122   4.311
   98   HG23  ILE  13          HG23      ILE  13  -9.185   4.320   4.335
   99   HD11  ILE  13          HD11      ILE  13 -10.413   6.533   2.015
  100   HD12  ILE  13          HD12      ILE  13  -8.699   6.223   2.292
  101   HD13  ILE  13          HD13      ILE  13  -9.879   5.837   3.545
  102    H    ALA  14           H        ALA  14  -7.008   1.260   1.266
  103    HA   ALA  14           HA       ALA  14  -5.047   1.079   3.342
  104    HB1  ALA  14           HB1      ALA  14  -5.715  -0.886   1.138
  105    HB2  ALA  14           HB2      ALA  14  -6.493  -0.821   2.720
  106    HB3  ALA  14           HB3      ALA  14  -4.784  -1.238   2.593
  107    H    CYS  15           H        CYS  15  -4.960   1.437  -0.154
  108    HA   CYS  15           HA       CYS  15  -2.135   0.962  -0.375
  109    HB2  CYS  15           HB2      CYS  15  -4.194   2.123  -2.249
  110    HB3  CYS  15           HB3      CYS  15  -2.489   2.007  -2.672
  111    H    THR  16           H        THR  16  -4.166   3.698   0.303
  112    HA   THR  16           HA       THR  16  -2.222   5.711  -0.316
  113    HB   THR  16           HB       THR  16  -4.629   5.835   1.520
  114    HG1  THR  16           HG1      THR  16  -4.549   5.498  -1.026
  115   HG21  THR  16          HG21      THR  16  -2.920   7.999   0.261
  116   HG22  THR  16          HG22      THR  16  -3.027   7.621   1.980
  117   HG23  THR  16          HG23      THR  16  -4.425   8.286   1.136
  118    H    LYS  17           H        LYS  17  -3.029   3.755   2.465
  119    HA   LYS  17           HA       LYS  17  -1.455   5.206   4.365
  120    HB2  LYS  17           HB2      LYS  17  -2.611   2.415   4.333
  121    HB3  LYS  17           HB3      LYS  17  -1.682   3.048   5.691
  122    HG2  LYS  17           HG2      LYS  17  -3.303   4.629   6.238
  123    HG3  LYS  17           HG3      LYS  17  -3.968   4.662   4.604
  124    HD2  LYS  17           HD2      LYS  17  -5.316   2.853   4.973
  125    HD3  LYS  17           HD3      LYS  17  -4.132   2.053   6.006
  126    HE2  LYS  17           HE2      LYS  17  -5.818   4.439   6.820
  127    HE3  LYS  17           HE3      LYS  17  -6.135   2.767   7.286
  128    HZ1  LYS  17           HZ1      LYS  17  -4.789   3.122   8.995
  129    HZ2  LYS  17           HZ2      LYS  17  -4.279   4.623   8.385
  130    HZ3  LYS  17           HZ3      LYS  17  -3.497   3.195   7.899
  131    H    CYS  18           H        CYS  18  -0.759   3.012   1.842
  132    HA   CYS  18           HA       CYS  18   1.709   1.988   2.945
  133    HB2  CYS  18           HB2      CYS  18   0.127   0.926   1.140
  134    HB3  CYS  18           HB3      CYS  18   1.046   1.934   0.021
  135    H    ARG  19           H        ARG  19   0.725   4.488   0.650
  136    HA   ARG  19           HA       ARG  19   3.408   5.208  -0.080
  137    HB2  ARG  19           HB2      ARG  19   2.431   6.662  -1.552
  138    HB3  ARG  19           HB3      ARG  19   1.027   5.639  -1.249
  139    HG2  ARG  19           HG2      ARG  19   0.372   7.214   0.607
  140    HG3  ARG  19           HG3      ARG  19   1.674   8.282   0.083
  141    HD2  ARG  19           HD2      ARG  19  -0.420   7.308  -1.853
  142    HD3  ARG  19           HD3      ARG  19  -0.691   8.733  -0.854
  143    HE   ARG  19           HE       ARG  19   1.173   8.502  -3.081
  144   HH11  ARG  19          HH21      ARG  19   0.143  10.213  -0.255
  145   HH12  ARG  19          HH22      ARG  19   0.879  11.709  -0.724
  146   HH21  ARG  19          HH11      ARG  19   2.140  10.461  -3.703
  147   HH22  ARG  19          HH12      ARG  19   2.011  11.850  -2.675
  148    H    ASP  20           H        ASP  20   0.980   6.442   2.177
  149    HA   ASP  20           HA       ASP  20   2.334   8.765   3.000
  150    HB2  ASP  20           HB2      ASP  20  -0.077   8.018   3.510
  151    HB3  ASP  20           HB3      ASP  20   0.629   7.095   4.836
  152    H    ARG  21           H        ARG  21   2.780   5.404   3.807
  153    HA   ARG  21           HA       ARG  21   4.255   5.747   6.208
  154    HB2  ARG  21           HB2      ARG  21   3.226   3.590   5.313
  155    HB3  ARG  21           HB3      ARG  21   4.622   3.487   4.240
  156    HG2  ARG  21           HG2      ARG  21   6.101   3.681   6.275
  157    HG3  ARG  21           HG3      ARG  21   4.650   3.546   7.269
  158    HD2  ARG  21           HD2      ARG  21   4.351   1.324   6.779
  159    HD3  ARG  21           HD3      ARG  21   5.012   1.487   5.154
  160    HE   ARG  21           HE       ARG  21   7.075   0.901   6.019
  161   HH11  ARG  21          HH21      ARG  21   4.997   2.081   8.521
  162   HH12  ARG  21          HH22      ARG  21   6.109   1.729   9.801
  163   HH21  ARG  21          HH11      ARG  21   8.539   0.438   7.692
  164   HH22  ARG  21          HH12      ARG  21   8.116   0.801   9.332
  165    H    VAL  22           H        VAL  22   5.292   5.245   2.836
  166    HA   VAL  22           HA       VAL  22   8.028   6.017   3.583
  167    HB   VAL  22           HB       VAL  22   7.234   5.168   0.821
  168   HG11  VAL  22          HG11      VAL  22   9.562   5.934   1.491
  169   HG12  VAL  22          HG12      VAL  22   9.484   4.326   0.770
  170   HG13  VAL  22          HG13      VAL  22   9.654   4.502   2.516
  171   HG21  VAL  22          HG21      VAL  22   6.165   3.430   2.002
  172   HG22  VAL  22          HG22      VAL  22   7.358   3.457   3.302
  173   HG23  VAL  22          HG23      VAL  22   7.784   2.785   1.728
  174    H    ARG  23           H        ARG  23   5.224   7.432   2.513
  175    HA   ARG  23           HA       ARG  23   4.706   9.393   1.425
  176    HB2  ARG  23           HB2      ARG  23   7.464  10.291   2.259
  177    HB3  ARG  23           HB3      ARG  23   6.010  11.272   2.065
  178    HG2  ARG  23           HG2      ARG  23   4.993   9.751   3.904
  179    HG3  ARG  23           HG3      ARG  23   6.661   9.294   4.243
  180    HD2  ARG  23           HD2      ARG  23   6.675  12.102   4.008
  181    HD3  ARG  23           HD3      ARG  23   5.255  11.713   4.975
  182    HE   ARG  23           HE       ARG  23   7.094  10.216   6.195
  183   HH11  ARG  23          HH21      ARG  23   7.235  13.455   4.984
  184   HH12  ARG  23          HH22      ARG  23   8.386  13.992   6.163
  185   HH21  ARG  23          HH11      ARG  23   8.600  10.914   7.745
  186   HH22  ARG  23          HH12      ARG  23   9.156  12.555   7.726
  187    H    THR  24           H        THR  24   5.899   7.342  -0.204
  188    HA   THR  24           HA       THR  24   7.203   9.038  -2.246
  189    HB   THR  24           HB       THR  24   7.745   6.122  -2.253
  190    HG1  THR  24           HG1      THR  24   8.502   6.166  -0.312
  191   HG21  THR  24          HG21      THR  24   9.642   8.453  -2.529
  192   HG22  THR  24          HG22      THR  24   8.622   7.919  -3.866
  193   HG23  THR  24          HG23      THR  24   9.816   6.821  -3.175
  194    H    ASP  25           H        ASP  25   5.849   9.315  -3.891
  195    HA   ASP  25           HA       ASP  25   3.473   8.016  -4.382
  196    HB2  ASP  25           HB2      ASP  25   3.872  10.008  -5.581
  197    HB3  ASP  25           HB3      ASP  25   5.394   9.408  -6.239
  198    H    ASP  26           H        ASP  26   6.684   6.885  -4.990
  199    HA   ASP  26           HA       ASP  26   5.982   4.921  -6.966
  200    HB2  ASP  26           HB2      ASP  26   8.291   5.923  -6.589
  201    HB3  ASP  26           HB3      ASP  26   8.410   4.880  -5.174
  202    H    TYR  27           H        TYR  27   5.979   5.073  -3.496
  203    HA   TYR  27           HA       TYR  27   5.831   2.195  -3.138
  204    HB2  TYR  27           HB2      TYR  27   6.111   4.557  -1.430
  205    HB3  TYR  27           HB3      TYR  27   5.020   3.345  -0.761
  206    HD1  TYR  27           HD1      TYR  27   5.816   0.982  -0.457
  207    HD2  TYR  27           HD2      TYR  27   8.470   4.172  -1.566
  208    HE1  TYR  27           HE1      TYR  27   7.763  -0.407   0.199
  209    HE2  TYR  27           HE2      TYR  27  10.416   2.784  -0.910
  210    HH   TYR  27           HH       TYR  27   9.966  -0.520   0.363
  211    H    PHE  28           H        PHE  28   3.699   4.422  -4.278
  212    HA   PHE  28           HA       PHE  28   1.340   3.442  -2.881
  213    HB2  PHE  28           HB2      PHE  28   1.294   5.770  -3.423
  214    HB3  PHE  28           HB3      PHE  28   1.769   5.456  -5.094
  215    HD1  PHE  28           HD2      PHE  28   0.194   4.505  -6.700
  216    HD2  PHE  28           HD1      PHE  28  -0.969   5.317  -2.649
  217    HE1  PHE  28           HE2      PHE  28  -2.183   4.239  -7.331
  218    HE2  PHE  28           HE1      PHE  28  -3.348   5.048  -3.277
  219    HZ   PHE  28           HZ       PHE  28  -3.961   4.509  -5.620
  220    H    TYR  29           H        TYR  29   2.631   3.462  -6.199
  221    HA   TYR  29           HA       TYR  29   0.616   1.821  -7.317
  222    HB2  TYR  29           HB2      TYR  29   2.772   3.225  -8.293
  223    HB3  TYR  29           HB3      TYR  29   3.277   1.551  -8.520
  224    HD1  TYR  29           HD1      TYR  29   1.890  -0.009  -9.870
  225    HD2  TYR  29           HD2      TYR  29   0.936   4.166  -9.534
  226    HE1  TYR  29           HE1      TYR  29   0.381  -0.196 -11.829
  227    HE2  TYR  29           HE2      TYR  29  -0.572   3.979 -11.494
  228    HH   TYR  29           HH       TYR  29  -1.535   2.590 -12.944
  229    H    GLU  30           H        GLU  30   3.338   1.155  -5.324
  230    HA   GLU  30           HA       GLU  30   3.762  -1.560  -6.075
  231    HB2  GLU  30           HB2      GLU  30   4.645   0.244  -3.908
  232    HB3  GLU  30           HB3      GLU  30   4.591  -1.468  -3.484
  233    HG2  GLU  30           HG2      GLU  30   5.910  -0.459  -6.012
  234    HG3  GLU  30           HG3      GLU  30   6.787  -0.648  -4.493
  235    H    CYS  31           H        CYS  31   1.382   0.067  -4.223
  236    HA   CYS  31           HA       CYS  31   0.571  -2.230  -2.668
  237    HB2  CYS  31           HB2      CYS  31   0.185   0.014  -1.786
  238    HB3  CYS  31           HB3      CYS  31  -0.816   0.409  -3.185
  239    H    CYS  32           H        CYS  32  -1.037  -0.325  -5.233
  240    HA   CYS  32           HA       CYS  32  -3.151  -2.115  -5.655
  241    HB2  CYS  32           HB2      CYS  32  -2.732   0.307  -6.580
  242    HB3  CYS  32           HB3      CYS  32  -2.027  -0.552  -7.950
  243    H    THR  33           H        THR  33   0.141  -2.483  -6.367
  244    HA   THR  33           HA       THR  33   0.175  -3.956  -8.729
  245    HB   THR  33           HB       THR  33   1.917  -4.946  -6.550
  246    HG1  THR  33           HG1      THR  33   1.579  -2.261  -7.190
  247   HG21  THR  33          HG21      THR  33   2.853  -3.642  -9.067
  248   HG22  THR  33          HG22      THR  33   1.988  -5.173  -9.204
  249   HG23  THR  33          HG23      THR  33   3.470  -5.079  -8.251
  250    H    SER  34           H        SER  34   1.403  -6.410  -7.497
  251    HA   SER  34           HA       SER  34  -0.945  -8.058  -7.604
  252    HB2  SER  34           HB2      SER  34   1.676  -8.502  -8.147
  253    HB3  SER  34           HB3      SER  34   1.561  -9.216  -6.541
  254    HG   SER  34           HG       SER  34   0.087  -9.832  -8.878
  255    H    GLU  35           H        GLU  35  -1.488  -9.645  -5.899
  256    HA   GLU  35           HA       GLU  35  -2.137  -8.431  -3.477
  257    HB2  GLU  35           HB2      GLU  35  -3.248 -10.461  -4.294
  258    HB3  GLU  35           HB3      GLU  35  -1.767 -11.384  -4.034
  259    HG2  GLU  35           HG2      GLU  35  -1.856 -10.713  -1.612
  260    HG3  GLU  35           HG3      GLU  35  -3.433  -9.988  -1.922
  261    H    SER  36           H        SER  36   0.623 -10.508  -4.291
  262    HA   SER  36           HA       SER  36   1.758 -10.890  -1.810
  263    HB2  SER  36           HB2      SER  36   2.959 -11.967  -3.446
  264    HB3  SER  36           HB3      SER  36   2.850 -10.614  -4.570
  265    HG   SER  36           HG       SER  36   4.918 -10.608  -3.834
  266    H    THR  37           H        THR  37   2.183  -8.083  -3.962
  267    HA   THR  37           HA       THR  37   3.906  -6.660  -2.201
  268    HB   THR  37           HB       THR  37   2.207  -5.086  -4.036
  269    HG1  THR  37           HG1      THR  37   2.331  -6.683  -5.438
  270   HG21  THR  37          HG21      THR  37   4.479  -4.293  -4.733
  271   HG22  THR  37          HG22      THR  37   5.181  -5.438  -3.590
  272   HG23  THR  37          HG23      THR  37   4.176  -4.113  -3.005
  273    H    PHE  38           H        PHE  38   0.417  -6.803  -2.621
  274    HA   PHE  38           HA       PHE  38  -0.251  -4.561  -1.022
  275    HB2  PHE  38           HB2      PHE  38  -1.657  -6.315  -2.587
  276    HB3  PHE  38           HB3      PHE  38  -2.144  -6.811  -0.967
  277    HD1  PHE  38           HD1      PHE  38  -2.670  -4.792   0.694
  278    HD2  PHE  38           HD2      PHE  38  -2.818  -4.564  -3.594
  279    HE1  PHE  38           HE1      PHE  38  -4.171  -2.823   0.849
  280    HE2  PHE  38           HE2      PHE  38  -4.318  -2.596  -3.437
  281    HZ   PHE  38           HZ       PHE  38  -4.995  -1.724  -1.216
  282    H    LYS  39           H        LYS  39   0.054  -8.024  -0.273
  283    HA   LYS  39           HA       LYS  39  -0.677  -7.815   2.455
  284    HB2  LYS  39           HB2      LYS  39  -0.019  -9.879   0.695
  285    HB3  LYS  39           HB3      LYS  39   1.243  -9.934   1.927
  286    HG2  LYS  39           HG2      LYS  39  -0.545  -9.878   3.684
  287    HG3  LYS  39           HG3      LYS  39  -1.750  -9.995   2.401
  288    HD2  LYS  39           HD2      LYS  39  -0.045 -12.048   1.753
  289    HD3  LYS  39           HD3      LYS  39   0.009 -12.077   3.515
  290    HE2  LYS  39           HE2      LYS  39  -2.511 -12.046   3.518
  291    HE3  LYS  39           HE3      LYS  39  -2.458 -12.239   1.766
  292    HZ1  LYS  39           HZ1      LYS  39  -2.696 -14.355   2.983
  293    HZ2  LYS  39           HZ2      LYS  39  -1.175 -14.094   3.694
  294    HZ3  LYS  39           HZ3      LYS  39  -1.305 -14.303   2.013
  295    H    LYS  40           H        LYS  40   2.538  -8.044   0.912
  296    HA   LYS  40           HA       LYS  40   4.183  -7.924   3.093
  297    HB2  LYS  40           HB2      LYS  40   5.016  -8.075   0.787
  298    HB3  LYS  40           HB3      LYS  40   4.549  -6.397   0.503
  299    HG2  LYS  40           HG2      LYS  40   6.145  -5.581   2.078
  300    HG3  LYS  40           HG3      LYS  40   6.431  -7.195   2.730
  301    HD2  LYS  40           HD2      LYS  40   7.357  -7.889   0.523
  302    HD3  LYS  40           HD3      LYS  40   7.149  -6.236  -0.056
  303    HE2  LYS  40           HE2      LYS  40   9.461  -7.057   0.999
  304    HE3  LYS  40           HE3      LYS  40   8.869  -5.414   1.246
  305    HZ1  LYS  40           HZ1      LYS  40   9.596  -6.760   3.279
  306    HZ2  LYS  40           HZ2      LYS  40   8.124  -7.589   3.097
  307    HZ3  LYS  40           HZ3      LYS  40   8.130  -5.912   3.370
  308    H    CYS  41           H        CYS  41   2.859  -5.087   1.376
  309    HA   CYS  41           HA       CYS  41   3.890  -3.107   3.051
  310    HB2  CYS  41           HB2      CYS  41   2.813  -2.590   0.917
  311    HB3  CYS  41           HB3      CYS  41   1.259  -3.129   1.551
  312    H    GLN  42           H        GLN  42   0.734  -4.752   3.220
  313    HA   GLN  42           HA       GLN  42  -0.278  -3.474   5.480
  314    HB2  GLN  42           HB2      GLN  42  -1.531  -5.053   3.991
  315    HB3  GLN  42           HB3      GLN  42  -0.673  -6.386   4.762
  316    HG2  GLN  42           HG2      GLN  42  -2.756  -6.178   5.921
  317    HG3  GLN  42           HG3      GLN  42  -1.528  -5.495   6.985
  318   HE21  GLN  42          HE21      GLN  42  -4.030  -4.589   7.530
  319   HE22  GLN  42          HE22      GLN  42  -4.269  -3.018   6.932
  320    H    THR  43           H        THR  43   2.226  -5.843   5.177
  321    HA   THR  43           HA       THR  43   2.174  -6.611   7.976
  322    HB   THR  43           HB       THR  43   4.492  -7.180   6.172
  323    HG1  THR  43           HG1      THR  43   2.071  -8.633   6.091
  324   HG21  THR  43          HG21      THR  43   3.006  -9.110   7.926
  325   HG22  THR  43          HG22      THR  43   4.081  -7.920   8.658
  326   HG23  THR  43          HG23      THR  43   4.717  -9.086   7.497
  327    H    MET  44           H        MET  44   4.210  -4.634   5.840
  328    HA   MET  44           HA       MET  44   6.056  -3.921   7.925
  329    HB2  MET  44           HB2      MET  44   6.060  -3.773   5.158
  330    HB3  MET  44           HB3      MET  44   5.933  -2.087   5.658
  331    HG2  MET  44           HG2      MET  44   7.854  -2.508   7.248
  332    HG3  MET  44           HG3      MET  44   8.047  -4.089   6.491
  333    HE1  MET  44           HE1      MET  44  10.052  -2.017   6.934
  334    HE2  MET  44           HE2      MET  44   9.449  -0.478   6.325
  335    HE3  MET  44           HE3      MET  44  10.775  -1.287   5.493
  336    H    LEU  45           H        LEU  45   2.915  -2.954   7.187
  337    HA   LEU  45           HA       LEU  45   3.131  -0.182   7.909
  338    HB2  LEU  45           HB2      LEU  45   0.958  -2.071   7.215
  339    HB3  LEU  45           HB3      LEU  45   0.507  -0.722   8.259
  340    HG   LEU  45           HG       LEU  45   2.121  -0.303   5.741
  341   HD11  LEU  45          HD11      LEU  45  -0.544   0.513   5.296
  342   HD12  LEU  45          HD12      LEU  45  -0.649  -1.115   5.965
  343   HD13  LEU  45          HD13      LEU  45   0.306  -0.820   4.512
  344   HD21  LEU  45          HD21      LEU  45   1.814   1.925   6.160
  345   HD22  LEU  45          HD22      LEU  45   1.580   1.370   7.818
  346   HD23  LEU  45          HD23      LEU  45   0.184   1.685   6.788
  347    H    HIS  46           H        HIS  46   2.261  -3.169   9.596
  348    HA   HIS  46           HA       HIS  46   2.493  -1.695  12.141
  349    HB2  HIS  46           HB2      HIS  46   0.077  -2.138  11.485
  350    HB3  HIS  46           HB3      HIS  46   0.434  -3.854  11.677
  351    HD1  HIS  46           HD1      HIS  46  -0.209  -4.666  13.936
  352    HD2  HIS  46           HD2      HIS  46   1.116  -0.715  14.063
  353    HE1  HIS  46           HE1      HIS  46  -0.330  -3.947  16.362
  354    H    GLN  47           H        GLN  47   4.105  -3.692  10.419
  355    HA   GLN  47           HA       GLN  47   5.154  -5.779  10.710
  356    HB2  GLN  47           HB2      GLN  47   5.882  -3.896  12.929
  357    HB3  GLN  47           HB3      GLN  47   6.583  -5.514  12.890
  358    HG2  GLN  47           HG2      GLN  47   6.616  -4.113  10.295
  359    HG3  GLN  47           HG3      GLN  47   7.606  -3.357  11.544
  360   HE21  GLN  47          HE21      GLN  47   6.918  -6.737  10.447
  361   HE22  GLN  47          HE22      GLN  47   8.543  -7.226  10.493