*HEADER    BINDING PROTEIN                         17-AUG-95   1LDR    
*TITLE     SECOND REPEAT OF THE LDL RECEPTOR LIGAND-BINDING DOMAIN     
*COMPND    MOL_ID: 1;                                                  
*COMPND   2 MOLECULE: LOW-DENSITY LIPOPROTEIN RECEPTOR;                
*COMPND   3 CHAIN: NULL;                                               
*COMPND   4 FRAGMENT: LIGAND-BINDING DOMAIN, SECOND REPEAT;            
*COMPND   5 SYNONYM: LB2;                                              
*COMPND   6 ENGINEERED: YES                                            
*SOURCE    MOL_ID: 1;                                                  
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE   5 EXPRESSION_SYSTEM_PLASMID: PGEX-2T;                        
*SOURCE   6 EXPRESSION_SYSTEM_GENE: HUMAN                              
*KEYWDS    LDL RECEPTOR CYSTEINE-RICH REPEAT                           
*EXPDTA    NMR, 10 STRUCTURES                                          
*AUTHOR    N.L.DALY,J.T.DJORDJEVIC,P.A.KROON,R.SMITH                   
*REVDAT   1   08-MAR-96 1LDR    0                                      

FILE CONTAINING NMR DISTANCE RESTRAINTS USED TO DERIVE 10 STRUCTURES
OF THE SECOND REPEAT OF THE LDL RECEPTOR LIGAND BINDING DOMAIN (LB2)
AUTHORS N.L. DALY, J.T. DJORDJEVIC, P.A. KROON AND R. SMITH
! residue 1
assign (resid 1 and name HA)(resid 1 and name HB*) 0 0 6.0
assign (resid 1 and name HA)(resid 1 and name HD*) 0 0 8.5
assign (resid 1 and name HG)(resid 1 and name HD*) 0 0 6.0
! residue 3
assign (resid 3 and name HN)(resid 3 and name HA) 0 0 2.7
assign (resid 3 and name HN)(resid 3 and name HB) 0 0 2.7
assign (resid 3 and name HN)(resid 3 and name HG*) 0 0 6.0
assign (resid 3 and name HA)(resid 3 and name HB) 0 0 2.7
assign (resid 3 and name HA)(resid 3 and name HG*) 0 0 4.2
! residue 4
assign (resid 4 and name HB)(resid 5 and name HN) 0 0 3.5
assign (resid 4 and name HA)(resid 5 and name HN) 0 0 3.5
assign (resid 4 and name HG2*)(resid 5 and name HN) 0 0 6.5
assign (resid 4 and name HA)(resid 4 and name HB) 0 0 2.7
assign (resid 4 and name HA)(resid 4 and name HG2*) 0 0 4.2
assign (resid 4 and name HB)(resid 4 and name HG2*) 0 0 4.2
! residue 5
assign (resid 5 and name HN)(resid 6 and name HN) 0 0 3.5
assign (resid 5 and name HB1)(resid 6 and name HN) 0 0 5.0
assign (resid 5 and name HB2)(resid 6 and name HN) 0 0 5.0
assign (resid 5 and name HN)(resid 5 and name HB1) 0 0 5.0
assign (resid 5 and name HN)(resid 5 and name HB2) 0 0 5.0
assign (resid 5 and name HA)(resid 5 and name HB1) 0 0 2.7
assign (resid 5 and name HA)(resid 5 and name HB2) 0 0 2.7
assign (resid 5 and name HB1)(resid 5 and name HB2) 0 0 2.7
assign (resid 5 and name HB1)(resid 9 and name HB2) 0 0 3.5
assign (resid 5 and name HB1)(resid 9 and name HB1) 0 0 3.5
! residue 6
assign (resid 6 and name HB*)(resid 7 and name HN) 0 0 4.5
assign (resid 6 and name HA)(resid 7 and name HN) 0 0 3.5
! residue 7
assign (resid 7 and name HN)(resid 7 and name HA) 0 0 5.0
assign (resid 7 and name HN)(resid 7 and name HB*) 0 0 4.5
! residue 8
assign (resid 8 and name HA1)(resid 8 and name HA2) 0 0 2.7
assign (resid 8 and name HN)(resid 9 and name HN) 0 0 3.5
! residue 9
assign (resid 9 and name HN)(resid 9 and name HA) 0 0 3.5
assign (resid 9 and name HN)(resid 9 and name HB1) 0 0 3.5
assign (resid 9 and name HN)(resid 9 and name HB2) 0 0 3.5
assign (resid 9 and name HA)(resid 9 and name HB1) 0 0 3.5
assign (resid 9 and name HA)(resid 9 and name HB2) 0 0 3.5
assign (resid 9 and name HA)(resid 21 and name HA) 0 0 2.7
assign (resid 9 and name HB2)(resid 20 and name HN) 0 0 4.5
assign (resid 9 and name HA)(resid 22 and name HN) 0 0 4.5
assign (resid 9 and name HB2)(resid 19 and name HA) 0 0 6.0
assign (resid 9 and name HB2)(resid 10 and name HA) 0 0 3.7
assign (resid 9 and name HB1)(resid 10 and name HN) 0 0 5.0
assign (resid 9 and name HB2)(resid 10 and name HN) 0 0 5.0
assign (resid 9 and name HA)(resid 10 and name HN) 0 0 2.7
assign (resid 9 and name HB2)(resid 19 and name HB1) 0 0 6.0
assign (resid 9 and name HB1)(resid 9 and name HB2) 0 0 2.7
! residue 10
assign (resid 10 and name HN)(resid 10 and name HB*) 0 0 3.7
assign (resid 10 and name HN)(resid 20 and name HN) 0 0 3.5
assign (resid 10 and name HN)(resid 20 and name HG1*) 0 0 6.0
assign (resid 10 and name HA)(resid 10 and name HD*) 0 0 4.7
assign (resid 10 and name HD*)(resid 12 and name HA) 0 0 5.5
assign (resid 10 and name HD*)(resid 10 and name HB*) 0 0 5.7
assign (resid 10 and name HD*)(resid 20 and name HG2*) 0 0 6.2
assign (resid 10 and name HD*)(resid 20 and name HG11) 0 0 4.7
assign (resid 10 and name HD*)(resid 20 and name HG12) 0 0 4.7
assign (resid 10 and name HA)(resid 10 and name HB*) 0 0 3.7
assign (resid 10 and name HB*)(resid 22 and name HA) 0 0 4.5
assign (resid 10 and name HE*)(resid 37 and name HA) 0 0 2.7
assign (resid 10 and name HE*)(resid 37 and name HB1) 0 0 3.7
assign (resid 10 and name HE*)(resid 12 and name HA) 0 0 2.7
assign (resid 10 and name HE*)(resid 28 and name HA1) 0 0 6.0
assign (resid 10 and name HE*)(resid 25 and name HD1) 0 0 3.5
assign (resid 10 and name HE*)(resid 25 and name HD2) 0 0 3.5
assign (resid 10 and name HZ)(resid 37 and name HA) 0 0 2.7
assign (resid 10 and name HZ)(resid 28 and name HA1) 0 0 3.7
! residue 11
assign (resid 11 and name HB*)(resid 19 and name HA) 0 0 4.5
assign (resid 11 and name HA)(resid 19 and name HA) 0 0 2.7
assign (resid 11 and name HN)(resid 11 and name HB*) 0 0 3.7
assign (resid 11 and name HB*)(resid 12 and name HN) 0 0 6.0
! residue 12
assign (resid 12 and name HB1)(resid 32 and name HA) 0 0 5.0
assign (resid 12 and name HB2)(resid 32 and name HA) 0 0 5.0
assign (resid 12 and name HA)(resid 12 and name HB1) 0 0 2.7
assign (resid 12 and name HA)(resid 12 and name HB2) 0 0 2.7
assign (resid 12 and name HA)(resid 32 and name HB1) 0 0 6.0
assign (resid 12 and name HB1)(resid 32 and name HN) 0 0 6.0
assign (resid 12 and name HN)(resid 19 and name HA) 0 0 5.0
assign (resid 12 and name HN)(resid 12 and name HB1) 0 0 3.5
assign (resid 12 and name HN)(resid 12 and name HB2) 0 0 3.5
assign (resid 12 and name HN)(resid 13 and name HN) 0 0 3.5
assign (resid 12 and name HB1)(resid 32 and name HB1) 0 0 4.5
assign (resid 12 and name HB2)(resid 32 and name HB1) 0 0 4.5
! residue 13
assign (resid 13 and name HA1)(resid 13 and name HA2) 0 0 2.7
assign (resid 13 and name HA2)(resid 14 and name HN) 0 0 3.5
assign (resid 13 and name HA1)(resid 14 and name HN) 0 0 3.5
! residue 14
assign (resid 14 and name HA1)(resid 14 and name HA2) 0 0 2.7
! residue 15
assign (resid 15 and name HA)(resid 16 and name HN) 0 0 2.7
assign (resid 15 and name HN)(resid 15 and name HA) 0 0 5.0
assign (resid 15 and name HN)(resid 15 and name HB*) 0 0 4.5
assign (resid 15 and name HB*)(resid 16 and name HN) 0 0 4.5
assign (resid 15 and name HA)(resid 15 and name HB*) 0 0 3.7
assign (resid 15 and name HA)(resid 15 and name HG*) 0 0 4.5
assign (resid 15 and name HD*)(resid 15 and name HB*) 0 0 4.7
assign (resid 15 and name HD*)(resid 15 and name HG*) 0 0 4.7
! residue 16
assign (resid 16 and name HN)(resid 16 and name HA) 0 0 2.7
assign (resid 16 and name HN)(resid 16 and name HB) 0 0 2.7
assign (resid 16 and name HN)(resid 16 and name HG*) 0 0 5.2
assign (resid 16 and name HA)(resid 17 and name HN) 0 0 3.5
assign (resid 16 and name HA)(resid 16 and name HB) 0 0 3.5
assign (resid 16 and name HA)(resid 16 and name HG*) 0 0 5.2
assign (resid 16 and name HB)(resid 16 and name HG*) 0 0 5.2
assign (resid 16 and name HN)(resid 17 and name HN) 0 0 3.5
! residue 17
assign (resid 17 and name HN)(resid 17 and name HB1) 0 0 5.0
assign (resid 17 and name HN)(resid 17 and name HB2) 0 0 5.0
! residue 18
assign (resid 18 and name HA)(resid 19 and name HN) 0 0 2.7
assign (resid 18 and name HG*)(resid 19 and name HN) 0 0 4.5
assign (resid 18 and name HB2)(resid 19 and name HN) 0 0 5.0
assign (resid 18 and name HB1)(resid 19 and name HN) 0 0 5.0
assign (resid 18 and name HN)(resid 18 and name HB*) 0 0 4.5
assign (resid 18 and name HN)(resid 18 and name HG*) 0 0 6.0
assign (resid 18 and name HA)(resid 18 and name HG1) 0 0 3.5
assign (resid 18 and name HA)(resid 18 and name HG2) 0 0 3.5
assign (resid 18 and name HA)(resid 18 and name HB*) 0 0 4.5
assign (resid 18 and name HD*)(resid 18 and name HG1) 0 0 4.5
assign (resid 18 and name HD*)(resid 18 and name HG2) 0 0 4.5
assign (resid 18 and name HD*)(resid 18 and name HB*) 0 0 5.5
assign (resid 18 and name HD*)(resid 20 and name HD1*) 0 0 5.2
!residue 19
assign (resid 19 and name HA)(resid 20 and name HN) 0 0 2.7
assign (resid 19 and name HN)(resid 19 and name HA) 0 0 3.5
assign (resid 19 and name HN)(resid 19 and name HB1) 0 0 3.5
assign (resid 19 and name HN)(resid 19 and name HB2) 0 0 3.5
assign (resid 19 and name HA)(resid 19 and name HB1) 0 0 2.7
assign (resid 19 and name HA)(resid 19 and name HB2) 0 0 2.7
assign (resid 19 and name HB1)(resid 20 and name HN) 0 0 4.5
assign (resid 19 and name HB1)(resid 19 and name HB2) 0 0 2.7
! residue 20
assign (resid 20 and name HD1*)(resid 24 and name HE3) 0 0 4.2
assign (resid 20 and name HG2*)(resid 24 and name HE3) 0 0 4.2
assign (resid 20 and name HN)(resid 20 and name HG2*) 0 0 6.5
assign (resid 20 and name HN)(resid 20 and name HD1*) 0 0 5.0
assign (resid 20 and name HN)(resid 20 and name HG1*) 0 0 5.0
assign (resid 20 and name HN)(resid 20 and name HB) 0 0 5.0
assign (resid 20 and name HD1*)(resid 24 and name HN) 0 0 6.5
assign (resid 20 and name HG2*)(resid 24 and name HB1) 0 0 5.0
assign (resid 20 and name HG2*)(resid 24 and name HB2) 0 0 5.0
assign (resid 20 and name HG2*)(resid 37 and name HB2) 0 0 5.2
assign (resid 20 and name HG2*)(resid 31 and name HB1) 0 0 4.2
assign (resid 20 and name HG2*)(resid 31 and name HB2) 0 0 4.2
assign (resid 20 and name HD1*)(resid 31 and name HB1) 0 0 6.5
assign (resid 20 and name HD1*)(resid 31 and name HB2) 0 0 6.5
assign (resid 20 and name HB)(resid 20 and name HG2*) 0 0 4.2
assign (resid 20 and name HG11)(resid 20 and name HG2*) 0 0 4.2
assign (resid 20 and name HG11)(resid 20 and name HD1*) 0 0 4.2
assign (resid 20 and name HG12)(resid 20 and name HG2*) 0 0 4.2
assign (resid 20 and name HG12)(resid 20 and name HD1*) 0 0 4.2
assign (resid 20 and name HG11)(resid 20 and name HG12) 0 0 2.7
assign (resid 20 and name HG2*)(resid 37 and name HB1) 0 0 5.2
! residue 21
assign (resid 21 and name HA)(resid 22 and name HN) 0 0 3.5
assign (resid 21 and name HB1)(resid 24 and name HD1) 0 0 4.5
assign (resid 21 and name HB1)(resid 23 and name HN) 0 0 4.5
assign (resid 21 and name HB1)(resid 24 and name HN) 0 0 4.5
assign (resid 21 and name HB1)(resid 24 and name HN) 0 0 4.5
assign (resid 21 and name HB2)(resid 24 and name HE1) 0 0 6.0
assign (resid 21 and name HA)(resid 21 and name HB1) 0 0 5.0
assign (resid 21 and name HA)(resid 21 and name HB2) 0 0 5.0
assign (resid 21 and name HD*)(resid 21 and name HB2) 0 0 6.0
assign (resid 21 and name HG1)(resid 21 and name HB1) 0 0 5.0
assign (resid 21 and name HG1)(resid 21 and name HB2) 0 0 5.0
assign (resid 21 and name HG2)(resid 21 and name HB1) 0 0 5.0
assign (resid 21 and name HG2)(resid 21 and name HB2) 0 0 5.0
assign (resid 21 and name HB1)(resid 21 and name HB2) 0 0 2.7
assign (resid 21 and name HG1)(resid 21 and name HG2) 0 0 2.7
assign (resid 21 and name HA)(resid 21 and name HG2) 0 0 5.0
assign (resid 21 and name HD1)(resid 21 and name HG2) 0 0 2.7
assign (resid 21 and name HG2)(resid 21 and name HD2) 0 0 5.0
assign (resid 21 and name HD2)(resid 21 and name HB1) 0 0 5.0
! residue 22
assign (resid 22 and name HN)(resid 22 and name HA) 0 0 3.5
assign (resid 22 and name HA)(resid 25 and name HN) 0 0 5.0
assign (resid 22 and name HB1)(resid 23 and name HN) 0 0 3.5
assign (resid 22 and name HB2)(resid 23 and name HN) 0 0 3.5
assign (resid 22 and name HA)(resid 22 and name HB1) 0 0 2.7
assign (resid 22 and name HA)(resid 22 and name HB2) 0 0 2.7
assign (resid 22 and name HG1)(resid 22 and name HA) 0 0 5.0
assign (resid 22 and name HG2)(resid 22 and name HA) 0 0 5.0
assign (resid 22 and name HN)(resid 23 and name HN) 0 0 3.5
! residue 23
assign (resid 23 and name HB1)(resid 24 and name HD1) 0 0 5.0
assign (resid 23 and name HB2)(resid 24 and name HD1) 0 0 5.0
assign (resid 23 and name HN)(resid 23 and name HB1) 0 0 2.7
assign (resid 23 and name HN)(resid 23 and name HB2) 0 0 2.7
assign (resid 23 and name HD*)(resid 23 and name HB1) 0 0 4.7
assign (resid 23 and name HD*)(resid 23 and name HB2) 0 0 4.7
assign (resid 23 and name HD*)(resid 24 and name HD1) 0 0 5.5
assign (resid 23 and name HA)(resid 23 and name HB1) 0 0 2.7
assign (resid 23 and name HA)(resid 23 and name HB2) 0 0 2.7
assign (resid 23 and name HB1)(resid 23 and name HB2) 0 0 2.7
assign (resid 23 and name HA)(resid 23 and name HD*) 0 0 7.0
! residue 24
assign (resid 24 and name HE3)(resid 31 and name HB1) 0 0 2.7
assign (resid 24 and name HE3)(resid 31 and name HB2) 0 0 2.7
assign (resid 24 and name HA)(resid 25 and name HN) 0 0 3.5
assign (resid 24 and name HN)(resid 24 and name HA) 0 0 3.5
assign (resid 24 and name HB2)(resid 24 and name HN) 0 0 2.7
assign (resid 24 and name HN)(resid 24 and name HB1) 0 0 3.5
assign (resid 24 and name HA)(resid 24 and name HB2) 0 0 2.7
assign (resid 24 and name HA)(resid 24 and name HB1) 0 0 3.5
assign (resid 24 and name HE3)(resid 29 and name HB2) 0 0 3.7
assign (resid 24 and name HB1)(resid 24 and name HB2) 0 0 2.7
assign (resid 24 and name HZ3)(resid 20 and name HD1*) 0 0 6.5
assign (resid 24 and name HZ3)(resid 29 and name HB2) 0 0 4.5
assign (resid 24 and name HA)(resid 27 and name HB2) 0 0 3.5
assign (resid 24 and name HN)(resid 25 and name HN) 0 0 2.7
! residue 25
assign (resid 25 and name HA)(resid 26 and name HN) 0 0 2.7
assign (resid 25 and name HB*)(resid 26 and name HN) 0 0 4.5
assign (resid 25 and name HN)(resid 25 and name HB*) 0 0 4.5
assign (resid 25 and name HN)(resid 25 and name HG*) 0 0 4.5
assign (resid 25 and name HA)(resid 37 and name HB1) 0 0 5.0
assign (resid 25 and name HA)(resid 37 and name HB2) 0 0 5.0
assign (resid 25 and name HD2)(resid 37 and name HA) 0 0 6.0
assign (resid 25 and name HA)(resid 25 and name HB*) 0 0 5.0
assign (resid 25 and name HA)(resid 25 and name HG1) 0 0 5.0
assign (resid 25 and name HA)(resid 25 and name HG2) 0 0 5.0
assign (resid 25 and name HD1)(resid 25 and name HB*) 0 0 4.5
assign (resid 25 and name HD1)(resid 25 and name HG1) 0 0 5.0
assign (resid 25 and name HD1)(resid 25 and name HG2) 0 0 5.0
assign (resid 25 and name HD2)(resid 25 and name HG1) 0 0 5.0
assign (resid 25 and name HD2)(resid 25 and name HG2) 0 0 5.0
! residue 26 
assign (resid 26 and name HN)(resid 26 and name HA) 0 0 3.5
assign (resid 26 and name HN)(resid 27 and name HN) 0 0 3.5
! residue 27 
assign (resid 27 and name HN)(resid 27 and name HB1) 0 0 3.5 
assign (resid 27 and name HN)(resid 27 and name HB2) 0 0 3.5 
assign (resid 27 and name HN)(resid 28 and name HN) 0 0 2.7
assign (resid 27 and name HA)(resid 27 and name HB1) 0 0 2.7
assign (resid 27 and name HA)(resid 27 and name HB2) 0 0 2.7
assign (resid 27 and name HB1)(resid 27 and name HB2) 0 0 2.7
assign (resid 27 and name HN)(resid 29 and name HN) 0 0 5.0
! residue 28
assign (resid 28 and name HN)(resid 28 and name HA1) 0 0 3.5
assign (resid 28 and name HN)(resid 28 and name HA2) 0 0 3.5
assign (resid 28 and name HA1)(resid 30 and name HG2*) 0 0 6.2
assign (resid 28 and name HA1)(resid 28 and name HA2) 0 0 2.7
assign (resid 28 and name HN)(resid 29 and name HN) 0 0 2.7
!residue 29 
assign (resid 29 and name HB*)(resid 31 and name HN) 0 0 6.0
assign (resid 29 and name HG*)(resid 31 and name HN) 0 0 6.0
assign (resid 29 and name HB1)(resid 30 and name HN) 0 0 3.5
assign (resid 29 and name HN)(resid 29 and name HB1) 0 0 5.0
assign (resid 29 and name HN)(resid 29 and name HB2) 0 0 5.0
assign (resid 29 and name HN)(resid 29 and name HG1) 0 0 3.5
assign (resid 29 and name HN)(resid 29 and name HG2) 0 0 3.5
assign (resid 29 and name HB1)(resid 30 and name HA) 0 0 5.0
assign (resid 29 and name HB2)(resid 30 and name HA) 0 0 5.0
assign (resid 29 and name HG*)(resid 30 and name HA) 0 0 6.0
assign (resid 29 and name HA)(resid 29 and name HB1) 0 0 3.5
assign (resid 29 and name HA)(resid 29 and name HB2) 0 0 3.5
assign (resid 29 and name HG1)(resid 29 and name HG2) 0 0 2.7
assign (resid 29 and name HG1)(resid 29 and name HB1) 0 0 2.7
assign (resid 29 and name HG1)(resid 29 and name HB2) 0 0 2.7
assign (resid 29 and name HG2)(resid 29 and name HB1) 0 0 2.7
assign (resid 29 and name HB1)(resid 29 and name HB2) 0 0 2.7
! residue 30
assign (resid 30 and name HN)(resid 30 and name HA) 0 0 3.5
assign (resid 30 and name HB)(resid 30 and name HN) 0 0 2.7
assign (resid 30 and name HN)(resid 30 and name HG1*) 0 0 6.5
assign (resid 30 and name HN)(resid 30 and name HG2*) 0 0 6.5
assign (resid 30 and name  HA)(resid   31 and name  HN    ) 0 0 2.7 !
assign (resid 30 and name  HG1*)(resid 31  and name  HN    ) 0 0 5.0 !  1
assign (resid 30 and name  HG2*)(resid 31 and name HN) 0 0 5.0
assign (resid 30 and name HG1*)(resid 32 and name HN) 0 0 4.2
assign (resid 30 and name HG2*)(resid 32 and name HN) 0 0 5.2
assign (resid 30 and name HB)(resid 31 and name HN) 0 0 5.0
assign (resid 30 and name HA)(resid 32 and name HN) 0 0 3.5
assign (resid 30 and name HA)(resid 30 and name HB) 0 0 3.5
assign (resid 30 and name HA)(resid 30 and name HG1*) 0 0 4.2
assign (resid 30 and name HA)(resid 30 and name HG2*) 0 0 4.2
assign (resid 30 and name HB)(resid 30 and name HG1*) 0 0 4.2
assign (resid 30 and name HB)(resid 30 and name HG2*) 0 0 4.2
assign (resid 30 and name HG1*)(resid 35 and name HN) 0 0 5.2
! residue 31
assign (resid 31 and name HN)(resid 31 and name HB1) 0 0 3.5
assign (resid 31 and name HN)(resid 31 and name HB2) 0 0 3.5
assign (resid 31 and name HN)(resid 32 and name HN) 0 0 2.7
assign (resid 31 and name HA)(resid 31 and name HB1) 0 0 2.7
assign (resid 31 and name HA)(resid 31 and name HB2) 0 0 2.7
assign (resid 31 and name HB1)(resid 31 and name HB2) 0 0 2.7
! residue 32
assign (resid 32 and name HA)(resid 32 and name HB1) 0 0 2.7
assign (resid 32 and name HA)(resid 32 and name HB2) 0 0 3.5
assign (resid 32 and name HB1)(resid 32 and name HB2) 0 0 2.7
assign (resid 32 and name HA)(resid 33 and name HN) 0 0 3.5
assign (resid 32 and name HN)(resid 32 and name HA) 0 0 3.5
assign (resid 32 and name HN)(resid 32 and name HB1) 0 0 5.0
assign (resid 32 and name HN)(resid 32 and name HB2) 0 0 2.7
assign (resid 32 and name HB1)(resid 34 and name HN) 0 0 6.0
assign (resid 32 and name HB1)(resid 35 and name HN) 0 0 5.0
assign (resid 32 and name HB2)(resid 35 and name HN) 0 0 5.0
! residue 33
assign (resid 33 and name HN)(resid 33 and name HB*) 0 0 4.5
assign (resid 33 and name HB*)(resid 34 and name HN) 0 0 6.0
! residue 34
assign (resid 34 and name HN)(resid 34 and name HB1) 0 0 5.0
assign (resid 34 and name HN)(resid 34 and name HB2) 0 0 5.0
assign (resid 34 and name HA)(resid 34 and name HB1) 0 0 2.7
assign (resid 34 and name HA)(resid 34 and name HB2) 0 0 2.7
assign (resid 34 and name HB1)(resid 34 and name HB2) 0 0 2.7
! residue 35
assign (resid 35 and name HN)(resid 35 and name HA1) 0 0 3.5
assign (resid 35 and name HN)(resid 35 and name HA2) 0 0 3.5
assign (resid 35 and name HN)(resid 35 and name HA1) 0 0 3.5
assign (resid 35 and name HN)(resid 35 and name HA2) 0 0 3.5
assign (resid 35 and name HA2)(resid 36 and name HN) 0 0 3.5
assign (resid 35 and name HA2)(resid 35 and name HA1) 0 0 2.7
! residue 36
assign (resid 36 and name HN)(resid 32 and name HB1) 0 0 3.5
assign (resid 36 and name HN)(resid 32 and name HB2) 0 0 3.5
assign (resid 36 and name HB*)(resid 39 and name HB*) 0 0 5.7
assign (resid 36 and name HB*)(resid 39 and name HG1) 0 0 4.7
assign (resid 36 and name HB*)(resid 39 and name HG2) 0 0 4.7
assign (resid 36 and name HA)(resid 36 and name HB*) 0 0 3.7
assign (resid 36 and name HN)(resid 37 and name HN) 0 0 3.5
! residue 37
assign (resid 37 and name HN)(resid 37 and name HA) 0 0 2.7
assign (resid 37 and name HN)(resid 37 and name HB1) 0 0 3.5
assign (resid 37 and name HN)(resid 37 and name HB2) 0 0 3.5
assign (resid 37 and name HN)(resid 32 and name HB1) 0 0 3.5
assign (resid 37 and name HN)(resid 32 and name HB2) 0 0 2.7
assign (resid 37 and name HA)(resid 37 and name HB1) 0 0 2.7
assign (resid 37 and name HA)(resid 37 and name HB2) 0 0 2.7
assign (resid 37 and name HB1)(resid 37 and name HB2) 0 0 2.7
assign (resid 37 and name HN)(resid 38 and name HN) 0 0 2.7
! residue 38
assign (resid 38 and name HN)(resid 38 and name HB*) 0 0 3.7
assign (resid 38 and name HN)(resid 38 and name HG*) 0 0 4.5
! residue 39
assign (resid 39 and name HN)(resid 39 and name HB1) 0 0 2.7
assign (resid 39 and name HN)(resid 39 and name HB2) 0 0 2.7
assign (resid 39 and name HN)(resid 39 and name HG*) 0 0 4.5
assign (resid 39 and name HA)(resid 39 and name HB1) 0 0 2.7
assign (resid 39 and name HA)(resid 39 and name HB2) 0 0 2.7
assign (resid 39 and name HA)(resid 39 and name HG*) 0 0 3.7
! residue 40
assign (resid 40 and name HA1)(resid 40 and name HA2) 0 0 2.7
! residue 41
assign (resid 41 and name HN)(resid 41 and name HB1) 0 0 2.7
assign (resid 41 and name HN)(resid 41 and name HB2) 0 0 2.7
assign (resid 41 and name HA)(resid 41 and name HB1) 0 0 3.5
assign (resid 41 and name HA)(resid 41 and name HB2) 0 0 3.5
assign (resid 41 and name HB1)(resid 41 and name HB2) 0 0 2.7

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  276 H/Q atoms
  Start of MODEL    1
    1   1H    LEU   1          2H        LEU   1  12.342   6.964 -10.042
    2   2H    LEU   1          1H        LEU   1  13.753   6.676  -9.141
    3   3H    LEU   1          3H        LEU   1  13.502   8.192  -9.859
    4    HA   LEU   1           HA       LEU   1  13.924   7.430 -11.985
    5   1HB   LEU   1          2HB       LEU   1  15.880   7.298 -10.251
    6   2HB   LEU   1          1HB       LEU   1  15.702   5.554 -10.437
    7    HG   LEU   1           HG       LEU   1  15.807   6.004 -12.978
    8   1HD1  LEU   1          2HD1      LEU   1  16.736   8.638 -11.824
    9   2HD1  LEU   1          1HD1      LEU   1  17.234   8.095 -13.427
   10   3HD1  LEU   1          3HD1      LEU   1  15.526   8.363 -13.079
   11   1HD2  LEU   1          3HD2      LEU   1  18.209   6.478 -11.183
   12   2HD2  LEU   1          2HD2      LEU   1  17.630   4.919 -11.773
   13   3HD2  LEU   1          1HD2      LEU   1  18.310   6.092 -12.901
   14    H    SER   2           H        SER   2  11.673   6.219 -11.983
   15    HA   SER   2           HA       SER   2  10.469   4.341 -12.701
   16   1HB   SER   2          2HB       SER   2  12.747   4.347 -14.184
   17   2HB   SER   2          1HB       SER   2  12.908   2.790 -13.375
   18    HG   SER   2           HG       SER   2  10.957   3.710 -15.165
   19    H    VAL   3           H        VAL   3  11.058   4.463  -9.963
   20    HA   VAL   3           HA       VAL   3  12.272   2.179  -8.844
   21    HB   VAL   3           HB       VAL   3  11.631   4.162  -7.527
   22   1HG1  VAL   3          3HG1      VAL   3   9.327   4.220  -8.833
   23   2HG1  VAL   3          2HG1      VAL   3   8.782   3.238  -7.474
   24   3HG1  VAL   3          1HG1      VAL   3   9.441   4.849  -7.190
   25   1HG2  VAL   3          3HG2      VAL   3  11.906   1.901  -6.444
   26   2HG2  VAL   3          2HG2      VAL   3  10.852   2.999  -5.553
   27   3HG2  VAL   3          1HG2      VAL   3  10.155   1.708  -6.530
   28    H    THR   4           H        THR   4  11.339   0.197  -8.052
   29    HA   THR   4           HA       THR   4   8.749  -0.546  -9.353
   30    HB   THR   4           HB       THR   4   9.734  -2.883  -9.483
   31    HG1  THR   4           HG1      THR   4  12.129  -1.448  -8.993
   32   1HG2  THR   4          1HG2      THR   4   9.679  -1.088 -11.351
   33   2HG2  THR   4          3HG2      THR   4  11.405  -0.915 -11.036
   34   3HG2  THR   4          2HG2      THR   4  10.757  -2.467 -11.563
   35    H    CYS   5           H        CYS   5   7.504  -2.165  -8.161
   36    HA   CYS   5           HA       CYS   5   8.097  -2.096  -5.243
   37   1HB   CYS   5          2HB       CYS   5   5.706  -1.691  -6.789
   38   2HB   CYS   5          1HB       CYS   5   5.464  -2.988  -5.629
   39    H    LYS   6           H        LYS   6   9.067  -4.071  -7.383
   40    HA   LYS   6           HA       LYS   6   9.425  -6.382  -7.526
   41   1HB   LYS   6          2HB       LYS   6   8.420  -6.317  -4.664
   42   2HB   LYS   6          1HB       LYS   6   9.327  -7.632  -5.414
   43   1HG   LYS   6          2HG       LYS   6  11.308  -6.419  -5.475
   44   2HG   LYS   6          1HG       LYS   6  10.475  -4.864  -5.479
   45   1HD   LYS   6          2HD       LYS   6  10.055  -4.935  -3.170
   46   2HD   LYS   6          1HD       LYS   6  10.276  -6.683  -3.089
   47   1HE   LYS   6          2HE       LYS   6  12.713  -5.567  -4.071
   48   2HE   LYS   6          1HE       LYS   6  12.227  -4.625  -2.662
   49   1HZ   LYS   6          3HZ       LYS   6  11.967  -6.686  -1.423
   50   2HZ   LYS   6          2HZ       LYS   6  12.455  -7.583  -2.780
   51   3HZ   LYS   6          1HZ       LYS   6  13.548  -6.530  -2.017
   52    H    SER   7           H        SER   7   8.069  -8.581  -6.650
   53    HA   SER   7           HA       SER   7   5.380  -8.183  -7.874
   54   1HB   SER   7          2HB       SER   7   6.704 -10.844  -7.355
   55   2HB   SER   7          1HB       SER   7   5.445 -10.457  -8.524
   56    HG   SER   7           HG       SER   7   8.087 -10.404  -8.840
   57    H    GLY   8           H        GLY   8   3.522  -8.747  -6.751
   58   1HA   GLY   8          2HA       GLY   8   2.445 -10.076  -4.947
   59   2HA   GLY   8          1HA       GLY   8   3.890  -9.803  -3.977
   60    H    ASP   9           H        ASP   9   4.025  -6.949  -4.930
   61    HA   ASP   9           HA       ASP   9   2.165  -5.840  -2.931
   62   1HB   ASP   9          2HB       ASP   9   4.086  -4.267  -4.643
   63   2HB   ASP   9          1HB       ASP   9   3.463  -3.868  -3.050
   64    H    PHE  10           H        PHE  10   1.726  -3.325  -3.975
   65    HA   PHE  10           HA       PHE  10   0.879  -3.281  -6.665
   66   1HB   PHE  10          2HB       PHE  10  -1.173  -4.226  -6.671
   67   2HB   PHE  10          1HB       PHE  10  -0.871  -4.767  -5.032
   68    HD1  PHE  10           HD2      PHE  10  -2.130  -1.743  -6.913
   69    HD2  PHE  10           HD1      PHE  10  -2.339  -4.114  -3.330
   70    HE1  PHE  10           HE2      PHE  10  -4.051  -0.367  -6.115
   71    HE2  PHE  10           HE1      PHE  10  -4.254  -2.738  -2.553
   72    HZ   PHE  10           HZ       PHE  10  -5.105  -0.905  -3.904
   73    H    SER  11           H        SER  11   1.390  -1.196  -6.982
   74    HA   SER  11           HA       SER  11   1.196   0.822  -4.923
   75   1HB   SER  11          2HB       SER  11   1.902   2.371  -6.624
   76   2HB   SER  11          1HB       SER  11   2.758   0.865  -6.946
   77    HG   SER  11           HG       SER  11   0.896   2.186  -8.439
   78    H    CYS  12           H        CYS  12  -0.692   1.729  -4.265
   79    HA   CYS  12           HA       CYS  12  -3.236   1.187  -5.239
   80   1HB   CYS  12          2HB       CYS  12  -2.666   2.366  -3.107
   81   2HB   CYS  12          1HB       CYS  12  -2.460   3.823  -4.064
   82    H    GLY  13           H        GLY  13  -1.641   4.348  -5.816
   83   1HA   GLY  13          2HA       GLY  13  -2.301   4.320  -8.650
   84   2HA   GLY  13          1HA       GLY  13  -3.351   5.395  -7.726
   85    H    GLY  14           H        GLY  14  -0.215   4.995  -9.098
   86   1HA   GLY  14          2HA       GLY  14   1.528   6.536  -9.401
   87   2HA   GLY  14          1HA       GLY  14   0.417   7.787  -8.845
   88    H    ARG  15           H        ARG  15   1.071   5.009  -6.824
   89    HA   ARG  15           HA       ARG  15   2.086   4.847  -4.721
   90   1HB   ARG  15          2HB       ARG  15   3.915   6.974  -5.878
   91   2HB   ARG  15          1HB       ARG  15   4.258   5.974  -4.467
   92   1HG   ARG  15          2HG       ARG  15   3.511   4.232  -6.620
   93   2HG   ARG  15          1HG       ARG  15   4.722   5.359  -7.226
   94   1HD   ARG  15          2HD       ARG  15   5.286   4.244  -4.543
   95   2HD   ARG  15          1HD       ARG  15   5.327   3.077  -5.866
   96    HE   ARG  15           HE       ARG  15   7.044   4.528  -6.948
   97   1HH1  ARG  15          1HH2      ARG  15   7.172   7.071  -5.894
   98   2HH1  ARG  15          2HH2      ARG  15   8.235   6.997  -4.528
   99   1HH2  ARG  15          2HH1      ARG  15   8.016   3.552  -4.209
  100   2HH2  ARG  15          1HH1      ARG  15   8.713   5.005  -3.575
  101    H    VAL  16           H        VAL  16  -0.004   5.941  -4.006
  102    HA   VAL  16           HA       VAL  16  -0.220   8.701  -3.492
  103    HB   VAL  16           HB       VAL  16  -2.111   7.131  -3.324
  104   1HG1  VAL  16          1HG1      VAL  16  -0.434   5.519  -1.934
  105   2HG1  VAL  16          3HG1      VAL  16  -1.337   6.241  -0.603
  106   3HG1  VAL  16          2HG1      VAL  16  -2.190   5.369  -1.877
  107   1HG2  VAL  16          3HG2      VAL  16  -1.463   8.674  -0.796
  108   2HG2  VAL  16          2HG2      VAL  16  -2.379   9.251  -2.187
  109   3HG2  VAL  16          1HG2      VAL  16  -3.052   7.994  -1.149
  110    H    ASN  17           H        ASN  17   1.657   6.266  -1.862
  111    HA   ASN  17           HA       ASN  17   3.207   8.133  -0.399
  112   1HB   ASN  17          2HB       ASN  17   2.354   7.351   1.950
  113   2HB   ASN  17          1HB       ASN  17   1.503   8.648   1.116
  114   1HD2  ASN  17          2HD2      ASN  17  -1.516   6.869   1.365
  115   2HD2  ASN  17          1HD2      ASN  17  -0.702   8.356   1.457
  116    H    ARG  18           H        ARG  18   1.922   4.836  -0.542
  117    HA   ARG  18           HA       ARG  18   4.648   3.795  -0.346
  118   1HB   ARG  18          2HB       ARG  18   4.037   2.183   1.478
  119   2HB   ARG  18          1HB       ARG  18   4.143   3.864   2.005
  120   1HG   ARG  18          2HG       ARG  18   1.812   4.122   2.028
  121   2HG   ARG  18          1HG       ARG  18   1.548   2.667   1.076
  122   1HD   ARG  18          2HD       ARG  18   1.118   1.719   3.111
  123   2HD   ARG  18          1HD       ARG  18   2.876   1.620   3.208
  124    HE   ARG  18           HE       ARG  18   1.874   4.163   4.188
  125   1HH1  ARG  18          2HH1      ARG  18   4.187   2.972   5.475
  126   2HH1  ARG  18          1HH1      ARG  18   3.546   2.281   6.928
  127   1HH2  ARG  18          1HH2      ARG  18   0.259   2.346   5.821
  128   2HH2  ARG  18          2HH2      ARG  18   1.320   1.929   7.125
  129    H    CYS  19           H        CYS  19   4.298   1.164  -0.225
  130    HA   CYS  19           HA       CYS  19   2.597   0.598  -2.576
  131   1HB   CYS  19          2HB       CYS  19   5.117  -0.240  -1.886
  132   2HB   CYS  19          1HB       CYS  19   4.123  -1.611  -1.419
  133    H    ILE  20           H        ILE  20   1.553  -1.714  -2.439
  134    HA   ILE  20           HA       ILE  20   0.269  -2.056   0.238
  135    HB   ILE  20           HB       ILE  20  -1.101  -2.217  -2.465
  136   1HG1  ILE  20          2HG1      ILE  20  -0.460   0.093  -1.816
  137   2HG1  ILE  20          1HG1      ILE  20  -2.206  -0.134  -1.849
  138   1HG2  ILE  20          2HG2      ILE  20  -2.151  -2.398   0.371
  139   2HG2  ILE  20          1HG2      ILE  20  -3.179  -2.211  -1.039
  140   3HG2  ILE  20          3HG2      ILE  20  -2.200  -3.664  -0.859
  141   1HD1  ILE  20          3HD1      ILE  20  -0.490  -0.300   0.650
  142   2HD1  ILE  20          2HD1      ILE  20  -1.500   1.072   0.204
  143   3HD1  ILE  20          1HD1      ILE  20  -2.242  -0.481   0.582
  144    HA   PRO  21           HA       PRO  21   1.595  -6.244  -0.496
  145   1HB   PRO  21          2HB       PRO  21   0.004  -7.518   1.364
  146   2HB   PRO  21          1HB       PRO  21   1.485  -6.652   1.773
  147   1HG   PRO  21          2HG       PRO  21  -1.331  -5.789   2.139
  148   2HG   PRO  21          1HG       PRO  21   0.087  -5.394   3.109
  149   1HD   PRO  21          2HD       PRO  21  -1.092  -3.696   1.262
  150   2HD   PRO  21          1HD       PRO  21   0.573  -3.571   1.828
  151    H    GLN  22           H        GLN  22   0.731  -8.286  -1.347
  152    HA   GLN  22           HA       GLN  22  -1.369  -7.999  -3.234
  153   1HB   GLN  22          2HB       GLN  22   0.484  -9.991  -2.517
  154   2HB   GLN  22          1HB       GLN  22  -1.101 -10.741  -2.423
  155   1HG   GLN  22          2HG       GLN  22  -1.621 -10.053  -4.698
  156   2HG   GLN  22          1HG       GLN  22  -0.104  -9.158  -4.803
  157   1HE2  GLN  22          2HE2      GLN  22   0.190 -12.700  -6.232
  158   2HE2  GLN  22          1HE2      GLN  22  -1.015 -11.522  -6.441
  159    H    PHE  23           H        PHE  23  -1.403  -8.845   0.148
  160    HA   PHE  23           HA       PHE  23  -4.020 -10.016   0.231
  161   1HB   PHE  23          2HB       PHE  23  -2.230 -10.154   2.025
  162   2HB   PHE  23          1HB       PHE  23  -2.702  -8.518   2.454
  163    HD1  PHE  23           HD2      PHE  23  -3.848 -12.023   2.257
  164    HD2  PHE  23           HD1      PHE  23  -4.802  -8.037   3.540
  165    HE1  PHE  23           HE2      PHE  23  -5.766 -12.902   3.562
  166    HE2  PHE  23           HE1      PHE  23  -6.720  -8.915   4.844
  167    HZ   PHE  23           HZ       PHE  23  -7.202 -11.347   4.855
  168    H    TRP  24           H        TRP  24  -2.822  -6.658   0.584
  169    HA   TRP  24           HA       TRP  24  -5.504  -5.663   1.125
  170   1HB   TRP  24          2HB       TRP  24  -2.803  -4.509   0.751
  171   2HB   TRP  24          1HB       TRP  24  -4.195  -3.438   0.726
  172    HD1  TRP  24           HD1      TRP  24  -3.071  -6.418   2.942
  173    HE1  TRP  24           HE1      TRP  24  -3.431  -5.753   5.411
  174    HE3  TRP  24           HE3      TRP  24  -4.806  -1.635   2.328
  175    HZ2  TRP  24           HZ2      TRP  24  -4.327  -3.499   6.925
  176    HZ3  TRP  24           HZ3      TRP  24  -5.400  -0.267   4.309
  177    HH2  TRP  24           HH2      TRP  24  -5.154  -1.184   6.599
  178    H    ARG  25           H        ARG  25  -4.005  -6.735  -1.715
  179    HA   ARG  25           HA       ARG  25  -5.052  -4.655  -3.481
  180   1HB   ARG  25          2HB       ARG  25  -3.129  -5.951  -4.251
  181   2HB   ARG  25          1HB       ARG  25  -4.016  -7.459  -4.048
  182   1HG   ARG  25          2HG       ARG  25  -3.996  -6.832  -6.416
  183   2HG   ARG  25          1HG       ARG  25  -5.638  -6.712  -5.786
  184   1HD   ARG  25          2HD       ARG  25  -5.139  -4.229  -5.377
  185   2HD   ARG  25          1HD       ARG  25  -3.704  -4.462  -6.366
  186    HE   ARG  25           HE       ARG  25  -5.866  -5.492  -7.846
  187   1HH1  ARG  25          2HH1      ARG  25  -7.480  -3.294  -6.807
  188   2HH1  ARG  25          1HH1      ARG  25  -7.084  -1.969  -7.850
  189   1HH2  ARG  25          1HH2      ARG  25  -4.194  -3.447  -9.068
  190   2HH2  ARG  25          2HH2      ARG  25  -5.224  -2.057  -9.131
  191    H    CYS  26           H        CYS  26  -6.921  -4.861  -4.795
  192    HA   CYS  26           HA       CYS  26  -9.025  -5.691  -5.492
  193   1HB   CYS  26          2HB       CYS  26  -8.090  -8.062  -4.853
  194   2HB   CYS  26          1HB       CYS  26  -9.008  -7.829  -3.365
  195    H    ASP  27           H        ASP  27  -8.477  -6.074  -1.973
  196    HA   ASP  27           HA       ASP  27 -10.940  -4.565  -1.419
  197   1HB   ASP  27          2HB       ASP  27  -8.986  -6.085   0.269
  198   2HB   ASP  27          1HB       ASP  27 -10.238  -5.081   0.981
  199    H    GLY  28           H        GLY  28  -7.772  -4.503   0.160
  200   1HA   GLY  28          2HA       GLY  28  -6.193  -2.727   0.275
  201   2HA   GLY  28          1HA       GLY  28  -7.312  -1.698  -0.628
  202    H    GLN  29           H        GLN  29  -9.473  -2.663   1.438
  203    HA   GLN  29           HA       GLN  29 -10.412  -1.598   3.321
  204   1HB   GLN  29          2HB       GLN  29  -7.515  -1.264   4.208
  205   2HB   GLN  29          1HB       GLN  29  -8.938  -1.303   5.237
  206   1HG   GLN  29          2HG       GLN  29  -9.105  -3.666   3.822
  207   2HG   GLN  29          1HG       GLN  29  -7.386  -3.476   4.134
  208   1HE2  GLN  29          2HE2      GLN  29  -8.207  -3.190   7.807
  209   2HE2  GLN  29          1HE2      GLN  29  -7.569  -2.106   6.668
  210    H    VAL  30           H        VAL  30  -7.800   0.577   4.016
  211    HA   VAL  30           HA       VAL  30  -8.424   2.288   1.792
  212    HB   VAL  30           HB       VAL  30  -9.190   3.031   4.604
  213   1HG1  VAL  30          3HG1      VAL  30  -8.308   4.747   2.341
  214   2HG1  VAL  30          2HG1      VAL  30  -9.864   5.201   3.034
  215   3HG1  VAL  30          1HG1      VAL  30  -8.427   5.144   4.054
  216   1HG2  VAL  30          2HG2      VAL  30 -10.496   2.700   1.912
  217   2HG2  VAL  30          1HG2      VAL  30 -10.897   1.894   3.428
  218   3HG2  VAL  30          3HG2      VAL  30 -11.289   3.598   3.205
  219    H    ASP  31           H        ASP  31  -6.171   1.102   2.052
  220    HA   ASP  31           HA       ASP  31  -4.173   2.545   3.586
  221   1HB   ASP  31          2HB       ASP  31  -4.011   0.119   2.665
  222   2HB   ASP  31          1HB       ASP  31  -3.587   0.882   1.173
  223    H    CYS  32           H        CYS  32  -5.982   3.240   0.801
  224    HA   CYS  32           HA       CYS  32  -3.893   4.857  -0.499
  225   1HB   CYS  32          2HB       CYS  32  -6.816   4.423  -1.213
  226   2HB   CYS  32          1HB       CYS  32  -5.597   5.177  -2.236
  227    H    ASP  33           H        ASP  33  -6.340   5.264   1.887
  228    HA   ASP  33           HA       ASP  33  -7.197   7.155   2.944
  229   1HB   ASP  33          2HB       ASP  33  -4.647   8.172   1.716
  230   2HB   ASP  33          1HB       ASP  33  -5.755   9.310   2.483
  231    H    ASN  34           H        ASN  34  -6.034   9.131   0.234
  232    HA   ASN  34           HA       ASN  34  -8.882   9.503  -0.570
  233   1HB   ASN  34          2HB       ASN  34  -8.023  11.622  -1.641
  234   2HB   ASN  34          1HB       ASN  34  -7.861  11.591   0.116
  235   1HD2  ASN  34          2HD2      ASN  34  -4.536  11.801  -2.199
  236   2HD2  ASN  34          1HD2      ASN  34  -6.090  11.763  -2.884
  237    H    GLY  35           H        GLY  35  -7.406   7.218  -1.433
  238   1HA   GLY  35          2HA       GLY  35  -7.000   7.869  -4.334
  239   2HA   GLY  35          1HA       GLY  35  -6.103   6.601  -3.502
  240    H    SER  36           H        SER  36  -6.831   4.742  -4.496
  241    HA   SER  36           HA       SER  36  -9.557   3.886  -3.950
  242   1HB   SER  36          2HB       SER  36  -9.783   3.428  -6.579
  243   2HB   SER  36          1HB       SER  36 -10.346   4.925  -5.843
  244    HG   SER  36           HG       SER  36  -9.003   5.319  -7.646
  245    H    ASP  37           H        ASP  37  -7.773   2.427  -2.927
  246    HA   ASP  37           HA       ASP  37  -6.130   0.645  -4.354
  247   1HB   ASP  37          2HB       ASP  37  -6.972  -1.054  -2.446
  248   2HB   ASP  37          1HB       ASP  37  -5.819   0.217  -2.109
  249    H    GLU  38           H        GLU  38  -9.612   0.557  -3.893
  250    HA   GLU  38           HA       GLU  38  -9.768  -2.022  -5.366
  251   1HB   GLU  38          2HB       GLU  38 -12.184  -1.947  -4.726
  252   2HB   GLU  38          1HB       GLU  38 -11.104  -1.904  -3.333
  253   1HG   GLU  38          2HG       GLU  38 -11.640   0.261  -2.809
  254   2HG   GLU  38          1HG       GLU  38 -11.858   0.725  -4.496
  255    H    GLN  39           H        GLN  39  -8.930  -0.519  -7.234
  256    HA   GLN  39           HA       GLN  39 -11.189   0.890  -8.550
  257   1HB   GLN  39          2HB       GLN  39  -8.778   1.853  -8.213
  258   2HB   GLN  39          1HB       GLN  39  -8.417   0.840  -9.599
  259   1HG   GLN  39          2HG       GLN  39 -10.754   2.083 -10.383
  260   2HG   GLN  39          1HG       GLN  39  -9.929   3.350  -9.479
  261   1HE2  GLN  39          2HE2      GLN  39  -7.972   4.060 -12.316
  262   2HE2  GLN  39          1HE2      GLN  39  -8.953   4.647 -11.060
  263    H    GLY  40           H        GLY  40 -11.874  -1.596  -8.718
  264   1HA   GLY  40          2HA       GLY  40 -12.566  -3.027 -10.515
  265   2HA   GLY  40          1HA       GLY  40 -11.249  -2.388 -11.501
  266    H    CYS  41           HN       CYS  41 -12.219  -4.950  -9.466
  267    HA   CYS  41           HA       CYS  41  -9.449  -5.872  -8.970
  268   1HB   CYS  41          2HB       CYS  41 -11.362  -6.050  -7.262
  269   2HB   CYS  41          1HB       CYS  41 -11.994  -7.347  -8.276
   
  No H/Q in entry =         269
  Start of MODEL           2
 Raw file had  276 H/Q atoms
  Start of MODEL    2
    1   1H    LEU   1          3H        LEU   1  13.047  10.784  -2.798
    2   2H    LEU   1          2H        LEU   1  11.934  11.026  -4.058
    3   3H    LEU   1          1H        LEU   1  11.442  10.267  -2.618
    4    HA   LEU   1           HA       LEU   1  11.711   8.601  -4.303
    5   1HB   LEU   1          2HB       LEU   1  14.314  10.054  -4.664
    6   2HB   LEU   1          1HB       LEU   1  14.227   8.335  -5.050
    7    HG   LEU   1           HG       LEU   1  12.231  10.334  -6.125
    8   1HD1  LEU   1          1HD1      LEU   1  14.608  10.883  -6.795
    9   2HD1  LEU   1          3HD1      LEU   1  14.696   9.288  -7.544
   10   3HD1  LEU   1          2HD1      LEU   1  13.544  10.480  -8.144
   11   1HD2  LEU   1          2HD2      LEU   1  12.054   7.656  -6.039
   12   2HD2  LEU   1          1HD2      LEU   1  11.451   8.585  -7.411
   13   3HD2  LEU   1          3HD2      LEU   1  13.032   7.809  -7.499
   14    H    SER   2           H        SER   2  11.437   7.135  -2.650
   15    HA   SER   2           HA       SER   2  13.869   6.454  -1.047
   16   1HB   SER   2          2HB       SER   2  10.994   6.633  -0.106
   17   2HB   SER   2          1HB       SER   2  12.281   5.878   0.829
   18    HG   SER   2           HG       SER   2  11.866   8.566   0.157
   19    H    VAL   3           H        VAL   3  14.441   4.568  -2.107
   20    HA   VAL   3           HA       VAL   3  12.675   2.700  -3.271
   21    HB   VAL   3           HB       VAL   3  15.072   2.731  -3.778
   22   1HG1  VAL   3          2HG1      VAL   3  15.436   3.026  -1.085
   23   2HG1  VAL   3          1HG1      VAL   3  15.861   1.328  -1.300
   24   3HG1  VAL   3          3HG1      VAL   3  16.713   2.572  -2.213
   25   1HG2  VAL   3          1HG2      VAL   3  13.599   0.552  -3.792
   26   2HG2  VAL   3          3HG2      VAL   3  15.344   0.419  -4.016
   27   3HG2  VAL   3          2HG2      VAL   3  14.628   0.073  -2.442
   28    H    THR   4           H        THR   4  10.987   1.981  -2.016
   29    HA   THR   4           HA       THR   4  11.687   0.276   0.312
   30    HB   THR   4           HB       THR   4   9.508   1.372   1.369
   31    HG1  THR   4           HG1      THR   4   9.051   2.795  -0.254
   32   1HG2  THR   4          1HG2      THR   4  12.379   2.080   1.474
   33   2HG2  THR   4          3HG2      THR   4  11.280   3.281   2.155
   34   3HG2  THR   4          2HG2      THR   4  11.280   1.631   2.779
   35    H    CYS   5           H        CYS   5   9.728  -1.032   0.977
   36    HA   CYS   5           HA       CYS   5   7.790  -2.282   0.535
   37   1HB   CYS   5          2HB       CYS   5   7.596  -1.020  -2.170
   38   2HB   CYS   5          1HB       CYS   5   6.343  -1.876  -1.304
   39    H    LYS   6           H        LYS   6   9.857  -1.916  -2.366
   40    HA   LYS   6           HA       LYS   6  10.955  -3.549  -3.635
   41   1HB   LYS   6          2HB       LYS   6  10.242  -5.540  -1.465
   42   2HB   LYS   6          1HB       LYS   6  11.579  -5.620  -2.608
   43   1HG   LYS   6          2HG       LYS   6  12.611  -3.645  -1.568
   44   2HG   LYS   6          1HG       LYS   6  11.263  -3.525  -0.437
   45   1HD   LYS   6          2HD       LYS   6  11.827  -5.618   0.594
   46   2HD   LYS   6          1HD       LYS   6  13.000  -5.993  -0.670
   47   1HE   LYS   6          2HE       LYS   6  14.301  -3.955   0.027
   48   2HE   LYS   6          1HE       LYS   6  13.192  -3.774   1.387
   49   1HZ   LYS   6          1HZ       LYS   6  14.863  -6.168   0.834
   50   2HZ   LYS   6          3HZ       LYS   6  15.192  -4.990   2.010
   51   3HZ   LYS   6          2HZ       LYS   6  13.813  -5.971   2.154
   52    H    SER   7           H        SER   7  10.303  -6.218  -4.125
   53    HA   SER   7           HA       SER   7   7.829  -5.898  -5.637
   54   1HB   SER   7          2HB       SER   7   8.284  -8.231  -6.366
   55   2HB   SER   7          1HB       SER   7   9.687  -7.188  -6.571
   56    HG   SER   7           HG       SER   7   9.874  -9.368  -5.452
   57    H    GLY   8           H        GLY   8   5.916  -7.195  -5.378
   58   1HA   GLY   8          2HA       GLY   8   4.626  -8.876  -4.140
   59   2HA   GLY   8          1HA       GLY   8   5.633  -8.545  -2.731
   60    H    ASP   9           H        ASP   9   5.346  -5.545  -3.488
   61    HA   ASP   9           HA       ASP   9   2.841  -5.143  -1.964
   62   1HB   ASP   9          2HB       ASP   9   4.775  -3.000  -2.822
   63   2HB   ASP   9          1HB       ASP   9   3.672  -2.999  -1.455
   64    H    PHE  10           H        PHE  10   2.231  -2.571  -2.827
   65    HA   PHE  10           HA       PHE  10   2.095  -2.350  -5.657
   66   1HB   PHE  10          2HB       PHE  10   0.065  -3.269  -6.228
   67   2HB   PHE  10          1HB       PHE  10   0.348  -4.254  -4.802
   68    HD1  PHE  10           HD1      PHE  10  -1.469  -1.289  -6.119
   69    HD2  PHE  10           HD2      PHE  10  -1.020  -3.987  -2.798
   70    HE1  PHE  10           HE1      PHE  10  -3.575  -0.409  -5.131
   71    HE2  PHE  10           HE2      PHE  10  -3.129  -3.105  -1.823
   72    HZ   PHE  10           HZ       PHE  10  -4.404  -1.363  -2.972
   73    H    SER  11           H        SER  11   1.851  -0.187  -6.071
   74    HA   SER  11           HA       SER  11   1.204   1.641  -3.904
   75   1HB   SER  11          2HB       SER  11   2.716   2.330  -5.723
   76   2HB   SER  11          1HB       SER  11   1.425   2.103  -6.899
   77    HG   SER  11           HG       SER  11   1.465   3.931  -4.722
   78    H    CYS  12           H        CYS  12  -0.838   2.532  -3.465
   79    HA   CYS  12           HA       CYS  12  -3.204   1.237  -4.089
   80   1HB   CYS  12          2HB       CYS  12  -2.864   4.199  -3.692
   81   2HB   CYS  12          1HB       CYS  12  -4.360   3.316  -3.495
   82    H    GLY  13           H        GLY  13  -2.211   4.312  -5.651
   83   1HA   GLY  13          2HA       GLY  13  -3.250   3.341  -8.244
   84   2HA   GLY  13          1HA       GLY  13  -4.018   4.779  -7.573
   85    H    GLY  14           H        GLY  14  -1.878   6.110  -6.475
   86   1HA   GLY  14          2HA       GLY  14  -0.190   6.690  -8.878
   87   2HA   GLY  14          1HA       GLY  14  -0.685   7.917  -7.710
   88    H    ARG  15           H        ARG  15   2.027   6.653  -8.611
   89    HA   ARG  15           HA       ARG  15   3.114   5.420  -6.226
   90   1HB   ARG  15          2HB       ARG  15   4.229   6.484  -8.795
   91   2HB   ARG  15          1HB       ARG  15   5.335   6.206  -7.449
   92   1HG   ARG  15          2HG       ARG  15   4.303   3.879  -7.255
   93   2HG   ARG  15          1HG       ARG  15   3.535   4.194  -8.811
   94   1HD   ARG  15          2HD       ARG  15   5.781   4.654  -9.790
   95   2HD   ARG  15          1HD       ARG  15   6.512   4.221  -8.246
   96    HE   ARG  15           HE       ARG  15   4.783   2.210  -9.582
   97   1HH1  ARG  15          1HH2      ARG  15   7.128   2.403  -7.332
   98   2HH1  ARG  15          2HH2      ARG  15   8.245   1.306  -8.074
   99   1HH2  ARG  15          2HH1      ARG  15   6.540   1.196 -11.091
  100   2HH2  ARG  15          1HH1      ARG  15   7.912   0.623 -10.203
  101    H    VAL  16           H        VAL  16   2.859   6.747  -4.418
  102    HA   VAL  16           HA       VAL  16   4.441   9.223  -4.421
  103    HB   VAL  16           HB       VAL  16   1.647   8.973  -3.289
  104   1HG1  VAL  16          3HG1      VAL  16   3.817  10.998  -3.068
  105   2HG1  VAL  16          2HG1      VAL  16   2.192  11.627  -3.341
  106   3HG1  VAL  16          1HG1      VAL  16   2.522  10.613  -1.936
  107   1HG2  VAL  16          1HG2      VAL  16   2.758  10.041  -5.854
  108   2HG2  VAL  16          3HG2      VAL  16   1.226   9.223  -5.552
  109   3HG2  VAL  16          2HG2      VAL  16   1.423  10.917  -5.106
  110    H    ASN  17           H        ASN  17   5.418   6.891  -3.397
  111    HA   ASN  17           HA       ASN  17   6.323   5.953  -1.448
  112   1HB   ASN  17          2HB       ASN  17   6.695   8.548  -1.141
  113   2HB   ASN  17          1HB       ASN  17   5.465   8.372   0.109
  114   1HD2  ASN  17          2HD2      ASN  17   8.827   7.750   1.658
  115   2HD2  ASN  17          1HD2      ASN  17   8.127   9.057   0.831
  116    H    ARG  18           H        ARG  18   4.046   4.781  -1.880
  117    HA   ARG  18           HA       ARG  18   2.946   4.248   0.754
  118   1HB   ARG  18          2HB       ARG  18   1.736   6.369  -0.047
  119   2HB   ARG  18          1HB       ARG  18   0.987   5.343  -1.272
  120   1HG   ARG  18          2HG       ARG  18   0.559   3.816   0.922
  121   2HG   ARG  18          1HG       ARG  18   0.546   5.416   1.664
  122   1HD   ARG  18          2HD       ARG  18  -1.094   4.674  -0.771
  123   2HD   ARG  18          1HD       ARG  18  -1.717   4.653   0.879
  124    HE   ARG  18           HE       ARG  18  -1.350   7.101   0.953
  125   1HH1  ARG  18          1HH2      ARG  18   0.401   8.116  -0.864
  126   2HH1  ARG  18          2HH2      ARG  18  -0.471   8.401  -2.333
  127   1HH2  ARG  18          2HH1      ARG  18  -3.118   6.330  -1.469
  128   2HH2  ARG  18          1HH1      ARG  18  -2.465   7.384  -2.678
  129    H    CYS  19           H        CYS  19   3.234   2.065   0.438
  130    HA   CYS  19           HA       CYS  19   1.944   0.862  -1.963
  131   1HB   CYS  19          2HB       CYS  19   3.576  -1.011  -1.604
  132   2HB   CYS  19          1HB       CYS  19   4.325   0.508  -2.062
  133    H    ILE  20           H        ILE  20   1.291  -1.465  -1.542
  134    HA   ILE  20           HA       ILE  20   0.482  -2.082   1.232
  135    HB   ILE  20           HB       ILE  20  -1.780  -2.724  -0.430
  136   1HG1  ILE  20          2HG1      ILE  20  -0.885   0.170  -0.644
  137   2HG1  ILE  20          1HG1      ILE  20  -1.242  -0.934  -1.961
  138   1HG2  ILE  20          1HG2      ILE  20  -1.349  -1.991   2.132
  139   2HG2  ILE  20          3HG2      ILE  20  -1.981  -0.475   1.487
  140   3HG2  ILE  20          2HG2      ILE  20  -2.937  -1.952   1.367
  141   1HD1  ILE  20          2HD1      ILE  20  -3.614  -1.065  -0.771
  142   2HD1  ILE  20          1HD1      ILE  20  -3.130   0.507  -0.139
  143   3HD1  ILE  20          3HD1      ILE  20  -3.238   0.251  -1.882
  144    HA   PRO  21           HA       PRO  21   1.352  -6.165  -0.212
  145   1HB   PRO  21          2HB       PRO  21  -0.568  -7.714   1.005
  146   2HB   PRO  21          1HB       PRO  21   0.815  -7.040   1.855
  147   1HG   PRO  21          2HG       PRO  21  -1.993  -6.145   1.891
  148   2HG   PRO  21          1HG       PRO  21  -0.785  -6.024   3.165
  149   1HD   PRO  21          2HD       PRO  21  -1.615  -3.939   1.517
  150   2HD   PRO  21          1HD       PRO  21  -0.107  -3.974   2.434
  151    H    GLN  22           H        GLN  22   0.439  -8.071  -1.442
  152    HA   GLN  22           HA       GLN  22  -1.292  -7.203  -3.573
  153   1HB   GLN  22          2HB       GLN  22   0.402  -9.416  -3.050
  154   2HB   GLN  22          1HB       GLN  22  -1.186 -10.049  -3.453
  155   1HG   GLN  22          2HG       GLN  22  -0.527  -9.772  -5.610
  156   2HG   GLN  22          1HG       GLN  22  -0.902  -8.073  -5.331
  157   1HE2  GLN  22          2HE2      GLN  22   2.439  -7.100  -5.789
  158   2HE2  GLN  22          1HE2      GLN  22   0.794  -6.684  -5.822
  159    H    PHE  23           H        PHE  23  -1.800  -8.764  -0.497
  160    HA   PHE  23           HA       PHE  23  -4.423  -9.813  -1.053
  161   1HB   PHE  23          2HB       PHE  23  -2.803 -10.420   0.863
  162   2HB   PHE  23          1HB       PHE  23  -3.479  -9.004   1.649
  163    HD1  PHE  23           HD2      PHE  23  -5.884  -8.885   2.223
  164    HD2  PHE  23           HD1      PHE  23  -4.128 -12.422   0.532
  165    HE1  PHE  23           HE2      PHE  23  -7.881 -10.195   2.889
  166    HE2  PHE  23           HE1      PHE  23  -6.126 -13.732   1.198
  167    HZ   PHE  23           HZ       PHE  23  -8.002 -12.618   2.377
  168    H    TRP  24           H        TRP  24  -3.207  -6.634  -0.287
  169    HA   TRP  24           HA       TRP  24  -5.886  -5.691   0.517
  170   1HB   TRP  24          2HB       TRP  24  -3.149  -4.538   0.498
  171   2HB   TRP  24          1HB       TRP  24  -4.516  -3.443   0.567
  172    HD1  TRP  24           HD1      TRP  24  -3.859  -6.860   2.250
  173    HE1  TRP  24           HE1      TRP  24  -4.321  -6.649   4.772
  174    HE3  TRP  24           HE3      TRP  24  -4.983  -1.843   2.565
  175    HZ2  TRP  24           HZ2      TRP  24  -5.064  -4.669   6.665
  176    HZ3  TRP  24           HZ3      TRP  24  -5.577  -0.865   4.763
  177    HH2  TRP  24           HH2      TRP  24  -5.603  -2.256   6.803
  178    H    ARG  25           H        ARG  25  -5.093  -6.638  -2.308
  179    HA   ARG  25           HA       ARG  25  -5.682  -4.161  -3.849
  180   1HB   ARG  25          2HB       ARG  25  -4.415  -6.777  -4.442
  181   2HB   ARG  25          1HB       ARG  25  -5.505  -6.195  -5.700
  182   1HG   ARG  25          2HG       ARG  25  -3.374  -4.444  -4.474
  183   2HG   ARG  25          1HG       ARG  25  -3.069  -5.443  -5.894
  184   1HD   ARG  25          2HD       ARG  25  -5.258  -3.355  -5.675
  185   2HD   ARG  25          1HD       ARG  25  -3.721  -3.126  -6.511
  186    HE   ARG  25           HE       ARG  25  -5.963  -4.805  -7.443
  187   1HH1  ARG  25          2HH1      ARG  25  -3.259  -6.194  -7.740
  188   2HH1  ARG  25          1HH1      ARG  25  -2.812  -5.710  -9.342
  189   1HH2  ARG  25          1HH2      ARG  25  -5.142  -3.148  -9.508
  190   2HH2  ARG  25          2HH2      ARG  25  -3.876  -3.988 -10.342
  191    H    CYS  26           H        CYS  26  -7.684  -3.940  -4.856
  192    HA   CYS  26           HA       CYS  26  -9.872  -4.488  -5.592
  193   1HB   CYS  26          2HB       CYS  26  -9.689  -7.142  -4.131
  194   2HB   CYS  26          1HB       CYS  26 -10.843  -6.667  -5.372
  195    H    ASP  27           H        ASP  27  -9.065  -5.758  -2.348
  196    HA   ASP  27           HA       ASP  27 -11.388  -4.351  -1.212
  197   1HB   ASP  27          2HB       ASP  27  -9.397  -6.320  -0.129
  198   2HB   ASP  27          1HB       ASP  27 -10.554  -5.497   0.903
  199    H    GLY  28           H        GLY  28  -8.100  -4.845   0.008
  200   1HA   GLY  28          2HA       GLY  28  -6.438  -3.354   0.660
  201   2HA   GLY  28          1HA       GLY  28  -7.242  -2.120  -0.315
  202    H    GLN  29           H        GLN  29  -9.580  -3.253   1.807
  203    HA   GLN  29           HA       GLN  29 -10.596  -2.115   3.609
  204   1HB   GLN  29          2HB       GLN  29  -7.769  -1.592   4.582
  205   2HB   GLN  29          1HB       GLN  29  -9.211  -1.848   5.545
  206   1HG   GLN  29          2HG       GLN  29  -9.013  -4.147   4.007
  207   2HG   GLN  29          1HG       GLN  29  -7.355  -3.769   4.451
  208   1HE2  GLN  29          2HE2      GLN  29  -9.165  -5.762   7.176
  209   2HE2  GLN  29          1HE2      GLN  29  -9.115  -5.987   5.493
  210    H    VAL  30           H        VAL  30  -8.290   0.212   4.521
  211    HA   VAL  30           HA       VAL  30  -8.681   1.880   2.208
  212    HB   VAL  30           HB       VAL  30 -10.069   2.419   4.810
  213   1HG1  VAL  30          3HG1      VAL  30  -8.805   4.403   2.998
  214   2HG1  VAL  30          2HG1      VAL  30 -10.509   4.703   3.342
  215   3HG1  VAL  30          1HG1      VAL  30  -9.347   4.599   4.665
  216   1HG2  VAL  30          2HG2      VAL  30 -10.684   2.250   1.869
  217   2HG2  VAL  30          1HG2      VAL  30 -11.411   1.351   3.200
  218   3HG2  VAL  30          3HG2      VAL  30 -11.804   3.055   2.969
  219    H    ASP  31           H        ASP  31  -6.403   1.205   2.473
  220    HA   ASP  31           HA       ASP  31  -4.857   2.832   4.409
  221   1HB   ASP  31          2HB       ASP  31  -4.339   0.395   4.133
  222   2HB   ASP  31          1HB       ASP  31  -3.909   0.739   2.475
  223    H    CYS  32           H        CYS  32  -6.320   3.866   1.945
  224    HA   CYS  32           HA       CYS  32  -3.936   5.125   0.660
  225   1HB   CYS  32          2HB       CYS  32  -6.424   4.196  -0.804
  226   2HB   CYS  32          1HB       CYS  32  -4.968   4.877  -1.529
  227    H    ASP  33           H        ASP  33  -4.873   7.042  -0.813
  228    HA   ASP  33           HA       ASP  33  -6.041   8.944   0.981
  229   1HB   ASP  33          2HB       ASP  33  -5.529   8.924  -1.992
  230   2HB   ASP  33          1HB       ASP  33  -6.348  10.282  -1.219
  231    H    ASN  34           H        ASN  34  -7.515   8.193  -2.180
  232    HA   ASN  34           HA       ASN  34 -10.181   8.336  -0.857
  233   1HB   ASN  34          2HB       ASN  34 -11.032   8.586  -3.205
  234   2HB   ASN  34          1HB       ASN  34  -9.902   9.858  -2.739
  235   1HD2  ASN  34          2HD2      ASN  34  -7.497   8.967  -5.165
  236   2HD2  ASN  34          1HD2      ASN  34  -7.922  10.014  -3.899
  237    H    GLY  35           H        GLY  35  -8.641   5.973  -0.501
  238   1HA   GLY  35          2HA       GLY  35  -8.895   3.644  -0.637
  239   2HA   GLY  35          1HA       GLY  35 -10.523   3.957  -1.242
  240    H    SER  36           H        SER  36  -7.294   4.712  -2.577
  241    HA   SER  36           HA       SER  36  -8.187   3.837  -5.228
  242   1HB   SER  36          2HB       SER  36  -5.319   4.431  -4.812
  243   2HB   SER  36          1HB       SER  36  -6.424   5.017  -6.049
  244    HG   SER  36           HG       SER  36  -6.808   6.703  -4.860
  245    H    ASP  37           H        ASP  37  -7.004   2.158  -2.563
  246    HA   ASP  37           HA       ASP  37  -5.045   0.421  -3.543
  247   1HB   ASP  37          2HB       ASP  37  -6.105  -1.286  -1.952
  248   2HB   ASP  37          1HB       ASP  37  -5.620   0.229  -1.240
  249    H    GLU  38           H        GLU  38  -8.438   0.586  -4.338
  250    HA   GLU  38           HA       GLU  38  -8.094  -1.826  -6.074
  251   1HB   GLU  38          2HB       GLU  38 -10.577  -2.108  -5.870
  252   2HB   GLU  38          1HB       GLU  38  -9.719  -2.301  -4.343
  253   1HG   GLU  38          2HG       GLU  38 -10.438  -0.225  -3.521
  254   2HG   GLU  38          1HG       GLU  38 -10.811   0.392  -5.129
  255    H    GLN  39           H        GLN  39  -7.179   0.190  -7.365
  256    HA   GLN  39           HA       GLN  39  -9.223   1.863  -8.617
  257   1HB   GLN  39          2HB       GLN  39  -6.709   2.393  -8.107
  258   2HB   GLN  39          1HB       GLN  39  -6.458   1.587  -9.646
  259   1HG   GLN  39          2HG       GLN  39  -8.425   3.850  -9.283
  260   2HG   GLN  39          1HG       GLN  39  -6.760   4.096  -9.811
  261   1HE2  GLN  39          2HE2      GLN  39  -9.513   2.779 -12.464
  262   2HE2  GLN  39          1HE2      GLN  39  -9.931   3.193 -10.871
  263    H    GLY  40           H        GLY  40  -6.900  -0.572  -9.825
  264   1HA   GLY  40          2HA       GLY  40  -8.363  -0.815 -12.354
  265   2HA   GLY  40          1HA       GLY  40  -6.938  -1.744 -11.887
  266    H    CYS  41           HN       CYS  41  -7.746  -2.922  -9.531
  267    HA   CYS  41           HA       CYS  41  -9.396  -5.087 -10.467
  268   1HB   CYS  41          2HB       CYS  41  -7.639  -5.279  -8.678
  269   2HB   CYS  41          1HB       CYS  41  -8.708  -4.383  -7.598
   
  No H/Q in entry =         269
  Start of MODEL           3
 Raw file had  276 H/Q atoms
  Start of MODEL    3
    1   1H    LEU   1          3H        LEU   1  15.740   5.455  -8.924
    2   2H    LEU   1          2H        LEU   1  16.252   6.797  -9.832
    3   3H    LEU   1          1H        LEU   1  17.363   5.946  -8.869
    4    HA   LEU   1           HA       LEU   1  16.933   7.783  -7.572
    5   1HB   LEU   1          2HB       LEU   1  14.679   7.985  -9.216
    6   2HB   LEU   1          1HB       LEU   1  14.004   7.767  -7.605
    7    HG   LEU   1           HG       LEU   1  14.344  10.156  -8.092
    8   1HD1  LEU   1          3HD1      LEU   1  15.780   8.752  -5.913
    9   2HD1  LEU   1          2HD1      LEU   1  16.268  10.424  -6.183
   10   3HD1  LEU   1          1HD1      LEU   1  14.584  10.043  -5.828
   11   1HD2  LEU   1          2HD2      LEU   1  16.458   9.459  -9.563
   12   2HD2  LEU   1          1HD2      LEU   1  16.337  11.060  -8.834
   13   3HD2  LEU   1          3HD2      LEU   1  17.314   9.812  -8.062
   14    H    SER   2           H        SER   2  17.324   5.167  -6.824
   15    HA   SER   2           HA       SER   2  17.029   3.695  -5.021
   16   1HB   SER   2          2HB       SER   2  15.922   6.291  -4.015
   17   2HB   SER   2          1HB       SER   2  15.665   4.837  -3.055
   18    HG   SER   2           HG       SER   2  17.603   5.401  -2.371
   19    H    VAL   3           H        VAL   3  15.676   2.218  -6.142
   20    HA   VAL   3           HA       VAL   3  12.917   2.522  -6.628
   21    HB   VAL   3           HB       VAL   3  14.288   0.762  -7.668
   22   1HG1  VAL   3          2HG1      VAL   3  14.387  -0.303  -4.839
   23   2HG1  VAL   3          1HG1      VAL   3  14.757  -1.299  -6.247
   24   3HG1  VAL   3          3HG1      VAL   3  15.745   0.117  -5.884
   25   1HG2  VAL   3          2HG2      VAL   3  11.779   0.506  -7.396
   26   2HG2  VAL   3          1HG2      VAL   3  12.658  -1.012  -7.586
   27   3HG2  VAL   3          3HG2      VAL   3  12.106  -0.508  -5.989
   28    H    THR   4           H        THR   4  11.069   1.657  -5.474
   29    HA   THR   4           HA       THR   4  11.533   0.949  -2.621
   30    HB   THR   4           HB       THR   4   9.512   2.485  -2.110
   31    HG1  THR   4           HG1      THR   4   8.847   3.086  -4.085
   32   1HG2  THR   4          3HG2      THR   4  12.182   3.673  -2.908
   33   2HG2  THR   4          2HG2      THR   4  11.003   4.439  -1.843
   34   3HG2  THR   4          1HG2      THR   4  11.802   2.946  -1.348
   35    H    CYS   5           H        CYS   5   9.995  -0.479  -1.803
   36    HA   CYS   5           HA       CYS   5   8.320  -2.109  -1.882
   37   1HB   CYS   5          2HB       CYS   5   7.198   0.197  -3.328
   38   2HB   CYS   5          1HB       CYS   5   6.375  -1.337  -3.577
   39    H    LYS   6           H        LYS   6   9.903  -3.518  -3.001
   40    HA   LYS   6           HA       LYS   6   8.969  -4.157  -5.756
   41   1HB   LYS   6          2HB       LYS   6  11.340  -4.569  -6.431
   42   2HB   LYS   6          1HB       LYS   6  11.019  -2.875  -6.060
   43   1HG   LYS   6          2HG       LYS   6  11.786  -3.552  -3.637
   44   2HG   LYS   6          1HG       LYS   6  12.564  -4.900  -4.467
   45   1HD   LYS   6          2HD       LYS   6  13.345  -2.885  -6.083
   46   2HD   LYS   6          1HD       LYS   6  13.195  -1.995  -4.567
   47   1HE   LYS   6          2HE       LYS   6  14.636  -4.630  -4.597
   48   2HE   LYS   6          1HE       LYS   6  15.467  -3.177  -5.150
   49   1HZ   LYS   6          2HZ       LYS   6  14.060  -3.355  -2.547
   50   2HZ   LYS   6          1HZ       LYS   6  15.715  -3.688  -2.734
   51   3HZ   LYS   6          3HZ       LYS   6  15.121  -2.136  -3.073
   52    H    SER   7           H        SER   7   7.886  -5.677  -4.019
   53    HA   SER   7           HA       SER   7   9.260  -8.258  -4.229
   54   1HB   SER   7          2HB       SER   7   9.116  -6.745  -1.684
   55   2HB   SER   7          1HB       SER   7   8.643  -8.439  -1.586
   56    HG   SER   7           HG       SER   7  11.093  -7.295  -2.397
   57    H    GLY   8           H        GLY   8   6.739  -7.037  -2.016
   58   1HA   GLY   8          2HA       GLY   8   4.678  -8.458  -3.618
   59   2HA   GLY   8          1HA       GLY   8   4.861  -8.905  -1.921
   60    H    ASP   9           H        ASP   9   5.420  -5.594  -2.882
   61    HA   ASP   9           HA       ASP   9   3.115  -4.742  -1.242
   62   1HB   ASP   9          2HB       ASP   9   5.026  -2.889  -2.646
   63   2HB   ASP   9          1HB       ASP   9   4.153  -2.638  -1.146
   64    H    PHE  10           H        PHE  10   2.438  -2.369  -2.383
   65    HA   PHE  10           HA       PHE  10   2.139  -2.402  -5.197
   66   1HB   PHE  10          2HB       PHE  10   0.238  -3.574  -5.619
   67   2HB   PHE  10          1HB       PHE  10   0.445  -4.261  -4.018
   68    HD1  PHE  10           HD1      PHE  10  -1.172  -1.382  -5.819
   69    HD2  PHE  10           HD2      PHE  10  -1.213  -3.936  -2.363
   70    HE1  PHE  10           HE1      PHE  10  -3.347  -0.389  -5.118
   71    HE2  PHE  10           HE2      PHE  10  -3.384  -2.949  -1.672
   72    HZ   PHE  10           HZ       PHE  10  -4.452  -1.212  -3.034
   73    H    SER  11           H        SER  11   1.960  -0.275  -5.672
   74    HA   SER  11           HA       SER  11   1.244   1.662  -3.638
   75   1HB   SER  11          2HB       SER  11   1.180   3.207  -5.744
   76   2HB   SER  11          1HB       SER  11   2.724   2.517  -5.252
   77    HG   SER  11           HG       SER  11   1.130   1.979  -7.457
   78    H    CYS  12           H        CYS  12  -0.786   2.550  -3.269
   79    HA   CYS  12           HA       CYS  12  -3.146   1.237  -3.873
   80   1HB   CYS  12          2HB       CYS  12  -2.820   4.204  -3.550
   81   2HB   CYS  12          1HB       CYS  12  -4.309   3.314  -3.319
   82    H    GLY  13           H        GLY  13  -2.357   4.349  -5.479
   83   1HA   GLY  13          2HA       GLY  13  -3.998   3.484  -7.800
   84   2HA   GLY  13          1HA       GLY  13  -3.468   5.136  -7.479
   85    H    GLY  14           H        GLY  14  -1.317   5.740  -8.044
   86   1HA   GLY  14          2HA       GLY  14   0.483   3.780  -9.271
   87   2HA   GLY  14          1HA       GLY  14  -0.227   4.919 -10.418
   88    H    ARG  15           H        ARG  15   0.531   5.755  -7.086
   89    HA   ARG  15           HA       ARG  15   2.787   7.456  -8.077
   90   1HB   ARG  15          2HB       ARG  15   0.384   8.159  -6.472
   91   2HB   ARG  15          1HB       ARG  15   1.908   8.866  -5.938
   92   1HG   ARG  15          2HG       ARG  15   1.155   8.952  -8.848
   93   2HG   ARG  15          1HG       ARG  15   0.481  10.135  -7.727
   94   1HD   ARG  15          2HD       ARG  15   2.656  10.930  -7.115
   95   2HD   ARG  15          1HD       ARG  15   3.450   9.582  -7.929
   96    HE   ARG  15           HE       ARG  15   2.051  10.833  -9.962
   97   1HH1  ARG  15          1HH2      ARG  15   2.496  13.257  -8.122
   98   2HH1  ARG  15          2HH2      ARG  15   3.955  13.906  -8.794
   99   1HH2  ARG  15          2HH1      ARG  15   4.713  11.041 -10.596
  100   2HH2  ARG  15          1HH1      ARG  15   5.209  12.652 -10.196
  101    H    VAL  16           H        VAL  16   4.389   7.953  -6.363
  102    HA   VAL  16           HA       VAL  16   4.810   5.639  -4.637
  103    HB   VAL  16           HB       VAL  16   6.668   6.456  -6.010
  104   1HG1  VAL  16          3HG1      VAL  16   5.883   9.032  -4.760
  105   2HG1  VAL  16          2HG1      VAL  16   7.614   8.760  -4.956
  106   3HG1  VAL  16          1HG1      VAL  16   6.550   8.709  -6.360
  107   1HG2  VAL  16          2HG2      VAL  16   6.852   5.688  -3.430
  108   2HG2  VAL  16          1HG2      VAL  16   8.265   6.121  -4.390
  109   3HG2  VAL  16          3HG2      VAL  16   7.549   7.302  -3.294
  110    H    ASN  17           H        ASN  17   2.687   6.786  -3.561
  111    HA   ASN  17           HA       ASN  17   3.637   8.680  -1.463
  112   1HB   ASN  17          2HB       ASN  17   1.355   8.712  -3.080
  113   2HB   ASN  17          1HB       ASN  17   0.756   8.162  -1.516
  114   1HD2  ASN  17          2HD2      ASN  17   0.963  11.371  -0.093
  115   2HD2  ASN  17          1HD2      ASN  17   0.342   9.793  -0.009
  116    H    ARG  18           H        ARG  18   1.837   5.634  -1.911
  117    HA   ARG  18           HA       ARG  18   2.640   4.867   0.844
  118   1HB   ARG  18          2HB       ARG  18   0.120   5.817   0.423
  119   2HB   ARG  18          1HB       ARG  18  -0.126   4.099   0.100
  120   1HG   ARG  18          2HG       ARG  18   1.401   3.964   2.353
  121   2HG   ARG  18          1HG       ARG  18   0.532   5.472   2.644
  122   1HD   ARG  18          2HD       ARG  18  -1.611   4.296   2.189
  123   2HD   ARG  18          1HD       ARG  18  -0.720   2.787   1.990
  124    HE   ARG  18           HE       ARG  18  -0.450   2.689   4.344
  125   1HH1  ARG  18          2HH1      ARG  18  -2.834   4.840   3.713
  126   2HH1  ARG  18          1HH1      ARG  18  -2.599   5.841   5.106
  127   1HH2  ARG  18          1HH2      ARG  18   0.428   4.389   5.967
  128   2HH2  ARG  18          2HH2      ARG  18  -0.751   5.588   6.382
  129    H    CYS  19           H        CYS  19   1.727   2.435   1.133
  130    HA   CYS  19           HA       CYS  19   1.912   0.909  -1.377
  131   1HB   CYS  19          2HB       CYS  19   4.195   1.380   0.180
  132   2HB   CYS  19          1HB       CYS  19   3.708  -0.267   0.549
  133    H    ILE  20           H        ILE  20   1.261  -1.340  -1.076
  134    HA   ILE  20           HA       ILE  20   0.256  -2.136   1.579
  135    HB   ILE  20           HB       ILE  20  -1.895  -2.767  -0.210
  136   1HG1  ILE  20          2HG1      ILE  20  -1.090   0.164  -0.287
  137   2HG1  ILE  20          1HG1      ILE  20  -1.316  -0.913  -1.659
  138   1HG2  ILE  20          1HG2      ILE  20  -1.626  -2.136   2.390
  139   2HG2  ILE  20          3HG2      ILE  20  -2.207  -0.584   1.786
  140   3HG2  ILE  20          2HG2      ILE  20  -3.172  -2.040   1.545
  141   1HD1  ILE  20          2HD1      ILE  20  -3.745  -1.179  -0.699
  142   2HD1  ILE  20          1HD1      ILE  20  -3.384   0.339   0.124
  143   3HD1  ILE  20          3HD1      ILE  20  -3.337   0.256  -1.638
  144    HA   PRO  21           HA       PRO  21   1.364  -6.116   0.048
  145   1HB   PRO  21          2HB       PRO  21  -0.517  -7.759   1.208
  146   2HB   PRO  21          1HB       PRO  21   0.836  -7.053   2.083
  147   1HG   PRO  21          2HG       PRO  21  -2.008  -6.272   2.133
  148   2HG   PRO  21          1HG       PRO  21  -0.796  -6.105   3.397
  149   1HD   PRO  21          2HD       PRO  21  -1.729  -4.051   1.750
  150   2HD   PRO  21          1HD       PRO  21  -0.238  -4.016   2.694
  151    H    GLN  22           H        GLN  22   0.682  -7.932  -1.338
  152    HA   GLN  22           HA       GLN  22  -0.955  -7.179  -3.526
  153   1HB   GLN  22          2HB       GLN  22   0.570  -9.479  -2.702
  154   2HB   GLN  22          1HB       GLN  22  -0.921  -9.977  -3.487
  155   1HG   GLN  22          2HG       GLN  22  -0.396  -8.754  -5.469
  156   2HG   GLN  22          1HG       GLN  22   0.919  -7.892  -4.672
  157   1HE2  GLN  22          2HE2      GLN  22   3.078 -10.316  -6.091
  158   2HE2  GLN  22          1HE2      GLN  22   2.623  -8.681  -6.049
  159    H    PHE  23           H        PHE  23  -1.736  -8.786  -0.512
  160    HA   PHE  23           HA       PHE  23  -4.300  -9.811  -1.300
  161   1HB   PHE  23          2HB       PHE  23  -2.956 -10.455   0.764
  162   2HB   PHE  23          1HB       PHE  23  -3.567  -8.964   1.465
  163    HD1  PHE  23           HD1      PHE  23  -4.654 -12.145  -0.129
  164    HD2  PHE  23           HD2      PHE  23  -5.751  -8.829   2.370
  165    HE1  PHE  23           HE1      PHE  23  -6.798 -13.265   0.415
  166    HE2  PHE  23           HE2      PHE  23  -7.896  -9.949   2.915
  167    HZ   PHE  23           HZ       PHE  23  -8.418 -12.167   1.938
  168    H    TRP  24           H        TRP  24  -3.239  -6.721   0.102
  169    HA   TRP  24           HA       TRP  24  -5.952  -5.728   0.374
  170   1HB   TRP  24          2HB       TRP  24  -3.229  -4.568   0.629
  171   2HB   TRP  24          1HB       TRP  24  -4.617  -3.496   0.602
  172    HD1  TRP  24           HD1      TRP  24  -3.851  -6.882   2.323
  173    HE1  TRP  24           HE1      TRP  24  -4.629  -6.750   4.774
  174    HE3  TRP  24           HE3      TRP  24  -5.551  -2.035   2.484
  175    HZ2  TRP  24           HZ2      TRP  24  -5.812  -4.875   6.561
  176    HZ3  TRP  24           HZ3      TRP  24  -6.513  -1.137   4.581
  177    HH2  TRP  24           HH2      TRP  24  -6.633  -2.537   6.616
  178    H    ARG  25           H        ARG  25  -4.044  -6.277  -2.355
  179    HA   ARG  25           HA       ARG  25  -4.780  -3.924  -3.895
  180   1HB   ARG  25          2HB       ARG  25  -2.849  -5.354  -4.535
  181   2HB   ARG  25          1HB       ARG  25  -3.950  -6.701  -4.825
  182   1HG   ARG  25          2HG       ARG  25  -3.531  -5.714  -6.967
  183   2HG   ARG  25          1HG       ARG  25  -5.151  -5.198  -6.499
  184   1HD   ARG  25          2HD       ARG  25  -4.154  -3.079  -5.600
  185   2HD   ARG  25          1HD       ARG  25  -2.597  -3.589  -6.251
  186    HE   ARG  25           HE       ARG  25  -4.431  -3.715  -8.387
  187   1HH1  ARG  25          2HH1      ARG  25  -5.267  -1.231  -6.674
  188   2HH1  ARG  25          1HH1      ARG  25  -4.466   0.017  -7.567
  189   1HH2  ARG  25          1HH2      ARG  25  -2.455  -2.177  -9.346
  190   2HH2  ARG  25          2HH2      ARG  25  -2.871  -0.517  -9.076
  191    H    CYS  26           H        CYS  26  -6.571  -3.719  -5.266
  192    HA   CYS  26           HA       CYS  26  -8.620  -4.250  -6.309
  193   1HB   CYS  26          2HB       CYS  26  -8.674  -6.910  -4.854
  194   2HB   CYS  26          1HB       CYS  26  -9.600  -6.430  -6.272
  195    H    ASP  27           H        ASP  27  -8.441  -5.552  -2.961
  196    HA   ASP  27           HA       ASP  27 -10.932  -4.104  -2.325
  197   1HB   ASP  27          2HB       ASP  27  -9.314  -6.192  -0.912
  198   2HB   ASP  27          1HB       ASP  27 -10.622  -5.335  -0.113
  199    H    GLY  28           H        GLY  28  -8.072  -4.744  -0.345
  200   1HA   GLY  28          2HA       GLY  28  -6.558  -3.297   0.700
  201   2HA   GLY  28          1HA       GLY  28  -7.137  -2.015  -0.366
  202    H    GLN  29           H        GLN  29  -9.897  -3.164   1.097
  203    HA   GLN  29           HA       GLN  29 -11.273  -2.072   2.682
  204   1HB   GLN  29          2HB       GLN  29  -8.682  -1.790   4.258
  205   2HB   GLN  29          1HB       GLN  29 -10.314  -1.868   4.902
  206   1HG   GLN  29          2HG       GLN  29 -10.170  -4.173   3.445
  207   2HG   GLN  29          1HG       GLN  29  -8.527  -3.997   4.049
  208   1HE2  GLN  29          2HE2      GLN  29 -10.719  -5.757   6.613
  209   2HE2  GLN  29          1HE2      GLN  29 -10.467  -6.037   4.957
  210    H    VAL  30           H        VAL  30  -8.895   0.039   4.065
  211    HA   VAL  30           HA       VAL  30  -8.878   1.869   1.875
  212    HB   VAL  30           HB       VAL  30 -10.638   2.330   4.250
  213   1HG1  VAL  30          3HG1      VAL  30  -8.986   4.380   2.826
  214   2HG1  VAL  30          2HG1      VAL  30 -10.679   4.784   3.110
  215   3HG1  VAL  30          1HG1      VAL  30  -9.623   4.409   4.470
  216   1HG2  VAL  30          1HG2      VAL  30 -10.732   2.426   1.259
  217   2HG2  VAL  30          3HG2      VAL  30 -11.832   1.634   2.386
  218   3HG2  VAL  30          2HG2      VAL  30 -11.894   3.384   2.176
  219    H    ASP  31           H        ASP  31  -6.695   1.120   2.352
  220    HA   ASP  31           HA       ASP  31  -5.386   2.493   4.642
  221   1HB   ASP  31          2HB       ASP  31  -5.001   0.030   4.321
  222   2HB   ASP  31          1HB       ASP  31  -4.257   0.421   2.789
  223    H    CYS  32           H        CYS  32  -6.356   3.827   2.185
  224    HA   CYS  32           HA       CYS  32  -3.711   4.804   1.183
  225   1HB   CYS  32          2HB       CYS  32  -6.230   4.352  -0.444
  226   2HB   CYS  32          1HB       CYS  32  -4.717   5.015  -1.063
  227    H    ASP  33           H        ASP  33  -4.046   6.994   0.013
  228    HA   ASP  33           HA       ASP  33  -4.986   8.906   1.874
  229   1HB   ASP  33          2HB       ASP  33  -4.734  10.544   0.024
  230   2HB   ASP  33          1HB       ASP  33  -3.347   9.462   0.142
  231    H    ASN  34           H        ASN  34  -6.619   7.520  -0.966
  232    HA   ASN  34           HA       ASN  34  -9.175   8.579   0.129
  233   1HB   ASN  34          2HB       ASN  34  -9.910   9.267  -2.123
  234   2HB   ASN  34          1HB       ASN  34  -8.471  10.156  -1.631
  235   1HD2  ASN  34          2HD2      ASN  34  -8.180   8.591  -5.139
  236   2HD2  ASN  34          1HD2      ASN  34  -9.496   9.379  -4.409
  237    H    GLY  35           H        GLY  35  -7.919   5.914   0.096
  238   1HA   GLY  35          2HA       GLY  35  -8.663   3.706  -0.188
  239   2HA   GLY  35          1HA       GLY  35 -10.217   4.375  -0.691
  240    H    SER  36           H        SER  36  -7.022   4.876  -2.180
  241    HA   SER  36           HA       SER  36  -8.149   4.248  -4.806
  242   1HB   SER  36          2HB       SER  36  -5.266   4.413  -4.871
  243   2HB   SER  36          1HB       SER  36  -6.454   5.508  -5.568
  244    HG   SER  36           HG       SER  36  -4.937   6.294  -3.840
  245    H    ASP  37           H        ASP  37  -6.776   2.378  -2.298
  246    HA   ASP  37           HA       ASP  37  -5.233   0.444  -3.588
  247   1HB   ASP  37          2HB       ASP  37  -6.181  -1.142  -1.829
  248   2HB   ASP  37          1HB       ASP  37  -5.456   0.319  -1.219
  249    H    GLU  38           H        GLU  38  -8.670   0.992  -3.799
  250    HA   GLU  38           HA       GLU  38  -9.074  -1.582  -5.232
  251   1HB   GLU  38          2HB       GLU  38 -10.725  -0.866  -3.489
  252   2HB   GLU  38          1HB       GLU  38 -11.105   0.544  -4.479
  253   1HG   GLU  38          2HG       GLU  38 -12.249  -0.688  -6.040
  254   2HG   GLU  38          1HG       GLU  38 -11.207  -2.096  -5.846
  255    H    GLN  39           H        GLN  39  -7.428  -0.095  -6.711
  256    HA   GLN  39           HA       GLN  39  -8.975   1.570  -8.590
  257   1HB   GLN  39          2HB       GLN  39  -6.531   1.916  -7.586
  258   2HB   GLN  39          1HB       GLN  39  -6.122   0.949  -8.991
  259   1HG   GLN  39          2HG       GLN  39  -7.901   3.375  -9.189
  260   2HG   GLN  39          1HG       GLN  39  -6.147   3.487  -9.339
  261   1HE2  GLN  39          2HE2      GLN  39  -6.061   2.098 -12.596
  262   2HE2  GLN  39          1HE2      GLN  39  -5.153   2.635 -11.265
  263    H    GLY  40           H        GLY  40  -9.974  -0.902  -8.833
  264   1HA   GLY  40          2HA       GLY  40 -10.481  -2.389 -10.607
  265   2HA   GLY  40          1HA       GLY  40  -9.139  -1.702 -11.523
  266    H    CYS  41           HN       CYS  41 -10.107  -4.531 -10.327
  267    HA   CYS  41           HA       CYS  41  -7.588  -5.398  -9.064
  268   1HB   CYS  41          2HB       CYS  41  -9.942  -6.220  -8.427
  269   2HB   CYS  41          1HB       CYS  41  -9.882  -7.173  -9.909
   
  No H/Q in entry =         269
  Start of MODEL           4
 Raw file had  276 H/Q atoms
  Start of MODEL    4
    1   1H    LEU   1          2H        LEU   1  16.343   1.335 -11.633
    2   2H    LEU   1          1H        LEU   1  17.195   2.805 -11.649
    3   3H    LEU   1          3H        LEU   1  16.282   2.371 -10.287
    4    HA   LEU   1           HA       LEU   1  14.990   3.960 -11.410
    5   1HB   LEU   1          2HB       LEU   1  15.886   2.402 -13.825
    6   2HB   LEU   1          1HB       LEU   1  14.421   3.381 -13.896
    7    HG   LEU   1           HG       LEU   1  16.837   4.661 -12.716
    8   1HD1  LEU   1          3HD1      LEU   1  16.506   4.036 -15.663
    9   2HD1  LEU   1          2HD1      LEU   1  17.586   5.288 -15.048
   10   3HD1  LEU   1          1HD1      LEU   1  17.862   3.599 -14.625
   11   1HD2  LEU   1          3HD2      LEU   1  14.360   5.390 -14.206
   12   2HD2  LEU   1          2HD2      LEU   1  15.116   6.186 -12.826
   13   3HD2  LEU   1          1HD2      LEU   1  15.767   6.426 -14.447
   14    H    SER   2           H        SER   2  13.803   2.574  -9.773
   15    HA   SER   2           HA       SER   2  11.434   1.433 -10.994
   16   1HB   SER   2          2HB       SER   2  13.489  -0.398  -9.752
   17   2HB   SER   2          1HB       SER   2  11.784  -0.833  -9.819
   18    HG   SER   2           HG       SER   2  13.143  -1.520 -11.638
   19    H    VAL   3           H        VAL   3   9.749   1.523  -9.535
   20    HA   VAL   3           HA       VAL   3  10.002   2.949  -7.119
   21    HB   VAL   3           HB       VAL   3   7.879   2.715  -8.352
   22   1HG1  VAL   3          2HG1      VAL   3   8.481   0.070  -8.533
   23   2HG1  VAL   3          1HG1      VAL   3   7.315   0.038  -7.211
   24   3HG1  VAL   3          3HG1      VAL   3   6.859   0.717  -8.773
   25   1HG2  VAL   3          1HG2      VAL   3   8.121   3.011  -5.721
   26   2HG2  VAL   3          3HG2      VAL   3   6.534   2.824  -6.466
   27   3HG2  VAL   3          2HG2      VAL   3   7.315   1.442  -5.700
   28    H    THR   4           H        THR   4  10.446  -0.439  -7.780
   29    HA   THR   4           HA       THR   4  10.968  -2.257  -6.427
   30    HB   THR   4           HB       THR   4  12.202  -1.299  -4.183
   31    HG1  THR   4           HG1      THR   4  13.357   0.552  -4.955
   32   1HG2  THR   4          3HG2      THR   4  13.251  -1.626  -6.999
   33   2HG2  THR   4          2HG2      THR   4  14.299  -1.403  -5.597
   34   3HG2  THR   4          1HG2      THR   4  13.257  -2.823  -5.704
   35    H    CYS   5           H        CYS   5  10.606  -0.236  -3.542
   36    HA   CYS   5           HA       CYS   5   9.131  -0.458  -1.737
   37   1HB   CYS   5          2HB       CYS   5   7.568  -0.113  -3.996
   38   2HB   CYS   5          1HB       CYS   5   6.884  -1.544  -3.240
   39    H    LYS   6           H        LYS   6  10.805  -2.722  -2.478
   40    HA   LYS   6           HA       LYS   6  11.095  -4.944  -1.800
   41   1HB   LYS   6          2HB       LYS   6   9.355  -3.884   0.086
   42   2HB   LYS   6          1HB       LYS   6   8.477  -5.295  -0.502
   43   1HG   LYS   6          2HG       LYS   6  10.721  -6.559  -0.206
   44   2HG   LYS   6          1HG       LYS   6  11.202  -5.184   0.786
   45   1HD   LYS   6          2HD       LYS   6   8.566  -5.963   1.597
   46   2HD   LYS   6          1HD       LYS   6   9.560  -7.417   1.524
   47   1HE   LYS   6          2HE       LYS   6  10.912  -5.106   2.758
   48   2HE   LYS   6          1HE       LYS   6   9.501  -5.677   3.649
   49   1HZ   LYS   6          3HZ       LYS   6  11.456  -7.626   2.641
   50   2HZ   LYS   6          2HZ       LYS   6  11.812  -6.749   4.053
   51   3HZ   LYS   6          1HZ       LYS   6  10.427  -7.731   3.985
   52    H    SER   7           H        SER   7   9.151  -7.021  -1.619
   53    HA   SER   7           HA       SER   7   8.064  -6.997  -4.409
   54   1HB   SER   7          2HB       SER   7   8.357  -9.537  -4.223
   55   2HB   SER   7          1HB       SER   7   9.834  -8.587  -4.363
   56    HG   SER   7           HG       SER   7   9.860 -10.181  -2.663
   57    H    GLY   8           H        GLY   8   6.142  -8.421  -4.709
   58   1HA   GLY   8          2HA       GLY   8   3.981  -9.108  -4.122
   59   2HA   GLY   8          1HA       GLY   8   4.626  -9.464  -2.521
   60    H    ASP   9           H        ASP   9   4.919  -6.231  -3.812
   61    HA   ASP   9           HA       ASP   9   2.942  -5.293  -1.790
   62   1HB   ASP   9          2HB       ASP   9   5.055  -3.642  -3.174
   63   2HB   ASP   9          1HB       ASP   9   4.191  -3.271  -1.695
   64    H    PHE  10           H        PHE  10   2.470  -2.774  -2.719
   65    HA   PHE  10           HA       PHE  10   2.065  -2.517  -5.494
   66   1HB   PHE  10          2HB       PHE  10   0.067  -3.503  -5.968
   67   2HB   PHE  10          1HB       PHE  10   0.279  -4.373  -4.460
   68    HD1  PHE  10           HD1      PHE  10  -1.278  -1.332  -5.971
   69    HD2  PHE  10           HD2      PHE  10  -1.226  -4.016  -2.615
   70    HE1  PHE  10           HE1      PHE  10  -3.363  -0.283  -5.110
   71    HE2  PHE  10           HE2      PHE  10  -3.309  -2.967  -1.761
   72    HZ   PHE  10           HZ       PHE  10  -4.381  -1.126  -2.993
   73    H    SER  11           H        SER  11   1.640  -0.369  -5.921
   74    HA   SER  11           HA       SER  11   1.223   1.404  -3.611
   75   1HB   SER  11          2HB       SER  11   1.119   3.127  -5.632
   76   2HB   SER  11          1HB       SER  11   2.660   2.457  -5.107
   77    HG   SER  11           HG       SER  11   2.731   1.220  -6.853
   78    H    CYS  12           H        CYS  12  -0.754   2.412  -3.143
   79    HA   CYS  12           HA       CYS  12  -3.182   1.242  -3.820
   80   1HB   CYS  12          2HB       CYS  12  -2.789   4.164  -3.228
   81   2HB   CYS  12          1HB       CYS  12  -4.268   3.265  -3.013
   82    H    GLY  13           H        GLY  13  -1.516   3.857  -5.535
   83   1HA   GLY  13          2HA       GLY  13  -3.323   3.366  -7.855
   84   2HA   GLY  13          1HA       GLY  13  -3.019   5.023  -7.329
   85    H    GLY  14           H        GLY  14  -1.571   5.976  -8.660
   86   1HA   GLY  14          2HA       GLY  14   0.224   4.554 -10.380
   87   2HA   GLY  14          1HA       GLY  14   0.308   6.282 -10.032
   88    H    ARG  15           H        ARG  15   1.926   6.996  -8.707
   89    HA   ARG  15           HA       ARG  15   3.372   4.992  -7.035
   90   1HB   ARG  15          2HB       ARG  15   5.526   6.065  -7.755
   91   2HB   ARG  15          1HB       ARG  15   4.691   5.229  -9.066
   92   1HG   ARG  15          2HG       ARG  15   3.631   7.467  -9.655
   93   2HG   ARG  15          1HG       ARG  15   4.768   8.205  -8.528
   94   1HD   ARG  15          2HD       ARG  15   6.618   7.690  -9.847
   95   2HD   ARG  15          1HD       ARG  15   5.803   6.341 -10.640
   96    HE   ARG  15           HE       ARG  15   4.363   8.231 -11.722
   97   1HH1  ARG  15          2HH1      ARG  15   6.256  10.253 -10.318
   98   2HH1  ARG  15          1HH1      ARG  15   7.262  10.703 -11.654
   99   1HH2  ARG  15          1HH2      ARG  15   6.261   8.049 -13.648
  100   2HH2  ARG  15          2HH2      ARG  15   7.267   9.455 -13.538
  101    H    VAL  16           H        VAL  16   1.576   6.584  -5.836
  102    HA   VAL  16           HA       VAL  16   2.361   9.194  -5.114
  103    HB   VAL  16           HB       VAL  16   0.816   7.200  -3.436
  104   1HG1  VAL  16          2HG1      VAL  16   1.631   9.229  -2.221
  105   2HG1  VAL  16          1HG1      VAL  16   0.807  10.234  -3.413
  106   3HG1  VAL  16          3HG1      VAL  16  -0.127   9.177  -2.355
  107   1HG2  VAL  16          3HG2      VAL  16   0.141   8.887  -5.800
  108   2HG2  VAL  16          2HG2      VAL  16  -0.511   7.322  -5.316
  109   3HG2  VAL  16          1HG2      VAL  16  -1.059   8.793  -4.512
  110    H    ASN  17           H        ASN  17   2.515   6.487  -2.791
  111    HA   ASN  17           HA       ASN  17   5.311   6.621  -2.277
  112   1HB   ASN  17          2HB       ASN  17   4.204   8.942  -1.425
  113   2HB   ASN  17          1HB       ASN  17   3.962   7.954   0.015
  114   1HD2  ASN  17          2HD2      ASN  17   7.422   9.567  -0.036
  115   2HD2  ASN  17          1HD2      ASN  17   5.884  10.217  -0.334
  116    H    ARG  18           H        ARG  18   2.098   6.178  -0.844
  117    HA   ARG  18           HA       ARG  18   2.933   4.355   1.217
  118   1HB   ARG  18          2HB       ARG  18   0.521   5.581   0.378
  119   2HB   ARG  18          1HB       ARG  18   0.220   3.847   0.326
  120   1HG   ARG  18          2HG       ARG  18   1.690   4.522   2.734
  121   2HG   ARG  18          1HG       ARG  18   0.241   5.517   2.610
  122   1HD   ARG  18          2HD       ARG  18  -1.171   3.729   2.841
  123   2HD   ARG  18          1HD       ARG  18  -0.099   2.639   1.963
  124    HE   ARG  18           HE       ARG  18   0.705   1.955   4.059
  125   1HH1  ARG  18          1HH2      ARG  18   2.353   3.599   5.291
  126   2HH1  ARG  18          2HH2      ARG  18   1.486   4.509   6.482
  127   1HH2  ARG  18          2HH1      ARG  18  -1.630   3.821   5.123
  128   2HH2  ARG  18          1HH1      ARG  18  -0.770   4.632   6.388
  129    H    CYS  19           H        CYS  19   2.471   2.040   1.286
  130    HA   CYS  19           HA       CYS  19   2.301   0.703  -1.359
  131   1HB   CYS  19          2HB       CYS  19   4.658   0.905   0.205
  132   2HB   CYS  19          1HB       CYS  19   4.107  -0.759   0.307
  133    H    ILE  20           H        ILE  20   1.606  -1.580  -1.148
  134    HA   ILE  20           HA       ILE  20   0.613  -2.443   1.492
  135    HB   ILE  20           HB       ILE  20  -1.609  -2.938  -0.217
  136   1HG1  ILE  20          2HG1      ILE  20  -0.639  -0.066  -0.406
  137   2HG1  ILE  20          1HG1      ILE  20  -1.017  -1.161  -1.728
  138   1HG2  ILE  20          2HG2      ILE  20  -1.172  -2.203   2.362
  139   2HG2  ILE  20          1HG2      ILE  20  -1.829  -0.707   1.703
  140   3HG2  ILE  20          3HG2      ILE  20  -2.759  -2.199   1.590
  141   1HD1  ILE  20          3HD1      ILE  20  -3.405  -1.210  -0.598
  142   2HD1  ILE  20          2HD1      ILE  20  -2.877   0.329   0.083
  143   3HD1  ILE  20          1HD1      ILE  20  -2.946   0.115  -1.664
  144    HA   PRO  21           HA       PRO  21   1.466  -6.411  -0.218
  145   1HB   PRO  21          2HB       PRO  21  -0.468  -7.984   0.950
  146   2HB   PRO  21          1HB       PRO  21   0.947  -7.382   1.811
  147   1HG   PRO  21          2HG       PRO  21  -1.851  -6.441   1.961
  148   2HG   PRO  21          1HG       PRO  21  -0.602  -6.395   3.201
  149   1HD   PRO  21          2HD       PRO  21  -1.447  -4.225   1.654
  150   2HD   PRO  21          1HD       PRO  21   0.071  -4.321   2.553
  151    H    GLN  22           H        GLN  22   0.570  -8.172  -1.613
  152    HA   GLN  22           HA       GLN  22  -1.128  -7.190  -3.685
  153   1HB   GLN  22          2HB       GLN  22   0.463  -9.470  -3.232
  154   2HB   GLN  22          1HB       GLN  22  -1.151 -10.057  -3.604
  155   1HG   GLN  22          2HG       GLN  22   0.241  -7.961  -5.277
  156   2HG   GLN  22          1HG       GLN  22   0.375  -9.688  -5.613
  157   1HE2  GLN  22          2HE2      GLN  22  -2.712  -9.776  -7.284
  158   2HE2  GLN  22          1HE2      GLN  22  -1.191 -10.482  -7.016
  159    H    PHE  23           H        PHE  23  -1.781  -8.890  -0.702
  160    HA   PHE  23           HA       PHE  23  -4.421  -9.802  -1.318
  161   1HB   PHE  23          2HB       PHE  23  -2.862 -10.403   0.663
  162   2HB   PHE  23          1HB       PHE  23  -3.563  -8.977   1.406
  163    HD1  PHE  23           HD2      PHE  23  -4.331 -12.307  -0.011
  164    HD2  PHE  23           HD1      PHE  23  -5.834  -8.946   2.203
  165    HE1  PHE  23           HE2      PHE  23  -6.353 -13.610   0.595
  166    HE2  PHE  23           HE1      PHE  23  -7.855 -10.250   2.811
  167    HZ   PHE  23           HZ       PHE  23  -8.113 -12.581   2.005
  168    H    TRP  24           H        TRP  24  -3.154  -6.749  -0.018
  169    HA   TRP  24           HA       TRP  24  -5.804  -5.658   0.476
  170   1HB   TRP  24          2HB       TRP  24  -3.030  -4.616   0.559
  171   2HB   TRP  24          1HB       TRP  24  -4.354  -3.465   0.537
  172    HD1  TRP  24           HD1      TRP  24  -3.669  -6.799   2.398
  173    HE1  TRP  24           HE1      TRP  24  -4.335  -6.497   4.869
  174    HE3  TRP  24           HE3      TRP  24  -5.200  -1.896   2.340
  175    HZ2  TRP  24           HZ2      TRP  24  -5.376  -4.478   6.590
  176    HZ3  TRP  24           HZ3      TRP  24  -6.030  -0.836   4.418
  177    HH2  TRP  24           HH2      TRP  24  -6.112  -2.111   6.537
  178    H    ARG  25           H        ARG  25  -4.014  -6.155  -2.383
  179    HA   ARG  25           HA       ARG  25  -4.874  -3.783  -3.832
  180   1HB   ARG  25          2HB       ARG  25  -2.970  -5.166  -4.617
  181   2HB   ARG  25          1HB       ARG  25  -4.043  -6.547  -4.827
  182   1HG   ARG  25          2HG       ARG  25  -4.054  -5.755  -6.990
  183   2HG   ARG  25          1HG       ARG  25  -5.376  -4.787  -6.351
  184   1HD   ARG  25          2HD       ARG  25  -4.083  -2.857  -6.219
  185   2HD   ARG  25          1HD       ARG  25  -2.572  -3.760  -6.121
  186    HE   ARG  25           HE       ARG  25  -3.139  -4.380  -8.601
  187   1HH1  ARG  25          1HH1      ARG  25  -4.860  -1.119  -9.370
  188   2HH1  ARG  25          2HH1      ARG  25  -5.532  -2.560  -8.681
  189   1HH2  ARG  25          1HH2      ARG  25  -1.574  -2.045  -8.761
  190   2HH2  ARG  25          2HH2      ARG  25  -2.618  -0.826  -9.413
  191    H    CYS  26           H        CYS  26  -6.726  -3.624  -5.172
  192    HA   CYS  26           HA       CYS  26  -8.818  -4.191  -6.113
  193   1HB   CYS  26          2HB       CYS  26  -8.794  -6.793  -4.556
  194   2HB   CYS  26          1HB       CYS  26  -9.807  -6.366  -5.928
  195    H    ASP  27           H        ASP  27  -8.533  -5.444  -2.761
  196    HA   ASP  27           HA       ASP  27 -10.976  -3.978  -2.033
  197   1HB   ASP  27          2HB       ASP  27  -9.222  -5.967  -0.644
  198   2HB   ASP  27          1HB       ASP  27 -10.455  -5.074   0.228
  199    H    GLY  28           H        GLY  28  -7.967  -4.438  -0.230
  200   1HA   GLY  28          2HA       GLY  28  -6.377  -2.857   0.510
  201   2HA   GLY  28          1HA       GLY  28  -7.226  -1.622  -0.430
  202    H    GLN  29           H        GLN  29  -9.725  -2.831   1.255
  203    HA   GLN  29           HA       GLN  29 -10.920  -1.893   3.062
  204   1HB   GLN  29          2HB       GLN  29  -8.167  -1.574   4.326
  205   2HB   GLN  29          1HB       GLN  29  -9.705  -1.718   5.160
  206   1HG   GLN  29          2HG       GLN  29  -9.668  -3.977   3.616
  207   2HG   GLN  29          1HG       GLN  29  -7.977  -3.771   4.051
  208   1HE2  GLN  29          2HE2      GLN  29 -10.544  -5.127   6.832
  209   2HE2  GLN  29          1HE2      GLN  29 -10.968  -4.962   5.196
  210    H    VAL  30           H        VAL  30  -8.521   0.273   4.274
  211    HA   VAL  30           HA       VAL  30  -8.805   2.148   2.119
  212    HB   VAL  30           HB       VAL  30 -10.200   2.543   4.746
  213   1HG1  VAL  30          3HG1      VAL  30  -8.977   4.622   2.953
  214   2HG1  VAL  30          2HG1      VAL  30 -10.579   4.947   3.616
  215   3HG1  VAL  30          1HG1      VAL  30  -9.216   4.665   4.700
  216   1HG2  VAL  30          3HG2      VAL  30 -10.802   2.614   1.803
  217   2HG2  VAL  30          2HG2      VAL  30 -11.574   1.654   3.064
  218   3HG2  VAL  30          1HG2      VAL  30 -11.890   3.386   2.954
  219    H    ASP  31           H        ASP  31  -6.566   1.222   2.484
  220    HA   ASP  31           HA       ASP  31  -5.002   2.466   4.619
  221   1HB   ASP  31          2HB       ASP  31  -4.443   0.210   3.937
  222   2HB   ASP  31          1HB       ASP  31  -4.229   0.742   2.286
  223    H    CYS  32           H        CYS  32  -6.297   3.680   1.825
  224    HA   CYS  32           HA       CYS  32  -4.092   5.652   1.594
  225   1HB   CYS  32          2HB       CYS  32  -5.149   3.901  -0.554
  226   2HB   CYS  32          1HB       CYS  32  -4.828   5.583  -0.982
  227    H    ASP  33           H        ASP  33  -6.841   5.574   2.839
  228    HA   ASP  33           HA       ASP  33  -8.705   6.981   3.041
  229   1HB   ASP  33          2HB       ASP  33  -6.604   8.805   1.863
  230   2HB   ASP  33          1HB       ASP  33  -8.191   9.395   2.356
  231    H    ASN  34           H        ASN  34  -9.448   5.420   1.133
  232    HA   ASN  34           HA       ASN  34 -10.626   5.198  -0.886
  233   1HB   ASN  34          2HB       ASN  34 -11.376   7.688   0.332
  234   2HB   ASN  34          1HB       ASN  34 -11.459   7.829  -1.417
  235   1HD2  ASN  34          2HD2      ASN  34 -14.074   5.376  -1.727
  236   2HD2  ASN  34          1HD2      ASN  34 -12.745   6.040  -2.550
  237    H    GLY  35           H        GLY  35  -7.724   6.065  -0.906
  238   1HA   GLY  35          2HA       GLY  35  -7.322   7.896  -3.078
  239   2HA   GLY  35          1HA       GLY  35  -6.120   6.760  -2.461
  240    H    SER  36           H        SER  36  -5.946   4.702  -3.418
  241    HA   SER  36           HA       SER  36  -7.782   4.108  -5.659
  242   1HB   SER  36          2HB       SER  36  -5.547   3.547  -6.974
  243   2HB   SER  36          1HB       SER  36  -6.245   5.162  -6.986
  244    HG   SER  36           HG       SER  36  -4.794   5.801  -5.455
  245    H    ASP  37           H        ASP  37  -6.213   2.875  -2.941
  246    HA   ASP  37           HA       ASP  37  -5.330   0.332  -3.884
  247   1HB   ASP  37          2HB       ASP  37  -5.848  -0.426  -1.498
  248   2HB   ASP  37          1HB       ASP  37  -4.727   0.908  -1.657
  249    H    GLU  38           H        GLU  38  -8.509   1.671  -3.405
  250    HA   GLU  38           HA       GLU  38  -9.726  -1.005  -3.969
  251   1HB   GLU  38          2HB       GLU  38 -11.820  -0.020  -2.997
  252   2HB   GLU  38          1HB       GLU  38 -10.506  -0.112  -1.828
  253   1HG   GLU  38          2HG       GLU  38 -10.097   2.196  -1.906
  254   2HG   GLU  38          1HG       GLU  38 -10.903   2.381  -3.464
  255    H    GLN  39           H        GLN  39  -8.601   0.592  -6.017
  256    HA   GLN  39           HA       GLN  39 -10.678   2.183  -7.290
  257   1HB   GLN  39          2HB       GLN  39  -8.034   2.299  -7.411
  258   2HB   GLN  39          1HB       GLN  39  -8.309   1.200  -8.747
  259   1HG   GLN  39          2HG       GLN  39  -9.132   2.834 -10.079
  260   2HG   GLN  39          1HG       GLN  39 -10.145   3.476  -8.786
  261   1HE2  GLN  39          2HE2      GLN  39  -7.983   6.191  -8.257
  262   2HE2  GLN  39          1HE2      GLN  39  -9.553   5.553  -8.171
  263    H    GLY  40           H        GLY  40  -8.888  -0.682  -8.450
  264   1HA   GLY  40          2HA       GLY  40 -11.336  -2.081  -9.170
  265   2HA   GLY  40          1HA       GLY  40 -10.501  -1.415 -10.574
  266    H    CYS  41           HN       CYS  41 -10.853  -4.220  -9.058
  267    HA   CYS  41           HA       CYS  41  -8.152  -5.123  -8.610
  268   1HB   CYS  41          2HB       CYS  41 -10.385  -6.161  -7.802
  269   2HB   CYS  41          1HB       CYS  41 -10.453  -6.906  -9.396
   
  No H/Q in entry =         269
  Start of MODEL           5
 Raw file had  276 H/Q atoms
  Start of MODEL    5
    1   1H    LEU   1          2H        LEU   1   7.055  -2.726  -9.733
    2   2H    LEU   1          1H        LEU   1   5.886  -2.198  -8.617
    3   3H    LEU   1          3H        LEU   1   5.720  -3.711  -9.364
    4    HA   LEU   1           HA       LEU   1   5.093  -2.829 -11.379
    5   1HB   LEU   1          2HB       LEU   1   4.006  -1.447  -8.991
    6   2HB   LEU   1          1HB       LEU   1   3.684  -0.649 -10.528
    7    HG   LEU   1           HG       LEU   1   1.878  -2.232  -9.946
    8   1HD1  LEU   1          1HD1      LEU   1   3.039  -1.917 -12.375
    9   2HD1  LEU   1          3HD1      LEU   1   3.206  -3.663 -12.179
   10   3HD1  LEU   1          2HD1      LEU   1   1.610  -2.915 -12.108
   11   1HD2  LEU   1          1HD2      LEU   1   3.342  -3.810  -8.653
   12   2HD2  LEU   1          3HD2      LEU   1   2.300  -4.625  -9.821
   13   3HD2  LEU   1          2HD2      LEU   1   4.009  -4.380 -10.183
   14    H    SER   2           H        SER   2   5.721   0.192  -9.575
   15    HA   SER   2           HA       SER   2   7.303   1.130 -11.938
   16   1HB   SER   2          2HB       SER   2   6.602   3.451 -10.812
   17   2HB   SER   2          1HB       SER   2   5.544   2.626 -11.953
   18    HG   SER   2           HG       SER   2   4.708   3.328  -9.768
   19    H    VAL   3           H        VAL   3   9.171   0.147 -10.847
   20    HA   VAL   3           HA       VAL   3  10.969   0.079  -9.350
   21    HB   VAL   3           HB       VAL   3  11.411   1.922 -10.937
   22   1HG1  VAL   3          3HG1      VAL   3  10.190   3.594  -8.729
   23   2HG1  VAL   3          2HG1      VAL   3  11.224   4.273  -9.985
   24   3HG1  VAL   3          1HG1      VAL   3   9.694   3.511 -10.419
   25   1HG2  VAL   3          3HG2      VAL   3  12.837   1.194  -8.783
   26   2HG2  VAL   3          2HG2      VAL   3  13.366   2.488  -9.859
   27   3HG2  VAL   3          1HG2      VAL   3  12.542   2.878  -8.348
   28    H    THR   4           H        THR   4   8.450   0.098  -7.910
   29    HA   THR   4           HA       THR   4   9.449   1.217  -5.347
   30    HB   THR   4           HB       THR   4   6.946   1.904  -4.948
   31    HG1  THR   4           HG1      THR   4   5.755   1.942  -6.664
   32   1HG2  THR   4          1HG2      THR   4   8.916   3.425  -6.670
   33   2HG2  THR   4          3HG2      THR   4   7.459   4.153  -5.992
   34   3HG2  THR   4          2HG2      THR   4   8.715   3.532  -4.921
   35    H    CYS   5           H        CYS   5   9.107  -0.154  -3.686
   36    HA   CYS   5           HA       CYS   5   8.764  -2.281  -2.731
   37   1HB   CYS   5          2HB       CYS   5   6.397  -2.606  -2.148
   38   2HB   CYS   5          1HB       CYS   5   6.907  -0.972  -1.861
   39    H    LYS   6           H        LYS   6   9.691  -3.343  -4.769
   40    HA   LYS   6           HA       LYS   6   7.634  -4.797  -6.340
   41   1HB   LYS   6          2HB       LYS   6   9.587  -5.562  -7.697
   42   2HB   LYS   6          1HB       LYS   6   9.455  -3.804  -7.623
   43   1HG   LYS   6          2HG       LYS   6  11.369  -3.577  -6.399
   44   2HG   LYS   6          1HG       LYS   6  11.072  -5.048  -5.471
   45   1HD   LYS   6          2HD       LYS   6  11.726  -6.409  -7.434
   46   2HD   LYS   6          1HD       LYS   6  12.055  -4.932  -8.339
   47   1HE   LYS   6          2HE       LYS   6  13.833  -4.313  -6.837
   48   2HE   LYS   6          1HE       LYS   6  13.406  -5.604  -5.713
   49   1HZ   LYS   6          1HZ       LYS   6  13.938  -7.214  -7.462
   50   2HZ   LYS   6          3HZ       LYS   6  14.428  -5.948  -8.479
   51   3HZ   LYS   6          2HZ       LYS   6  15.281  -6.261  -7.044
   52    H    SER   7           H        SER   7   7.483  -5.654  -3.801
   53    HA   SER   7           HA       SER   7   8.587  -8.397  -3.973
   54   1HB   SER   7          2HB       SER   7   9.104  -6.463  -1.713
   55   2HB   SER   7          1HB       SER   7   9.194  -8.207  -1.482
   56    HG   SER   7           HG       SER   7  10.927  -8.296  -2.743
   57    H    GLY   8           H        GLY   8   6.237  -8.675  -4.451
   58   1HA   GLY   8          2HA       GLY   8   4.113  -9.407  -3.784
   59   2HA   GLY   8          1HA       GLY   8   4.791  -9.615  -2.171
   60    H    ASP   9           H        ASP   9   5.068  -6.440  -3.521
   61    HA   ASP   9           HA       ASP   9   2.979  -5.477  -1.635
   62   1HB   ASP   9          2HB       ASP   9   5.046  -3.794  -3.050
   63   2HB   ASP   9          1HB       ASP   9   4.179  -3.425  -1.573
   64    H    PHE  10           H        PHE  10   2.454  -3.012  -2.729
   65    HA   PHE  10           HA       PHE  10   2.091  -3.022  -5.538
   66   1HB   PHE  10          2HB       PHE  10   0.084  -4.015  -5.922
   67   2HB   PHE  10          1HB       PHE  10   0.319  -4.765  -4.355
   68    HD1  PHE  10           HD2      PHE  10  -1.199  -1.757  -6.002
   69    HD2  PHE  10           HD1      PHE  10  -1.245  -4.385  -2.600
   70    HE1  PHE  10           HE2      PHE  10  -3.295  -0.677  -5.205
   71    HE2  PHE  10           HE1      PHE  10  -3.339  -3.306  -1.813
   72    HZ   PHE  10           HZ       PHE  10  -4.368  -1.489  -3.103
   73    H    SER  11           H        SER  11   1.928  -0.926  -6.124
   74    HA   SER  11           HA       SER  11   1.536   1.164  -4.167
   75   1HB   SER  11          2HB       SER  11   1.399   2.635  -6.249
   76   2HB   SER  11          1HB       SER  11   2.875   1.686  -6.094
   77    HG   SER  11           HG       SER  11   2.256   1.196  -8.090
   78    H    CYS  12           H        CYS  12  -0.391   2.053  -3.511
   79    HA   CYS  12           HA       CYS  12  -2.884   0.882  -3.963
   80   1HB   CYS  12          2HB       CYS  12  -2.398   3.790  -3.394
   81   2HB   CYS  12          1HB       CYS  12  -3.868   2.904  -3.059
   82    H    GLY  13           H        GLY  13  -1.511   3.721  -5.646
   83   1HA   GLY  13          2HA       GLY  13  -2.294   3.247  -8.219
   84   2HA   GLY  13          1HA       GLY  13  -3.783   3.847  -7.494
   85    H    GLY  14           H        GLY  14  -0.361   4.771  -7.122
   86   1HA   GLY  14          2HA       GLY  14  -0.775   7.356  -8.397
   87   2HA   GLY  14          1HA       GLY  14  -0.658   7.478  -6.640
   88    H    ARG  15           H        ARG  15   1.328   8.766  -7.267
   89    HA   ARG  15           HA       ARG  15   3.636   7.030  -8.003
   90   1HB   ARG  15          2HB       ARG  15   3.074   9.965  -8.169
   91   2HB   ARG  15          1HB       ARG  15   4.749   9.447  -7.978
   92   1HG   ARG  15          2HG       ARG  15   2.963   8.201 -10.065
   93   2HG   ARG  15          1HG       ARG  15   3.840   9.696 -10.390
   94   1HD   ARG  15          2HD       ARG  15   5.937   8.664 -10.182
   95   2HD   ARG  15          1HD       ARG  15   5.285   7.307  -9.263
   96    HE   ARG  15           HE       ARG  15   4.051   7.146 -11.764
   97   1HH1  ARG  15          1HH2      ARG  15   6.419   5.568 -10.250
   98   2HH1  ARG  15          2HH2      ARG  15   7.457   5.321 -11.615
   99   1HH2  ARG  15          2HH1      ARG  15   5.749   7.544 -13.655
  100   2HH2  ARG  15          1HH1      ARG  15   7.079   6.439 -13.541
  101    H    VAL  16           H        VAL  16   4.913   6.327  -6.402
  102    HA   VAL  16           HA       VAL  16   5.694   5.969  -4.229
  103    HB   VAL  16           HB       VAL  16   7.201   7.622  -5.281
  104   1HG1  VAL  16          1HG1      VAL  16   5.430   9.594  -3.817
  105   2HG1  VAL  16          3HG1      VAL  16   7.042   9.997  -4.410
  106   3HG1  VAL  16          2HG1      VAL  16   5.774   9.536  -5.546
  107   1HG2  VAL  16          2HG2      VAL  16   6.956   6.927  -2.531
  108   2HG2  VAL  16          1HG2      VAL  16   8.419   7.395  -3.397
  109   3HG2  VAL  16          3HG2      VAL  16   7.447   8.620  -2.583
  110    H    ASN  17           H        ASN  17   2.839   6.562  -4.183
  111    HA   ASN  17           HA       ASN  17   2.360   8.403  -1.963
  112   1HB   ASN  17          2HB       ASN  17   0.676   6.479  -3.548
  113   2HB   ASN  17          1HB       ASN  17   0.059   7.127  -2.028
  114   1HD2  ASN  17          2HD2      ASN  17   0.645   9.696  -5.188
  115   2HD2  ASN  17          1HD2      ASN  17   1.492   8.225  -5.140
  116    H    ARG  18           H        ARG  18   1.682   4.906  -2.254
  117    HA   ARG  18           HA       ARG  18   3.170   4.178   0.099
  118   1HB   ARG  18          2HB       ARG  18   1.273   5.418   1.170
  119   2HB   ARG  18          1HB       ARG  18   0.157   4.269   0.434
  120   1HG   ARG  18          2HG       ARG  18   2.000   2.596   1.623
  121   2HG   ARG  18          1HG       ARG  18   1.923   3.934   2.767
  122   1HD   ARG  18          2HD       ARG  18  -0.720   3.105   1.790
  123   2HD   ARG  18          1HD       ARG  18   0.135   1.827   2.652
  124    HE   ARG  18           HE       ARG  18  -1.067   4.101   3.885
  125   1HH1  ARG  18          2HH1      ARG  18   0.487   1.410   4.782
  126   2HH1  ARG  18          1HH1      ARG  18   1.469   2.106   6.028
  127   1HH2  ARG  18          1HH2      ARG  18   0.781   5.378   5.109
  128   2HH2  ARG  18          2HH2      ARG  18   1.634   4.353   6.213
  129    H    CYS  19           H        CYS  19   3.348   1.922   0.188
  130    HA   CYS  19           HA       CYS  19   1.988   0.466  -1.995
  131   1HB   CYS  19          2HB       CYS  19   4.439  -0.037  -0.379
  132   2HB   CYS  19          1HB       CYS  19   3.730  -1.298  -1.371
  133    H    ILE  20           H        ILE  20   1.449  -1.885  -1.460
  134    HA   ILE  20           HA       ILE  20   0.675  -2.408   1.332
  135    HB   ILE  20           HB       ILE  20  -1.672  -3.072  -0.159
  136   1HG1  ILE  20          2HG1      ILE  20  -0.787  -0.195  -0.606
  137   2HG1  ILE  20          1HG1      ILE  20  -1.114  -1.398  -1.852
  138   1HG2  ILE  20          1HG2      ILE  20  -1.078  -2.144   2.306
  139   2HG2  ILE  20          3HG2      ILE  20  -1.707  -0.667   1.573
  140   3HG2  ILE  20          2HG2      ILE  20  -2.706  -2.120   1.628
  141   1HD1  ILE  20          3HD1      ILE  20  -3.480  -1.537  -0.775
  142   2HD1  ILE  20          2HD1      ILE  20  -3.060   0.004  -0.028
  143   3HD1  ILE  20          1HD1      ILE  20  -3.105  -0.141  -1.784
  144    HA   PRO  21           HA       PRO  21   1.336  -6.570   0.038
  145   1HB   PRO  21          2HB       PRO  21  -0.637  -7.983   1.338
  146   2HB   PRO  21          1HB       PRO  21   0.788  -7.331   2.145
  147   1HG   PRO  21          2HG       PRO  21  -1.990  -6.333   2.200
  148   2HG   PRO  21          1HG       PRO  21  -0.736  -6.174   3.423
  149   1HD   PRO  21          2HD       PRO  21  -1.563  -4.179   1.644
  150   2HD   PRO  21          1HD       PRO  21  -0.062  -4.175   2.575
  151    H    GLN  22           H        GLN  22   0.426  -8.434  -1.186
  152    HA   GLN  22           HA       GLN  22  -1.220  -7.645  -3.369
  153   1HB   GLN  22          2HB       GLN  22  -0.044 -10.149  -2.377
  154   2HB   GLN  22          1HB       GLN  22  -1.433 -10.336  -3.438
  155   1HG   GLN  22          2HG       GLN  22   0.652  -8.380  -4.273
  156   2HG   GLN  22          1HG       GLN  22   1.079 -10.087  -4.378
  157   1HE2  GLN  22          2HE2      GLN  22  -1.690  -8.535  -6.942
  158   2HE2  GLN  22          1HE2      GLN  22  -1.088  -7.600  -5.660
  159    H    PHE  23           H        PHE  23  -1.973  -9.020  -0.239
  160    HA   PHE  23           HA       PHE  23  -4.625  -9.929  -0.817
  161   1HB   PHE  23          2HB       PHE  23  -3.189 -10.414   1.249
  162   2HB   PHE  23          1HB       PHE  23  -3.749  -8.852   1.821
  163    HD1  PHE  23           HD2      PHE  23  -6.245  -8.416   2.015
  164    HD2  PHE  23           HD1      PHE  23  -4.597 -12.328   1.358
  165    HE1  PHE  23           HE2      PHE  23  -8.381  -9.439   2.747
  166    HE2  PHE  23           HE1      PHE  23  -6.735 -13.352   2.089
  167    HZ   PHE  23           HZ       PHE  23  -8.627 -11.907   2.784
  168    H    TRP  24           H        TRP  24  -3.381  -6.822   0.423
  169    HA   TRP  24           HA       TRP  24  -6.000  -5.630   0.630
  170   1HB   TRP  24          2HB       TRP  24  -3.214  -4.593   0.682
  171   2HB   TRP  24          1HB       TRP  24  -4.557  -3.469   0.650
  172    HD1  TRP  24           HD1      TRP  24  -3.840  -6.760   2.552
  173    HE1  TRP  24           HE1      TRP  24  -4.457  -6.433   5.029
  174    HE3  TRP  24           HE3      TRP  24  -5.336  -1.826   2.497
  175    HZ2  TRP  24           HZ2      TRP  24  -5.450  -4.405   6.753
  176    HZ3  TRP  24           HZ3      TRP  24  -6.128  -0.767   4.589
  177    HH2  TRP  24           HH2      TRP  24  -6.173  -2.036   6.710
  178    H    ARG  25           H        ARG  25  -4.125  -6.418  -2.100
  179    HA   ARG  25           HA       ARG  25  -4.835  -4.170  -3.790
  180   1HB   ARG  25          2HB       ARG  25  -2.991  -5.685  -4.416
  181   2HB   ARG  25          1HB       ARG  25  -4.096  -7.055  -4.462
  182   1HG   ARG  25          2HG       ARG  25  -3.834  -6.410  -6.736
  183   2HG   ARG  25          1HG       ARG  25  -5.391  -5.736  -6.261
  184   1HD   ARG  25          2HD       ARG  25  -4.632  -3.575  -6.340
  185   2HD   ARG  25          1HD       ARG  25  -3.018  -4.021  -5.796
  186    HE   ARG  25           HE       ARG  25  -2.515  -4.730  -8.104
  187   1HH1  ARG  25          1HH2      ARG  25  -4.532  -5.303  -9.770
  188   2HH1  ARG  25          2HH2      ARG  25  -5.131  -3.822 -10.441
  189   1HH2  ARG  25          2HH1      ARG  25  -3.687  -1.824  -8.003
  190   2HH2  ARG  25          1HH1      ARG  25  -4.652  -1.853  -9.441
  191    H    CYS  26           H        CYS  26  -6.668  -3.991  -5.123
  192    HA   CYS  26           HA       CYS  26  -8.766  -4.510  -6.074
  193   1HB   CYS  26          2HB       CYS  26  -7.954  -7.038  -5.749
  194   2HB   CYS  26          1HB       CYS  26  -9.143  -6.995  -4.448
  195    H    ASP  27           H        ASP  27  -8.572  -5.632  -2.662
  196    HA   ASP  27           HA       ASP  27 -10.980  -4.050  -2.048
  197   1HB   ASP  27          2HB       ASP  27  -9.390  -6.093  -0.534
  198   2HB   ASP  27          1HB       ASP  27 -10.668  -5.159   0.221
  199    H    GLY  28           H        GLY  28  -8.093  -4.671  -0.103
  200   1HA   GLY  28          2HA       GLY  28  -6.490  -3.221   0.793
  201   2HA   GLY  28          1HA       GLY  28  -7.051  -1.992  -0.345
  202    H    GLN  29           H        GLN  29  -9.818  -2.890   1.240
  203    HA   GLN  29           HA       GLN  29 -11.090  -1.669   2.810
  204   1HB   GLN  29          2HB       GLN  29  -8.421  -1.299   4.234
  205   2HB   GLN  29          1HB       GLN  29 -10.021  -1.288   4.958
  206   1HG   GLN  29          2HG       GLN  29  -9.936  -3.720   3.669
  207   2HG   GLN  29          1HG       GLN  29  -8.301  -3.514   4.282
  208   1HE2  GLN  29          2HE2      GLN  29 -11.365  -4.140   6.899
  209   2HE2  GLN  29          1HE2      GLN  29 -11.674  -3.912   5.245
  210    H    VAL  30           H        VAL  30  -8.715   0.544   3.943
  211    HA   VAL  30           HA       VAL  30  -8.688   2.143   1.564
  212    HB   VAL  30           HB       VAL  30 -10.408   2.854   3.911
  213   1HG1  VAL  30          3HG1      VAL  30  -8.724   4.722   2.325
  214   2HG1  VAL  30          2HG1      VAL  30 -10.429   5.161   2.423
  215   3HG1  VAL  30          1HG1      VAL  30  -9.483   4.963   3.898
  216   1HG2  VAL  30          3HG2      VAL  30 -10.566   2.657   0.920
  217   2HG2  VAL  30          2HG2      VAL  30 -11.612   1.929   2.139
  218   3HG2  VAL  30          1HG2      VAL  30 -11.736   3.653   1.787
  219    H    ASP  31           H        ASP  31  -6.508   1.396   2.121
  220    HA   ASP  31           HA       ASP  31  -5.189   2.851   4.327
  221   1HB   ASP  31          2HB       ASP  31  -4.752   0.433   4.038
  222   2HB   ASP  31          1HB       ASP  31  -4.125   0.766   2.443
  223    H    CYS  32           H        CYS  32  -6.171   4.013   1.603
  224    HA   CYS  32           HA       CYS  32  -3.754   5.622   1.144
  225   1HB   CYS  32          2HB       CYS  32  -4.702   3.505  -0.697
  226   2HB   CYS  32          1HB       CYS  32  -4.223   5.027  -1.447
  227    H    ASP  33           H        ASP  33  -4.828   7.543   1.520
  228    HA   ASP  33           HA       ASP  33  -6.344   9.311   1.192
  229   1HB   ASP  33          2HB       ASP  33  -6.318   8.246  -1.651
  230   2HB   ASP  33          1HB       ASP  33  -6.663   9.899  -1.146
  231    H    ASN  34           H        ASN  34  -8.513   9.231  -0.942
  232    HA   ASN  34           HA       ASN  34 -10.678   8.319   0.615
  233   1HB   ASN  34          2HB       ASN  34 -11.945   8.282  -1.579
  234   2HB   ASN  34          1HB       ASN  34 -11.104   9.793  -1.241
  235   1HD2  ASN  34          2HD2      ASN  34  -9.471   9.582  -4.348
  236   2HD2  ASN  34          1HD2      ASN  34 -10.313  10.536  -3.223
  237    H    GLY  35           H        GLY  35  -8.481   6.519  -1.422
  238   1HA   GLY  35          2HA       GLY  35  -8.542   4.049  -0.595
  239   2HA   GLY  35          1HA       GLY  35 -10.205   4.099  -1.177
  240    H    SER  36           H        SER  36  -6.839   4.634  -2.309
  241    HA   SER  36           HA       SER  36  -7.736   4.070  -5.073
  242   1HB   SER  36          2HB       SER  36  -5.181   4.418  -5.507
  243   2HB   SER  36          1HB       SER  36  -6.204   5.810  -5.168
  244    HG   SER  36           HG       SER  36  -5.041   6.136  -3.455
  245    H    ASP  37           H        ASP  37  -6.469   2.348  -2.378
  246    HA   ASP  37           HA       ASP  37  -4.877   0.358  -3.589
  247   1HB   ASP  37          2HB       ASP  37  -5.814  -1.133  -1.731
  248   2HB   ASP  37          1HB       ASP  37  -5.058   0.352  -1.214
  249    H    GLU  38           H        GLU  38  -8.336   0.893  -3.629
  250    HA   GLU  38           HA       GLU  38  -8.706  -1.536  -5.335
  251   1HB   GLU  38          2HB       GLU  38 -11.130  -1.305  -4.724
  252   2HB   GLU  38          1HB       GLU  38 -10.099  -1.619  -3.330
  253   1HG   GLU  38          2HG       GLU  38 -10.534   0.406  -2.399
  254   2HG   GLU  38          1HG       GLU  38 -10.410   1.245  -3.945
  255    H    GLN  39           H        GLN  39  -7.574   0.616  -6.539
  256    HA   GLN  39           HA       GLN  39  -9.720   2.191  -7.838
  257   1HB   GLN  39          2HB       GLN  39  -7.438   3.057  -6.802
  258   2HB   GLN  39          1HB       GLN  39  -6.842   2.601  -8.382
  259   1HG   GLN  39          2HG       GLN  39  -8.028   4.252  -9.455
  260   2HG   GLN  39          1HG       GLN  39  -9.337   4.212  -8.275
  261   1HE2  GLN  39          2HE2      GLN  39  -6.094   6.623  -7.625
  262   2HE2  GLN  39          1HE2      GLN  39  -6.049   5.456  -8.856
  263    H    GLY  40           H        GLY  40 -10.292   0.035  -8.936
  264   1HA   GLY  40          2HA       GLY  40 -10.456  -0.792 -11.190
  265   2HA   GLY  40          1HA       GLY  40  -8.882  -0.074 -11.541
  266    H    CYS  41           HN       CYS  41 -10.488  -2.789  -9.942
  267    HA   CYS  41           HA       CYS  41  -8.137  -4.153  -9.058
  268   1HB   CYS  41          2HB       CYS  41 -10.600  -4.628  -8.470
  269   2HB   CYS  41          1HB       CYS  41 -10.662  -5.524  -9.986
   
  No H/Q in entry =         269
  Start of MODEL           6
 Raw file had  276 H/Q atoms
  Start of MODEL    6
    1   1H    LEU   1          3H        LEU   1  17.437  -4.383   0.150
    2   2H    LEU   1          2H        LEU   1  17.646  -5.984  -0.370
    3   3H    LEU   1          1H        LEU   1  18.490  -4.723  -1.127
    4    HA   LEU   1           HA       LEU   1  16.767  -5.303  -2.573
    5   1HB   LEU   1          2HB       LEU   1  14.349  -5.130  -1.744
    6   2HB   LEU   1          1HB       LEU   1  15.252  -6.553  -1.265
    7    HG   LEU   1           HG       LEU   1  13.837  -5.523   0.545
    8   1HD1  LEU   1          1HD1      LEU   1  16.237  -6.768   0.745
    9   2HD1  LEU   1          3HD1      LEU   1  16.568  -5.278   1.629
   10   3HD1  LEU   1          2HD1      LEU   1  15.237  -6.318   2.125
   11   1HD2  LEU   1          3HD2      LEU   1  14.497  -3.126  -0.188
   12   2HD2  LEU   1          2HD2      LEU   1  14.344  -3.461   1.535
   13   3HD2  LEU   1          1HD2      LEU   1  15.938  -3.379   0.795
   14    H    SER   2           H        SER   2  15.329  -3.732  -3.644
   15    HA   SER   2           HA       SER   2  15.788  -0.957  -2.615
   16   1HB   SER   2          2HB       SER   2  15.732  -0.278  -5.036
   17   2HB   SER   2          1HB       SER   2  17.093  -1.320  -4.631
   18    HG   SER   2           HG       SER   2  16.152  -2.148  -6.460
   19    H    VAL   3           H        VAL   3  13.601  -3.047  -4.486
   20    HA   VAL   3           HA       VAL   3  11.471  -1.214  -4.769
   21    HB   VAL   3           HB       VAL   3  11.623  -3.345  -6.006
   22   1HG1  VAL   3          3HG1      VAL   3  12.361  -4.549  -3.778
   23   2HG1  VAL   3          2HG1      VAL   3  10.628  -4.815  -3.588
   24   3HG1  VAL   3          1HG1      VAL   3  11.466  -5.440  -5.008
   25   1HG2  VAL   3          2HG2      VAL   3   9.426  -2.233  -5.758
   26   2HG2  VAL   3          1HG2      VAL   3   9.253  -3.986  -5.829
   27   3HG2  VAL   3          3HG2      VAL   3   9.135  -3.151  -4.281
   28    H    THR   4           H        THR   4  12.521  -3.083  -2.012
   29    HA   THR   4           HA       THR   4  11.668  -3.302   0.158
   30    HB   THR   4           HB       THR   4  10.209  -1.003   0.634
   31    HG1  THR   4           HG1      THR   4  11.459   0.601  -0.470
   32   1HG2  THR   4          3HG2      THR   4  12.439  -2.102   1.603
   33   2HG2  THR   4          2HG2      THR   4  13.181  -0.804   0.667
   34   3HG2  THR   4          1HG2      THR   4  12.012  -0.424   1.932
   35    H    CYS   5           H        CYS   5   9.363  -2.617   1.418
   36    HA   CYS   5           HA       CYS   5   7.134  -3.273   1.668
   37   1HB   CYS   5          2HB       CYS   5   7.186  -1.779  -0.593
   38   2HB   CYS   5          1HB       CYS   5   6.581  -3.303  -1.218
   39    H    LYS   6           H        LYS   6   9.336  -5.276   0.936
   40    HA   LYS   6           HA       LYS   6   9.471  -7.586   0.558
   41   1HB   LYS   6          2HB       LYS   6   7.211  -7.150   2.086
   42   2HB   LYS   6          1HB       LYS   6   6.566  -8.067   0.725
   43   1HG   LYS   6          2HG       LYS   6   7.925  -9.926   1.165
   44   2HG   LYS   6          1HG       LYS   6   9.085  -8.978   2.096
   45   1HD   LYS   6          2HD       LYS   6   7.988  -9.894   3.881
   46   2HD   LYS   6          1HD       LYS   6   6.851  -8.579   3.585
   47   1HE   LYS   6          2HE       LYS   6   5.976 -10.495   1.811
   48   2HE   LYS   6          1HE       LYS   6   6.517 -11.476   3.174
   49   1HZ   LYS   6          1HZ       LYS   6   4.796  -9.099   3.542
   50   2HZ   LYS   6          3HZ       LYS   6   4.143 -10.633   3.227
   51   3HZ   LYS   6          2HZ       LYS   6   5.076 -10.379   4.625
   52    H    SER   7           H        SER   7   7.630  -9.330  -0.721
   53    HA   SER   7           HA       SER   7   7.753  -8.248  -3.494
   54   1HB   SER   7          2HB       SER   7   7.384 -11.093  -2.508
   55   2HB   SER   7          1HB       SER   7   7.534 -10.607  -4.195
   56    HG   SER   7           HG       SER   7   9.555 -11.174  -3.530
   57    H    GLY   8           H        GLY   8   5.892  -8.964  -4.939
   58   1HA   GLY   8          2HA       GLY   8   3.598  -8.954  -5.433
   59   2HA   GLY   8          1HA       GLY   8   3.361  -9.750  -3.877
   60    H    ASP   9           H        ASP   9   4.756  -6.533  -4.480
   61    HA   ASP   9           HA       ASP   9   2.923  -5.371  -2.500
   62   1HB   ASP   9          2HB       ASP   9   4.667  -3.624  -4.187
   63   2HB   ASP   9          1HB       ASP   9   4.324  -3.540  -2.468
   64    H    PHE  10           H        PHE  10   2.290  -2.915  -3.440
   65    HA   PHE  10           HA       PHE  10   1.491  -2.738  -6.140
   66   1HB   PHE  10          2HB       PHE  10  -0.484  -3.831  -6.321
   67   2HB   PHE  10          1HB       PHE  10  -0.070  -4.614  -4.808
   68    HD1  PHE  10           HD1      PHE  10  -1.989  -1.825  -6.339
   69    HD2  PHE  10           HD2      PHE  10  -1.280  -4.106  -2.766
   70    HE1  PHE  10           HE1      PHE  10  -4.024  -0.840  -5.315
   71    HE2  PHE  10           HE2      PHE  10  -3.312  -3.115  -1.747
   72    HZ   PHE  10           HZ       PHE  10  -4.689  -1.511  -3.005
   73    H    SER  11           H        SER  11   0.892  -0.648  -6.568
   74    HA   SER  11           HA       SER  11   0.744   1.198  -4.268
   75   1HB   SER  11          2HB       SER  11   0.718   2.947  -6.104
   76   2HB   SER  11          1HB       SER  11   2.150   1.921  -6.092
   77    HG   SER  11           HG       SER  11   1.464   1.881  -8.162
   78    H    CYS  12           H        CYS  12  -1.219   1.794  -3.445
   79    HA   CYS  12           HA       CYS  12  -3.700   0.846  -4.329
   80   1HB   CYS  12          2HB       CYS  12  -4.664   2.796  -3.022
   81   2HB   CYS  12          1HB       CYS  12  -3.546   1.789  -2.125
   82    H    GLY  13           H        GLY  13  -1.979   3.794  -5.266
   83   1HA   GLY  13          2HA       GLY  13  -3.315   4.001  -7.791
   84   2HA   GLY  13          1HA       GLY  13  -4.029   5.148  -6.659
   85    H    GLY  14           H        GLY  14  -1.594   4.773  -8.916
   86   1HA   GLY  14          2HA       GLY  14   0.138   6.220  -9.570
   87   2HA   GLY  14          1HA       GLY  14  -0.482   7.381  -8.394
   88    H    ARG  15           H        ARG  15   2.003   7.627  -8.190
   89    HA   ARG  15           HA       ARG  15   3.080   5.601  -6.274
   90   1HB   ARG  15          2HB       ARG  15   4.547   7.651  -7.966
   91   2HB   ARG  15          1HB       ARG  15   5.309   6.487  -6.880
   92   1HG   ARG  15          2HG       ARG  15   4.376   4.627  -8.186
   93   2HG   ARG  15          1HG       ARG  15   3.562   5.768  -9.254
   94   1HD   ARG  15          2HD       ARG  15   6.434   6.309  -8.977
   95   2HD   ARG  15          1HD       ARG  15   6.088   4.724  -9.668
   96    HE   ARG  15           HE       ARG  15   4.498   6.814 -10.906
   97   1HH1  ARG  15          1HH2      ARG  15   6.476   4.326 -11.658
   98   2HH1  ARG  15          2HH2      ARG  15   7.376   5.127 -12.901
   99   1HH2  ARG  15          2HH1      ARG  15   6.137   8.274 -12.142
  100   2HH2  ARG  15          1HH1      ARG  15   7.185   7.361 -13.175
  101    H    VAL  16           H        VAL  16   1.785   6.690  -4.569
  102    HA   VAL  16           HA       VAL  16   2.677   9.377  -3.821
  103    HB   VAL  16           HB       VAL  16   0.256   8.828  -3.817
  104   1HG1  VAL  16          3HG1      VAL  16   1.075   6.446  -2.642
  105   2HG1  VAL  16          2HG1      VAL  16   0.329   7.321  -1.306
  106   3HG1  VAL  16          1HG1      VAL  16  -0.590   7.009  -2.779
  107   1HG2  VAL  16          1HG2      VAL  16   1.595  10.387  -2.083
  108   2HG2  VAL  16          3HG2      VAL  16  -0.153  10.173  -1.997
  109   3HG2  VAL  16          2HG2      VAL  16   0.901   9.240  -0.936
  110    H    ASN  17           H        ASN  17   4.422   6.942  -3.556
  111    HA   ASN  17           HA       ASN  17   5.972   6.105  -2.017
  112   1HB   ASN  17          2HB       ASN  17   5.632   8.794  -1.393
  113   2HB   ASN  17          1HB       ASN  17   5.380   7.989   0.155
  114   1HD2  ASN  17          2HD2      ASN  17   8.741   6.565   0.144
  115   2HD2  ASN  17          1HD2      ASN  17   7.146   6.112   0.507
  116    H    ARG  18           H        ARG  18   3.178   5.186  -1.981
  117    HA   ARG  18           HA       ARG  18   3.193   4.024   0.758
  118   1HB   ARG  18          2HB       ARG  18   1.433   6.032   0.121
  119   2HB   ARG  18          1HB       ARG  18   0.497   4.603  -0.315
  120   1HG   ARG  18          2HG       ARG  18   1.958   4.595   2.299
  121   2HG   ARG  18          1HG       ARG  18   0.474   5.540   2.173
  122   1HD   ARG  18          2HD       ARG  18  -0.815   3.618   1.576
  123   2HD   ARG  18          1HD       ARG  18   0.632   2.648   1.299
  124    HE   ARG  18           HE       ARG  18  -0.609   3.165   3.886
  125   1HH1  ARG  18          2HH1      ARG  18   2.015   4.101   4.576
  126   2HH1  ARG  18          1HH1      ARG  18   2.926   2.659   4.878
  127   1HH2  ARG  18          1HH2      ARG  18   0.685   0.583   3.236
  128   2HH2  ARG  18          2HH2      ARG  18   2.173   0.667   4.119
  129    H    CYS  19           H        CYS  19   3.440   1.880   0.334
  130    HA   CYS  19           HA       CYS  19   2.048   0.740  -2.036
  131   1HB   CYS  19          2HB       CYS  19   3.698  -1.108  -1.817
  132   2HB   CYS  19          1HB       CYS  19   4.461   0.446  -2.109
  133    H    ILE  20           H        ILE  20   1.496  -1.669  -1.679
  134    HA   ILE  20           HA       ILE  20   0.701  -2.350   1.076
  135    HB   ILE  20           HB       ILE  20  -1.607  -2.990  -0.481
  136   1HG1  ILE  20          2HG1      ILE  20  -0.695  -0.121  -0.865
  137   2HG1  ILE  20          1HG1      ILE  20  -1.175  -1.274  -2.100
  138   1HG2  ILE  20          2HG2      ILE  20  -1.044  -2.148   2.038
  139   2HG2  ILE  20          1HG2      ILE  20  -1.766  -0.688   1.363
  140   3HG2  ILE  20          3HG2      ILE  20  -2.671  -2.201   1.359
  141   1HD1  ILE  20          2HD1      ILE  20  -3.453  -1.255  -0.680
  142   2HD1  ILE  20          1HD1      ILE  20  -2.877   0.362  -0.279
  143   3HD1  ILE  20          3HD1      ILE  20  -3.140  -0.088  -1.961
  144    HA   PRO  21           HA       PRO  21   1.553  -6.395  -0.448
  145   1HB   PRO  21          2HB       PRO  21  -0.235  -7.945   0.959
  146   2HB   PRO  21          1HB       PRO  21   1.218  -7.249   1.666
  147   1HG   PRO  21          2HG       PRO  21  -1.584  -6.392   1.987
  148   2HG   PRO  21          1HG       PRO  21  -0.243  -6.213   3.108
  149   1HD   PRO  21          2HD       PRO  21  -1.302  -4.193   1.484
  150   2HD   PRO  21          1HD       PRO  21   0.275  -4.159   2.280
  151    H    GLN  22           H        GLN  22   0.638  -8.248  -1.679
  152    HA   GLN  22           HA       GLN  22  -1.214  -7.480  -3.693
  153   1HB   GLN  22          2HB       GLN  22   0.437  -9.691  -3.148
  154   2HB   GLN  22          1HB       GLN  22  -1.186 -10.331  -3.349
  155   1HG   GLN  22          2HG       GLN  22  -1.403  -9.215  -5.510
  156   2HG   GLN  22          1HG       GLN  22   0.180  -8.465  -5.303
  157   1HE2  GLN  22          2HE2      GLN  22  -0.039 -12.453  -6.258
  158   2HE2  GLN  22          1HE2      GLN  22  -1.410 -11.662  -5.646
  159    H    PHE  23           H        PHE  23  -1.676  -8.888  -0.534
  160    HA   PHE  23           HA       PHE  23  -4.332  -9.888  -0.920
  161   1HB   PHE  23          2HB       PHE  23  -2.701 -10.353   1.010
  162   2HB   PHE  23          1HB       PHE  23  -3.285  -8.830   1.662
  163    HD1  PHE  23           HD2      PHE  23  -5.861  -8.526   1.851
  164    HD2  PHE  23           HD1      PHE  23  -3.918 -12.329   1.397
  165    HE1  PHE  23           HE2      PHE  23  -7.881  -9.662   2.732
  166    HE2  PHE  23           HE1      PHE  23  -5.940 -13.467   2.277
  167    HZ   PHE  23           HZ       PHE  23  -7.921 -12.132   2.946
  168    H    TRP  24           H        TRP  24  -3.065  -6.744   0.196
  169    HA   TRP  24           HA       TRP  24  -5.705  -5.663   0.678
  170   1HB   TRP  24          2HB       TRP  24  -2.966  -4.520   0.522
  171   2HB   TRP  24          1HB       TRP  24  -4.350  -3.445   0.602
  172    HD1  TRP  24           HD1      TRP  24  -3.390  -6.729   2.408
  173    HE1  TRP  24           HE1      TRP  24  -3.844  -6.448   4.924
  174    HE3  TRP  24           HE3      TRP  24  -5.065  -1.858   2.506
  175    HZ2  TRP  24           HZ2      TRP  24  -4.786  -4.473   6.734
  176    HZ3  TRP  24           HZ3      TRP  24  -5.748  -0.847   4.662
  177    HH2  TRP  24           HH2      TRP  24  -5.600  -2.132   6.766
  178    H    ARG  25           H        ARG  25  -4.008  -6.300  -2.216
  179    HA   ARG  25           HA       ARG  25  -5.026  -4.082  -3.795
  180   1HB   ARG  25          2HB       ARG  25  -3.142  -5.375  -4.656
  181   2HB   ARG  25          1HB       ARG  25  -4.053  -6.878  -4.537
  182   1HG   ARG  25          2HG       ARG  25  -4.003  -6.125  -6.868
  183   2HG   ARG  25          1HG       ARG  25  -5.650  -6.019  -6.243
  184   1HD   ARG  25          2HD       ARG  25  -5.220  -3.594  -5.728
  185   2HD   ARG  25          1HD       ARG  25  -3.672  -3.749  -6.557
  186    HE   ARG  25           HE       ARG  25  -6.157  -4.444  -8.037
  187   1HH1  ARG  25          1HH2      ARG  25  -3.927  -4.397  -9.767
  188   2HH1  ARG  25          2HH2      ARG  25  -3.788  -2.754 -10.298
  189   1HH2  ARG  25          2HH1      ARG  25  -5.753  -1.481  -7.741
  190   2HH2  ARG  25          1HH1      ARG  25  -4.820  -1.104  -9.151
  191    H    CYS  26           H        CYS  26  -7.019  -3.988  -4.859
  192    HA   CYS  26           HA       CYS  26  -9.157  -4.662  -5.620
  193   1HB   CYS  26          2HB       CYS  26  -8.058  -7.157  -5.358
  194   2HB   CYS  26          1HB       CYS  26  -9.290  -7.208  -4.100
  195    H    ASP  27           H        ASP  27  -8.421  -5.830  -2.304
  196    HA   ASP  27           HA       ASP  27 -10.857  -4.450  -1.345
  197   1HB   ASP  27          2HB       ASP  27  -9.099  -6.579  -0.188
  198   2HB   ASP  27          1HB       ASP  27 -10.304  -5.746   0.775
  199    H    GLY  28           H        GLY  28  -7.797  -5.158   0.293
  200   1HA   GLY  28          2HA       GLY  28  -6.275  -3.767   1.397
  201   2HA   GLY  28          1HA       GLY  28  -6.676  -2.561   0.161
  202    H    GLN  29           H        GLN  29  -9.459  -3.550   1.929
  203    HA   GLN  29           HA       GLN  29 -10.815  -2.192   3.330
  204   1HB   GLN  29          2HB       GLN  29  -8.150  -1.421   4.592
  205   2HB   GLN  29          1HB       GLN  29  -9.725  -1.463   5.372
  206   1HG   GLN  29          2HG       GLN  29  -9.366  -4.029   4.343
  207   2HG   GLN  29          1HG       GLN  29  -7.805  -3.568   5.008
  208   1HE2  GLN  29          2HE2      GLN  29 -10.999  -3.639   7.610
  209   2HE2  GLN  29          1HE2      GLN  29 -11.265  -3.204   5.991
  210    H    VAL  30           H        VAL  30  -8.746   0.365   4.177
  211    HA   VAL  30           HA       VAL  30  -8.749   1.602   1.586
  212    HB   VAL  30           HB       VAL  30 -10.563   2.562   3.777
  213   1HG1  VAL  30          1HG1      VAL  30  -9.122   4.168   1.686
  214   2HG1  VAL  30          3HG1      VAL  30 -10.829   4.529   1.952
  215   3HG1  VAL  30          2HG1      VAL  30  -9.678   4.673   3.282
  216   1HG2  VAL  30          2HG2      VAL  30 -10.683   1.809   0.867
  217   2HG2  VAL  30          1HG2      VAL  30 -11.603   1.140   2.213
  218   3HG2  VAL  30          3HG2      VAL  30 -11.977   2.753   1.603
  219    H    ASP  31           H        ASP  31  -6.605   0.888   2.611
  220    HA   ASP  31           HA       ASP  31  -5.339   2.528   4.583
  221   1HB   ASP  31          2HB       ASP  31  -4.422   0.361   4.025
  222   2HB   ASP  31          1HB       ASP  31  -4.225   0.844   2.357
  223    H    CYS  32           H        CYS  32  -6.242   3.108   1.304
  224    HA   CYS  32           HA       CYS  32  -4.443   5.485   1.234
  225   1HB   CYS  32          2HB       CYS  32  -5.258   3.531  -0.858
  226   2HB   CYS  32          1HB       CYS  32  -5.141   5.215  -1.353
  227    H    ASP  33           H        ASP  33  -5.837   6.968   2.176
  228    HA   ASP  33           HA       ASP  33  -8.638   7.188   1.525
  229   1HB   ASP  33          2HB       ASP  33  -8.438   9.452   2.594
  230   2HB   ASP  33          1HB       ASP  33  -7.798   8.153   3.600
  231    H    ASN  34           H        ASN  34  -9.555   8.146  -0.242
  232    HA   ASN  34           HA       ASN  34  -9.726   9.305  -2.269
  233   1HB   ASN  34          2HB       ASN  34  -7.982  10.918  -0.603
  234   2HB   ASN  34          1HB       ASN  34  -7.635  11.128  -2.313
  235   1HD2  ASN  34          2HD2      ASN  34 -11.395  12.141  -0.962
  236   2HD2  ASN  34          1HD2      ASN  34 -10.528  10.927  -0.152
  237    H    GLY  35           H        GLY  35  -7.857   6.949  -1.864
  238   1HA   GLY  35          2HA       GLY  35  -5.963   7.483  -4.115
  239   2HA   GLY  35          1HA       GLY  35  -5.736   6.225  -2.903
  240    H    SER  36           H        SER  36  -6.176   4.198  -3.696
  241    HA   SER  36           HA       SER  36  -8.670   3.568  -4.942
  242   1HB   SER  36          2HB       SER  36  -7.335   2.904  -7.199
  243   2HB   SER  36          1HB       SER  36  -8.194   4.426  -6.998
  244    HG   SER  36           HG       SER  36  -6.350   5.425  -7.001
  245    H    ASP  37           H        ASP  37  -6.782   2.407  -2.915
  246    HA   ASP  37           HA       ASP  37  -5.452   0.111  -3.881
  247   1HB   ASP  37          2HB       ASP  37  -6.046  -0.884  -1.584
  248   2HB   ASP  37          1HB       ASP  37  -5.117   0.599  -1.596
  249    H    GLU  38           H        GLU  38  -8.861   0.765  -3.630
  250    HA   GLU  38           HA       GLU  38  -9.406  -1.978  -4.677
  251   1HB   GLU  38          2HB       GLU  38 -11.617  -1.855  -3.462
  252   2HB   GLU  38          1HB       GLU  38 -10.217  -1.986  -2.405
  253   1HG   GLU  38          2HG       GLU  38 -10.241   0.472  -2.082
  254   2HG   GLU  38          1HG       GLU  38 -11.673   0.577  -3.106
  255    H    GLN  39           H        GLN  39  -9.005  -0.243  -6.578
  256    HA   GLN  39           HA       GLN  39 -11.538   1.152  -7.229
  257   1HB   GLN  39          2HB       GLN  39  -9.185   2.209  -7.421
  258   2HB   GLN  39          1HB       GLN  39  -9.066   1.236  -8.878
  259   1HG   GLN  39          2HG       GLN  39 -10.858   2.343  -9.931
  260   2HG   GLN  39          1HG       GLN  39 -11.456   2.994  -8.404
  261   1HE2  GLN  39          2HE2      GLN  39  -9.826   5.980  -9.477
  262   2HE2  GLN  39          1HE2      GLN  39 -11.328   5.206  -9.321
  263    H    GLY  40           H        GLY  40  -9.203  -1.058  -8.780
  264   1HA   GLY  40          2HA       GLY  40 -11.248  -1.793 -10.790
  265   2HA   GLY  40          1HA       GLY  40  -9.555  -2.286 -10.813
  266    H    CYS  41           HN       CYS  41 -12.050  -2.583  -8.270
  267    HA   CYS  41           HA       CYS  41 -11.428  -5.499  -8.167
  268   1HB   CYS  41          2HB       CYS  41 -11.063  -3.933  -6.131
  269   2HB   CYS  41          1HB       CYS  41 -12.821  -3.929  -6.004
   
  No H/Q in entry =         269
  Start of MODEL           7
 Raw file had  276 H/Q atoms
  Start of MODEL    7
    1   1H    LEU   1          1H        LEU   1  10.238  -2.719 -13.652
    2   2H    LEU   1          3H        LEU   1  11.865  -2.357 -13.962
    3   3H    LEU   1          2H        LEU   1  11.052  -3.493 -14.926
    4    HA   LEU   1           HA       LEU   1  11.094  -5.121 -13.331
    5   1HB   LEU   1          2HB       LEU   1  13.556  -3.388 -13.063
    6   2HB   LEU   1          1HB       LEU   1  13.423  -4.956 -12.266
    7    HG   LEU   1           HG       LEU   1  12.669  -4.959 -15.129
    8   1HD1  LEU   1          1HD1      LEU   1  14.759  -3.372 -14.740
    9   2HD1  LEU   1          3HD1      LEU   1  15.611  -4.907 -14.568
   10   3HD1  LEU   1          2HD1      LEU   1  14.749  -4.538 -16.062
   11   1HD2  LEU   1          2HD2      LEU   1  14.466  -6.651 -13.360
   12   2HD2  LEU   1          1HD2      LEU   1  12.813  -7.027 -13.847
   13   3HD2  LEU   1          3HD2      LEU   1  14.104  -7.016 -15.047
   14    H    SER   2           H        SER   2  11.289  -1.893 -11.968
   15    HA   SER   2           HA       SER   2   9.900  -2.815  -9.554
   16   1HB   SER   2          2HB       SER   2  12.348  -3.187  -9.068
   17   2HB   SER   2          1HB       SER   2  12.597  -1.456  -9.276
   18    HG   SER   2           HG       SER   2  12.164  -1.556  -7.183
   19    H    VAL   3           H        VAL   3   9.462  -0.950 -11.812
   20    HA   VAL   3           HA       VAL   3   9.719   1.729 -10.770
   21    HB   VAL   3           HB       VAL   3   9.751   1.256 -13.194
   22   1HG1  VAL   3          3HG1      VAL   3   7.334  -0.192 -12.530
   23   2HG1  VAL   3          2HG1      VAL   3   6.995   0.999 -13.786
   24   3HG1  VAL   3          1HG1      VAL   3   8.259  -0.205 -14.031
   25   1HG2  VAL   3          1HG2      VAL   3   8.869   3.452 -12.124
   26   2HG2  VAL   3          3HG2      VAL   3   8.525   3.169 -13.829
   27   3HG2  VAL   3          2HG2      VAL   3   7.276   2.883 -12.618
   28    H    THR   4           H        THR   4   7.442  -0.805 -10.282
   29    HA   THR   4           HA       THR   4   5.357   1.146  -9.424
   30    HB   THR   4           HB       THR   4   4.017  -1.129  -9.262
   31    HG1  THR   4           HG1      THR   4   5.954  -1.727 -11.239
   32   1HG2  THR   4          3HG2      THR   4   3.960   0.915 -10.962
   33   2HG2  THR   4          2HG2      THR   4   4.610  -0.295 -12.070
   34   3HG2  THR   4          1HG2      THR   4   3.054  -0.564 -11.282
   35    H    CYS   5           H        CYS   5   5.989  -2.159  -8.276
   36    HA   CYS   5           HA       CYS   5   7.033  -1.366  -5.715
   37   1HB   CYS   5          2HB       CYS   5   4.379  -0.820  -5.894
   38   2HB   CYS   5          1HB       CYS   5   4.343  -2.468  -5.293
   39    H    LYS   6           H        LYS   6   8.139  -3.209  -7.191
   40    HA   LYS   6           HA       LYS   6   8.801  -5.458  -7.294
   41   1HB   LYS   6          2HB       LYS   6   7.512  -5.244  -4.582
   42   2HB   LYS   6          1HB       LYS   6   8.088  -6.804  -5.170
   43   1HG   LYS   6          2HG       LYS   6   9.931  -4.470  -5.428
   44   2HG   LYS   6          1HG       LYS   6   9.686  -5.141  -3.815
   45   1HD   LYS   6          2HD       LYS   6  10.233  -7.407  -4.720
   46   2HD   LYS   6          1HD       LYS   6  10.602  -6.658  -6.274
   47   1HE   LYS   6          2HE       LYS   6  12.535  -5.666  -5.499
   48   2HE   LYS   6          1HE       LYS   6  11.926  -5.528  -3.849
   49   1HZ   LYS   6          1HZ       LYS   6  12.661  -8.095  -5.143
   50   2HZ   LYS   6          3HZ       LYS   6  13.693  -7.215  -4.124
   51   3HZ   LYS   6          2HZ       LYS   6  12.241  -7.855  -3.514
   52    H    SER   7           H        SER   7   7.678  -7.834  -6.825
   53    HA   SER   7           HA       SER   7   5.149  -7.724  -8.399
   54   1HB   SER   7          2HB       SER   7   5.644  -9.996  -9.060
   55   2HB   SER   7          1HB       SER   7   7.118  -9.052  -9.257
   56    HG   SER   7           HG       SER   7   7.407 -11.080  -8.143
   57    H    GLY   8           H        GLY   8   4.888  -7.095  -5.689
   58   1HA   GLY   8          2HA       GLY   8   3.134  -9.293  -4.798
   59   2HA   GLY   8          1HA       GLY   8   4.457  -8.880  -3.704
   60    H    ASP   9           H        ASP   9   4.601  -6.188  -3.804
   61    HA   ASP   9           HA       ASP   9   2.305  -5.316  -2.277
   62   1HB   ASP   9          2HB       ASP   9   4.259  -3.423  -3.563
   63   2HB   ASP   9          1HB       ASP   9   3.449  -3.281  -2.009
   64    H    PHE  10           H        PHE  10   1.807  -2.755  -3.224
   65    HA   PHE  10           HA       PHE  10   1.334  -2.596  -6.005
   66   1HB   PHE  10          2HB       PHE  10  -0.651  -3.631  -6.374
   67   2HB   PHE  10          1HB       PHE  10  -0.439  -4.382  -4.804
   68    HD1  PHE  10           HD2      PHE  10  -1.836  -1.252  -6.382
   69    HD2  PHE  10           HD1      PHE  10  -2.081  -4.070  -3.144
   70    HE1  PHE  10           HE2      PHE  10  -3.916  -0.145  -5.583
   71    HE2  PHE  10           HE1      PHE  10  -4.159  -2.964  -2.362
   72    HZ   PHE  10           HZ       PHE  10  -5.079  -1.037  -3.554
   73    H    SER  11           H        SER  11   1.330  -0.440  -6.339
   74    HA   SER  11           HA       SER  11   0.821   1.429  -4.176
   75   1HB   SER  11          2HB       SER  11   2.354   2.218  -5.801
   76   2HB   SER  11          1HB       SER  11   1.330   1.711  -7.141
   77    HG   SER  11           HG       SER  11   0.952   3.855  -5.327
   78    H    CYS  12           H        CYS  12  -1.118   2.401  -3.687
   79    HA   CYS  12           HA       CYS  12  -3.593   1.362  -4.338
   80   1HB   CYS  12          2HB       CYS  12  -2.950   4.234  -3.769
   81   2HB   CYS  12          1HB       CYS  12  -4.535   3.508  -3.612
   82    H    GLY  13           H        GLY  13  -1.977   4.076  -5.999
   83   1HA   GLY  13          2HA       GLY  13  -2.744   3.552  -8.604
   84   2HA   GLY  13          1HA       GLY  13  -4.127   4.414  -7.930
   85    H    GLY  14           H        GLY  14  -0.667   4.864  -7.274
   86   1HA   GLY  14          2HA       GLY  14   0.263   6.872  -8.737
   87   2HA   GLY  14          1HA       GLY  14  -0.998   7.753  -7.871
   88    H    ARG  15           H        ARG  15   1.184   8.893  -7.241
   89    HA   ARG  15           HA       ARG  15   2.702   9.419  -5.538
   90   1HB   ARG  15          2HB       ARG  15   0.904   7.528  -3.991
   91   2HB   ARG  15          1HB       ARG  15   2.133   8.563  -3.263
   92   1HG   ARG  15          2HG       ARG  15   0.937  10.494  -3.647
   93   2HG   ARG  15          1HG       ARG  15   0.164   9.853  -5.096
   94   1HD   ARG  15          2HD       ARG  15  -1.604   9.059  -3.927
   95   2HD   ARG  15          1HD       ARG  15  -0.574   8.380  -2.668
   96    HE   ARG  15           HE       ARG  15  -0.426  10.971  -2.002
   97   1HH1  ARG  15          1HH2      ARG  15  -2.600  12.101  -3.378
   98   2HH1  ARG  15          2HH2      ARG  15  -4.001  11.724  -2.431
   99   1HH2  ARG  15          2HH1      ARG  15  -2.450   9.184  -0.655
  100   2HH2  ARG  15          1HH1      ARG  15  -3.917  10.075  -0.891
  101    H    VAL  16           H        VAL  16   4.666   8.589  -6.124
  102    HA   VAL  16           HA       VAL  16   5.335   5.868  -6.429
  103    HB   VAL  16           HB       VAL  16   6.690   7.703  -7.347
  104   1HG1  VAL  16          1HG1      VAL  16   7.190   8.278  -4.422
  105   2HG1  VAL  16          3HG1      VAL  16   8.258   8.873  -5.693
  106   3HG1  VAL  16          2HG1      VAL  16   6.568   9.372  -5.657
  107   1HG2  VAL  16          3HG2      VAL  16   7.647   5.357  -6.494
  108   2HG2  VAL  16          2HG2      VAL  16   8.715   6.596  -7.154
  109   3HG2  VAL  16          1HG2      VAL  16   8.563   6.402  -5.408
  110    H    ASN  17           H        ASN  17   5.132   7.834  -3.543
  111    HA   ASN  17           HA       ASN  17   6.614   5.865  -1.919
  112   1HB   ASN  17          2HB       ASN  17   5.128   8.371  -1.080
  113   2HB   ASN  17          1HB       ASN  17   6.225   7.428  -0.071
  114   1HD2  ASN  17          2HD2      ASN  17   8.027  10.325  -1.777
  115   2HD2  ASN  17          1HD2      ASN  17   6.566  10.265  -0.915
  116    H    ARG  18           H        ARG  18   5.588   4.985   0.066
  117    HA   ARG  18           HA       ARG  18   3.912   3.779   1.160
  118   1HB   ARG  18          2HB       ARG  18   2.793   6.079   1.072
  119   2HB   ARG  18          1HB       ARG  18   1.906   5.479  -0.330
  120   1HG   ARG  18          2HG       ARG  18   1.543   3.412   1.418
  121   2HG   ARG  18          1HG       ARG  18   1.614   4.777   2.533
  122   1HD   ARG  18          2HD       ARG  18  -0.053   5.108   0.083
  123   2HD   ARG  18          1HD       ARG  18  -0.671   4.039   1.343
  124    HE   ARG  18           HE       ARG  18   0.213   6.494   2.528
  125   1HH1  ARG  18          2HH1      ARG  18  -2.416   5.099   3.049
  126   2HH1  ARG  18          1HH1      ARG  18  -3.550   6.246   2.420
  127   1HH2  ARG  18          1HH2      ARG  18  -1.165   8.003   0.614
  128   2HH2  ARG  18          2HH2      ARG  18  -2.841   7.893   1.040
  129    H    CYS  19           H        CYS  19   2.902   1.844   0.741
  130    HA   CYS  19           HA       CYS  19   1.848   1.323  -1.969
  131   1HB   CYS  19          2HB       CYS  19   4.358   0.316  -0.936
  132   2HB   CYS  19          1HB       CYS  19   3.275  -0.992  -1.380
  133    H    ILE  20           H        ILE  20   1.084  -1.196  -1.864
  134    HA   ILE  20           HA       ILE  20  -0.240  -1.654   0.774
  135    HB   ILE  20           HB       ILE  20  -1.540  -1.795  -1.968
  136   1HG1  ILE  20          2HG1      ILE  20  -1.134   0.491  -1.131
  137   2HG1  ILE  20          1HG1      ILE  20  -2.853   0.116  -1.232
  138   1HG2  ILE  20          2HG2      ILE  20  -2.718  -2.245   0.790
  139   2HG2  ILE  20          1HG2      ILE  20  -3.654  -2.139  -0.690
  140   3HG2  ILE  20          3HG2      ILE  20  -2.520  -3.470  -0.465
  141   1HD1  ILE  20          1HD1      ILE  20  -2.862  -0.477   1.180
  142   2HD1  ILE  20          3HD1      ILE  20  -1.166  -0.018   1.291
  143   3HD1  ILE  20          2HD1      ILE  20  -2.385   1.198   0.924
  144    HA   PRO  21           HA       PRO  21   1.424  -5.704   0.063
  145   1HB   PRO  21          2HB       PRO  21  -0.192  -7.158   1.765
  146   2HB   PRO  21          1HB       PRO  21   1.189  -6.197   2.296
  147   1HG   PRO  21          2HG       PRO  21  -1.700  -5.559   2.481
  148   2HG   PRO  21          1HG       PRO  21  -0.392  -5.087   3.560
  149   1HD   PRO  21          2HD       PRO  21  -1.572  -3.434   1.686
  150   2HD   PRO  21          1HD       PRO  21   0.041  -3.198   2.357
  151    H    GLN  22           H        GLN  22   0.860  -7.755  -0.899
  152    HA   GLN  22           HA       GLN  22  -0.993  -7.702  -3.021
  153   1HB   GLN  22          2HB       GLN  22  -0.731 -10.187  -3.016
  154   2HB   GLN  22          1HB       GLN  22   0.793  -9.327  -2.910
  155   1HG   GLN  22          2HG       GLN  22   1.151 -10.841  -1.231
  156   2HG   GLN  22          1HG       GLN  22   0.341  -9.592  -0.295
  157   1HE2  GLN  22          2HE2      GLN  22  -1.752 -12.316   0.707
  158   2HE2  GLN  22          1HE2      GLN  22  -0.438 -11.350   1.175
  159    H    PHE  23           H        PHE  23  -1.332  -8.807   0.260
  160    HA   PHE  23           HA       PHE  23  -3.889 -10.033   0.055
  161   1HB   PHE  23          2HB       PHE  23  -2.243 -10.152   1.998
  162   2HB   PHE  23          1HB       PHE  23  -2.917  -8.605   2.484
  163    HD1  PHE  23           HD2      PHE  23  -4.009 -12.035   1.464
  164    HD2  PHE  23           HD1      PHE  23  -4.830  -8.546   3.830
  165    HE1  PHE  23           HE2      PHE  23  -5.957 -13.185   2.482
  166    HE2  PHE  23           HE1      PHE  23  -6.779  -9.694   4.846
  167    HZ   PHE  23           HZ       PHE  23  -7.343 -12.013   4.173
  168    H    TRP  24           H        TRP  24  -2.990  -6.620   0.777
  169    HA   TRP  24           HA       TRP  24  -5.775  -5.877   1.127
  170   1HB   TRP  24          2HB       TRP  24  -3.165  -4.464   1.025
  171   2HB   TRP  24          1HB       TRP  24  -4.660  -3.538   1.038
  172    HD1  TRP  24           HD1      TRP  24  -3.456  -6.684   2.971
  173    HE1  TRP  24           HE1      TRP  24  -3.973  -6.324   5.475
  174    HE3  TRP  24           HE3      TRP  24  -5.356  -1.945   2.809
  175    HZ2  TRP  24           HZ2      TRP  24  -5.047  -4.298   7.183
  176    HZ3  TRP  24           HZ3      TRP  24  -6.123  -0.829   4.890
  177    HH2  TRP  24           HH2      TRP  24  -5.960  -1.994   7.073
  178    H    ARG  25           H        ARG  25  -4.015  -6.650  -1.619
  179    HA   ARG  25           HA       ARG  25  -5.047  -4.599  -3.423
  180   1HB   ARG  25          2HB       ARG  25  -2.989  -5.764  -4.030
  181   2HB   ARG  25          1HB       ARG  25  -3.781  -7.329  -3.887
  182   1HG   ARG  25          2HG       ARG  25  -3.640  -6.814  -6.235
  183   2HG   ARG  25          1HG       ARG  25  -5.326  -6.618  -5.767
  184   1HD   ARG  25          2HD       ARG  25  -5.042  -4.200  -5.609
  185   2HD   ARG  25          1HD       ARG  25  -3.319  -4.358  -5.945
  186    HE   ARG  25           HE       ARG  25  -5.464  -4.487  -7.920
  187   1HH1  ARG  25          1HH2      ARG  25  -4.503  -6.778  -9.000
  188   2HH1  ARG  25          2HH2      ARG  25  -3.001  -6.412  -9.781
  189   1HH2  ARG  25          2HH1      ARG  25  -2.549  -3.417  -8.089
  190   2HH2  ARG  25          1HH1      ARG  25  -1.892  -4.509  -9.262
  191    H    CYS  26           H        CYS  26  -6.758  -4.931  -4.936
  192    HA   CYS  26           HA       CYS  26  -8.721  -5.881  -5.838
  193   1HB   CYS  26          2HB       CYS  26  -8.600  -8.069  -3.739
  194   2HB   CYS  26          1HB       CYS  26  -9.544  -8.049  -5.223
  195    H    ASP  27           H        ASP  27  -8.510  -6.243  -2.286
  196    HA   ASP  27           HA       ASP  27 -11.145  -4.989  -1.986
  197   1HB   ASP  27          2HB       ASP  27  -9.174  -6.237  -0.106
  198   2HB   ASP  27          1HB       ASP  27 -10.565  -5.342   0.486
  199    H    GLY  28           H        GLY  28  -8.108  -4.520  -0.231
  200   1HA   GLY  28          2HA       GLY  28  -6.751  -2.535  -0.188
  201   2HA   GLY  28          1HA       GLY  28  -8.058  -1.649  -0.977
  202    H    GLN  29           H        GLN  29 -10.065  -2.831   0.936
  203    HA   GLN  29           HA       GLN  29 -11.100  -2.015   2.897
  204   1HB   GLN  29          2HB       GLN  29  -8.257  -1.698   3.946
  205   2HB   GLN  29          1HB       GLN  29  -9.715  -1.977   4.884
  206   1HG   GLN  29          2HG       GLN  29  -9.780  -4.125   3.255
  207   2HG   GLN  29          1HG       GLN  29  -8.048  -3.856   3.386
  208   1HE2  GLN  29          2HE2      GLN  29 -10.137  -5.009   6.719
  209   2HE2  GLN  29          1HE2      GLN  29 -10.973  -4.417   5.366
  210    H    VAL  30           H        VAL  30  -8.734   0.125   4.103
  211    HA   VAL  30           HA       VAL  30  -9.153   2.106   2.056
  212    HB   VAL  30           HB       VAL  30 -10.294   2.407   4.824
  213   1HG1  VAL  30          3HG1      VAL  30  -9.308   4.481   2.889
  214   2HG1  VAL  30          2HG1      VAL  30 -10.854   4.788   3.679
  215   3HG1  VAL  30          1HG1      VAL  30  -9.398   4.559   4.649
  216   1HG2  VAL  30          1HG2      VAL  30 -11.237   2.510   1.961
  217   2HG2  VAL  30          3HG2      VAL  30 -11.771   1.424   3.243
  218   3HG2  VAL  30          2HG2      VAL  30 -12.226   3.127   3.286
  219    H    ASP  31           H        ASP  31  -6.948   0.956   2.374
  220    HA   ASP  31           HA       ASP  31  -5.211   2.316   4.319
  221   1HB   ASP  31          2HB       ASP  31  -5.202  -0.164   2.992
  222   2HB   ASP  31          1HB       ASP  31  -3.840   0.696   2.388
  223    H    CYS  32           H        CYS  32  -6.612   3.493   1.713
  224    HA   CYS  32           HA       CYS  32  -4.118   4.780   0.696
  225   1HB   CYS  32          2HB       CYS  32  -6.596   4.105  -0.941
  226   2HB   CYS  32          1HB       CYS  32  -5.090   4.798  -1.543
  227    H    ASP  33           H        ASP  33  -6.562   5.434   2.657
  228    HA   ASP  33           HA       ASP  33  -7.832   7.330   3.207
  229   1HB   ASP  33          2HB       ASP  33  -5.581   8.668   1.672
  230   2HB   ASP  33          1HB       ASP  33  -6.688   9.482   2.779
  231    H    ASN  34           H        ASN  34  -9.243   6.206   1.357
  232    HA   ASN  34           HA       ASN  34 -10.733   6.542  -0.421
  233   1HB   ASN  34          2HB       ASN  34 -10.540   8.988   0.923
  234   2HB   ASN  34          1HB       ASN  34 -10.374   9.384  -0.780
  235   1HD2  ASN  34          2HD2      ASN  34 -13.989   8.305   0.660
  236   2HD2  ASN  34          1HD2      ASN  34 -12.639   8.498   1.672
  237    H    GLY  35           H        GLY  35  -7.775   6.196  -0.816
  238   1HA   GLY  35          2HA       GLY  35  -6.958   7.786  -3.079
  239   2HA   GLY  35          1HA       GLY  35  -6.189   6.295  -2.538
  240    H    SER  36           H        SER  36  -6.426   4.539  -3.847
  241    HA   SER  36           HA       SER  36  -8.873   4.219  -5.446
  242   1HB   SER  36          2HB       SER  36  -7.143   3.828  -7.475
  243   2HB   SER  36          1HB       SER  36  -7.914   5.380  -7.166
  244    HG   SER  36           HG       SER  36  -6.087   6.118  -6.256
  245    H    ASP  37           H        ASP  37  -7.286   2.680  -3.332
  246    HA   ASP  37           HA       ASP  37  -5.967   0.448  -4.434
  247   1HB   ASP  37          2HB       ASP  37  -7.162  -0.817  -2.433
  248   2HB   ASP  37          1HB       ASP  37  -5.857   0.304  -2.133
  249    H    GLU  38           H        GLU  38  -9.383   1.181  -4.315
  250    HA   GLU  38           HA       GLU  38 -10.145  -1.508  -5.272
  251   1HB   GLU  38          2HB       GLU  38 -12.457  -0.535  -5.273
  252   2HB   GLU  38          1HB       GLU  38 -11.658  -0.416  -3.707
  253   1HG   GLU  38          2HG       GLU  38 -11.679   1.844  -3.749
  254   2HG   GLU  38          1HG       GLU  38 -11.092   1.898  -5.411
  255    H    GLN  39           H        GLN  39  -8.750  -1.206  -7.257
  256    HA   GLN  39           HA       GLN  39  -9.975   0.569  -9.295
  257   1HB   GLN  39          2HB       GLN  39  -7.405   0.351  -8.677
  258   2HB   GLN  39          1HB       GLN  39  -7.524  -0.991  -9.802
  259   1HG   GLN  39          2HG       GLN  39  -8.765   1.587 -10.623
  260   2HG   GLN  39          1HG       GLN  39  -7.004   1.493 -10.646
  261   1HE2  GLN  39          2HE2      GLN  39  -8.430   0.272 -13.935
  262   2HE2  GLN  39          1HE2      GLN  39  -8.658   1.697 -13.043
  263    H    GLY  40           H        GLY  40  -9.050  -2.805  -8.694
  264   1HA   GLY  40          2HA       GLY  40 -11.141  -4.141  -9.812
  265   2HA   GLY  40          1HA       GLY  40 -10.217  -3.691 -11.244
  266    H    CYS  41           HN       CYS  41 -10.665  -6.165  -9.133
  267    HA   CYS  41           HA       CYS  41  -7.832  -7.042  -9.053
  268   1HB   CYS  41          2HB       CYS  41  -9.399  -7.275  -7.062
  269   2HB   CYS  41          1HB       CYS  41 -10.259  -8.504  -7.984
   
  No H/Q in entry =         269
  Start of MODEL           8
 Raw file had  276 H/Q atoms
  Start of MODEL    8
    1   1H    LEU   1          2H        LEU   1  14.465  -5.363   4.170
    2   2H    LEU   1          1H        LEU   1  15.194  -4.367   5.336
    3   3H    LEU   1          3H        LEU   1  13.737  -5.159   5.692
    4    HA   LEU   1           HA       LEU   1  12.478  -3.775   4.347
    5   1HB   LEU   1          2HB       LEU   1  14.748  -2.165   5.548
    6   2HB   LEU   1          1HB       LEU   1  13.248  -1.458   4.947
    7    HG   LEU   1           HG       LEU   1  12.177  -3.324   6.532
    8   1HD1  LEU   1          3HD1      LEU   1  15.014  -3.045   7.378
    9   2HD1  LEU   1          2HD1      LEU   1  13.811  -3.026   8.667
   10   3HD1  LEU   1          1HD1      LEU   1  13.909  -4.406   7.574
   11   1HD2  LEU   1          3HD2      LEU   1  13.257  -0.593   7.235
   12   2HD2  LEU   1          2HD2      LEU   1  11.599  -1.047   6.843
   13   3HD2  LEU   1          1HD2      LEU   1  12.303  -1.526   8.388
   14    H    SER   2           H        SER   2  15.925  -3.088   3.710
   15    HA   SER   2           HA       SER   2  17.021  -2.417   1.762
   16   1HB   SER   2          2HB       SER   2  16.520  -3.646  -0.174
   17   2HB   SER   2          1HB       SER   2  15.920  -4.681   1.115
   18    HG   SER   2           HG       SER   2  14.547  -3.989  -0.873
   19    H    VAL   3           H        VAL   3  16.509  -1.318  -0.514
   20    HA   VAL   3           HA       VAL   3  15.231   1.169   0.085
   21    HB   VAL   3           HB       VAL   3  17.173   0.948  -1.434
   22   1HG1  VAL   3          3HG1      VAL   3  15.625  -1.110  -2.589
   23   2HG1  VAL   3          2HG1      VAL   3  15.728   0.150  -3.817
   24   3HG1  VAL   3          1HG1      VAL   3  17.201  -0.530  -3.128
   25   1HG2  VAL   3          1HG2      VAL   3  15.527   2.867  -1.593
   26   2HG2  VAL   3          3HG2      VAL   3  16.435   2.551  -3.071
   27   3HG2  VAL   3          2HG2      VAL   3  14.763   2.011  -2.931
   28    H    THR   4           H        THR   4  13.477   2.112  -1.328
   29    HA   THR   4           HA       THR   4  11.268   2.087  -2.065
   30    HB   THR   4           HB       THR   4  10.722   0.610  -3.832
   31    HG1  THR   4           HG1      THR   4  11.080  -1.417  -3.579
   32   1HG2  THR   4          2HG2      THR   4  12.797   2.073  -4.151
   33   2HG2  THR   4          1HG2      THR   4  13.741   0.601  -3.920
   34   3HG2  THR   4          3HG2      THR   4  12.611   0.720  -5.268
   35    H    CYS   5           H        CYS   5   9.382   0.102  -2.341
   36    HA   CYS   5           HA       CYS   5   8.955  -0.662   0.478
   37   1HB   CYS   5          2HB       CYS   5   7.275  -0.137  -1.865
   38   2HB   CYS   5          1HB       CYS   5   6.693  -1.432  -0.830
   39    H    LYS   6           H        LYS   6  10.828  -2.144  -1.438
   40    HA   LYS   6           HA       LYS   6  11.399  -4.368  -1.879
   41   1HB   LYS   6          2HB       LYS   6   9.525  -4.578   0.452
   42   2HB   LYS   6          1HB       LYS   6  10.000  -6.054  -0.383
   43   1HG   LYS   6          2HG       LYS   6  12.361  -4.480  -0.017
   44   2HG   LYS   6          1HG       LYS   6  11.504  -4.519   1.524
   45   1HD   LYS   6          2HD       LYS   6  11.958  -7.032  -0.086
   46   2HD   LYS   6          1HD       LYS   6  13.166  -6.436   1.051
   47   1HE   LYS   6          2HE       LYS   6  12.029  -7.515   2.674
   48   2HE   LYS   6          1HE       LYS   6  10.747  -6.322   2.469
   49   1HZ   LYS   6          2HZ       LYS   6  10.062  -7.848   0.513
   50   2HZ   LYS   6          1HZ       LYS   6  10.965  -9.028   1.339
   51   3HZ   LYS   6          3HZ       LYS   6   9.643  -8.286   2.101
   52    H    SER   7           H        SER   7  10.252  -6.591  -2.504
   53    HA   SER   7           HA       SER   7   8.250  -5.875  -4.556
   54   1HB   SER   7          2HB       SER   7  10.101  -8.159  -4.064
   55   2HB   SER   7          1HB       SER   7   8.618  -8.505  -4.950
   56    HG   SER   7           HG       SER   7  10.031  -7.854  -6.479
   57    H    GLY   8           H        GLY   8   6.357  -7.377  -4.864
   58   1HA   GLY   8          2HA       GLY   8   4.631  -8.794  -4.011
   59   2HA   GLY   8          1HA       GLY   8   5.418  -8.768  -2.436
   60    H    ASP   9           H        ASP   9   5.383  -5.593  -3.295
   61    HA   ASP   9           HA       ASP   9   2.924  -5.089  -1.726
   62   1HB   ASP   9          2HB       ASP   9   4.863  -3.002  -2.705
   63   2HB   ASP   9          1HB       ASP   9   3.806  -2.947  -1.304
   64    H    PHE  10           H        PHE  10   2.337  -2.538  -2.684
   65    HA   PHE  10           HA       PHE  10   2.169  -2.397  -5.513
   66   1HB   PHE  10          2HB       PHE  10   0.178  -3.395  -6.057
   67   2HB   PHE  10          1HB       PHE  10   0.432  -4.292  -4.570
   68    HD1  PHE  10           HD2      PHE  10  -1.361  -1.431  -6.106
   69    HD2  PHE  10           HD1      PHE  10  -0.988  -3.909  -2.613
   70    HE1  PHE  10           HE2      PHE  10  -3.487  -0.492  -5.223
   71    HE2  PHE  10           HE1      PHE  10  -3.114  -2.970  -1.739
   72    HZ   PHE  10           HZ       PHE  10  -4.363  -1.296  -3.032
   73    H    SER  11           H        SER  11   1.708  -0.277  -6.066
   74    HA   SER  11           HA       SER  11   1.124   1.603  -3.901
   75   1HB   SER  11          2HB       SER  11   2.546   2.527  -5.540
   76   2HB   SER  11          1HB       SER  11   1.611   1.848  -6.868
   77    HG   SER  11           HG       SER  11   0.108   3.397  -6.614
   78    H    CYS  12           H        CYS  12  -0.910   2.529  -3.501
   79    HA   CYS  12           HA       CYS  12  -3.272   1.169  -4.036
   80   1HB   CYS  12          2HB       CYS  12  -3.081   4.157  -3.801
   81   2HB   CYS  12          1HB       CYS  12  -4.471   3.169  -3.427
   82    H    GLY  13           H        GLY  13  -2.275   4.147  -5.756
   83   1HA   GLY  13          2HA       GLY  13  -2.775   3.269  -8.379
   84   2HA   GLY  13          1HA       GLY  13  -4.296   3.929  -7.784
   85    H    GLY  14           H        GLY  14  -0.839   4.794  -7.789
   86   1HA   GLY  14          2HA       GLY  14  -0.130   6.841  -9.007
   87   2HA   GLY  14          1HA       GLY  14  -1.649   7.582  -8.501
   88    H    ARG  15           H        ARG  15   0.706   5.678  -6.618
   89    HA   ARG  15           HA       ARG  15   1.678   8.014  -5.172
   90   1HB   ARG  15          2HB       ARG  15  -0.612   6.468  -4.154
   91   2HB   ARG  15          1HB       ARG  15   0.709   6.608  -2.995
   92   1HG   ARG  15          2HG       ARG  15   0.663   9.152  -3.789
   93   2HG   ARG  15          1HG       ARG  15  -1.011   8.750  -4.177
   94   1HD   ARG  15          2HD       ARG  15  -1.547   8.263  -1.947
   95   2HD   ARG  15          1HD       ARG  15   0.137   7.992  -1.502
   96    HE   ARG  15           HE       ARG  15  -0.853  10.732  -2.177
   97   1HH1  ARG  15          2HH1      ARG  15  -0.413   8.776   0.479
   98   2HH1  ARG  15          1HH1      ARG  15   0.696   9.820   1.302
   99   1HH2  ARG  15          1HH2      ARG  15   1.099  11.961  -1.396
  100   2HH2  ARG  15          2HH2      ARG  15   1.555  11.621   0.240
  101    H    VAL  16           H        VAL  16   3.550   6.791  -6.152
  102    HA   VAL  16           HA       VAL  16   4.311   4.194  -5.347
  103    HB   VAL  16           HB       VAL  16   5.384   5.410  -7.205
  104   1HG1  VAL  16          1HG1      VAL  16   5.389   7.614  -5.844
  105   2HG1  VAL  16          3HG1      VAL  16   6.901   7.021  -5.158
  106   3HG1  VAL  16          2HG1      VAL  16   6.768   7.293  -6.896
  107   1HG2  VAL  16          3HG2      VAL  16   6.593   3.550  -6.059
  108   2HG2  VAL  16          2HG2      VAL  16   7.691   4.750  -6.741
  109   3HG2  VAL  16          1HG2      VAL  16   7.366   4.738  -5.008
  110    H    ASN  17           H        ASN  17   4.488   7.245  -3.656
  111    HA   ASN  17           HA       ASN  17   6.487   6.590  -1.727
  112   1HB   ASN  17          2HB       ASN  17   5.302   8.859  -2.220
  113   2HB   ASN  17          1HB       ASN  17   4.089   8.292  -1.073
  114   1HD2  ASN  17          2HD2      ASN  17   6.063   9.251   1.666
  115   2HD2  ASN  17          1HD2      ASN  17   4.517   9.008   1.011
  116    H    ARG  18           H        ARG  18   2.992   5.951  -1.812
  117    HA   ARG  18           HA       ARG  18   3.273   4.450   0.757
  118   1HB   ARG  18          2HB       ARG  18   1.519   6.265   0.587
  119   2HB   ARG  18          1HB       ARG  18   0.708   5.275  -0.627
  120   1HG   ARG  18          2HG       ARG  18   1.004   3.400   1.253
  121   2HG   ARG  18          1HG       ARG  18   1.001   4.813   2.307
  122   1HD   ARG  18          2HD       ARG  18  -1.112   4.336   0.195
  123   2HD   ARG  18          1HD       ARG  18  -1.280   3.789   1.862
  124    HE   ARG  18           HE       ARG  18  -1.447   6.567   0.937
  125   1HH1  ARG  18          1HH2      ARG  18   0.500   6.505   3.223
  126   2HH1  ARG  18          2HH2      ARG  18  -0.544   6.700   4.589
  127   1HH2  ARG  18          2HH1      ARG  18  -3.428   5.909   2.835
  128   2HH2  ARG  18          1HH1      ARG  18  -2.768   6.361   4.371
  129    H    CYS  19           H        CYS  19   3.198   2.256   0.680
  130    HA   CYS  19           HA       CYS  19   2.153   0.973  -1.801
  131   1HB   CYS  19          2HB       CYS  19   3.821  -0.815  -1.322
  132   2HB   CYS  19          1HB       CYS  19   4.576   0.738  -1.639
  133    H    ILE  20           H        ILE  20   1.480  -1.367  -1.350
  134    HA   ILE  20           HA       ILE  20   0.564  -1.917   1.405
  135    HB   ILE  20           HB       ILE  20  -1.648  -2.653  -0.268
  136   1HG1  ILE  20          2HG1      ILE  20  -0.795   0.242  -0.625
  137   2HG1  ILE  20          1HG1      ILE  20  -1.111  -0.942  -1.883
  138   1HG2  ILE  20          3HG2      ILE  20  -1.361  -1.904   2.244
  139   2HG2  ILE  20          2HG2      ILE  20  -1.763  -0.314   1.594
  140   3HG2  ILE  20          1HG2      ILE  20  -2.891  -1.657   1.401
  141   1HD1  ILE  20          3HD1      ILE  20  -3.500  -1.074  -0.854
  142   2HD1  ILE  20          2HD1      ILE  20  -3.085   0.464  -0.099
  143   3HD1  ILE  20          1HD1      ILE  20  -3.095   0.320  -1.857
  144    HA   PRO  21           HA       PRO  21   1.502  -6.035   0.146
  145   1HB   PRO  21          2HB       PRO  21  -0.469  -7.560   1.318
  146   2HB   PRO  21          1HB       PRO  21   0.873  -6.846   2.212
  147   1HG   PRO  21          2HG       PRO  21  -1.947  -5.976   2.090
  148   2HG   PRO  21          1HG       PRO  21  -0.794  -5.790   3.406
  149   1HD   PRO  21          2HD       PRO  21  -1.575  -3.787   1.627
  150   2HD   PRO  21          1HD       PRO  21  -0.122  -3.755   2.630
  151    H    GLN  22           H        GLN  22   0.754  -7.918  -1.161
  152    HA   GLN  22           HA       GLN  22  -0.837  -7.139  -3.402
  153   1HB   GLN  22          2HB       GLN  22   0.719  -9.416  -2.598
  154   2HB   GLN  22          1HB       GLN  22  -0.787  -9.946  -3.333
  155   1HG   GLN  22          2HG       GLN  22  -0.277  -8.281  -5.213
  156   2HG   GLN  22          1HG       GLN  22   1.346  -8.172  -4.531
  157   1HE2  GLN  22          2HE2      GLN  22   2.185 -10.932  -6.579
  158   2HE2  GLN  22          1HE2      GLN  22   2.467  -9.298  -6.217
  159    H    PHE  23           H        PHE  23  -1.622  -8.671  -0.359
  160    HA   PHE  23           HA       PHE  23  -4.179  -9.726  -1.149
  161   1HB   PHE  23          2HB       PHE  23  -2.772 -10.305   0.928
  162   2HB   PHE  23          1HB       PHE  23  -3.508  -8.869   1.620
  163    HD1  PHE  23           HD1      PHE  23  -6.071  -8.673   1.591
  164    HD2  PHE  23           HD2      PHE  23  -3.966 -12.346   0.864
  165    HE1  PHE  23           HE1      PHE  23  -8.138  -9.954   2.077
  166    HE2  PHE  23           HE2      PHE  23  -6.034 -13.627   1.349
  167    HZ   PHE  23           HZ       PHE  23  -8.120 -12.430   1.954
  168    H    TRP  24           H        TRP  24  -3.081  -6.580   0.010
  169    HA   TRP  24           HA       TRP  24  -5.804  -5.609   0.420
  170   1HB   TRP  24          2HB       TRP  24  -3.081  -4.445   0.598
  171   2HB   TRP  24          1HB       TRP  24  -4.457  -3.360   0.547
  172    HD1  TRP  24           HD1      TRP  24  -3.792  -6.722   2.337
  173    HE1  TRP  24           HE1      TRP  24  -4.507  -6.505   4.799
  174    HE3  TRP  24           HE3      TRP  24  -5.250  -1.790   2.436
  175    HZ2  TRP  24           HZ2      TRP  24  -5.556  -4.547   6.570
  176    HZ3  TRP  24           HZ3      TRP  24  -6.124  -0.820   4.541
  177    HH2  TRP  24           HH2      TRP  24  -6.261  -2.173   6.601
  178    H    ARG  25           H        ARG  25  -4.200  -6.335  -2.371
  179    HA   ARG  25           HA       ARG  25  -4.838  -3.956  -3.941
  180   1HB   ARG  25          2HB       ARG  25  -2.993  -5.472  -4.606
  181   2HB   ARG  25          1HB       ARG  25  -4.139  -6.798  -4.787
  182   1HG   ARG  25          2HG       ARG  25  -3.864  -6.009  -6.992
  183   2HG   ARG  25          1HG       ARG  25  -5.357  -5.232  -6.470
  184   1HD   ARG  25          2HD       ARG  25  -4.309  -3.148  -6.156
  185   2HD   ARG  25          1HD       ARG  25  -2.702  -3.871  -6.075
  186    HE   ARG  25           HE       ARG  25  -2.980  -4.351  -8.554
  187   1HH1  ARG  25          2HH1      ARG  25  -5.355  -3.749  -9.656
  188   2HH1  ARG  25          1HH1      ARG  25  -5.427  -2.036  -9.897
  189   1HH2  ARG  25          1HH2      ARG  25  -2.843  -1.348  -7.693
  190   2HH2  ARG  25          2HH2      ARG  25  -4.007  -0.678  -8.786
  191    H    CYS  26           H        CYS  26  -6.702  -3.641  -5.129
  192    HA   CYS  26           HA       CYS  26  -8.802  -4.071  -6.108
  193   1HB   CYS  26          2HB       CYS  26  -7.963  -6.602  -6.123
  194   2HB   CYS  26          1HB       CYS  26  -9.121  -6.745  -4.800
  195    H    ASP  27           H        ASP  27  -8.435  -5.428  -2.810
  196    HA   ASP  27           HA       ASP  27 -10.937  -4.081  -2.017
  197   1HB   ASP  27          2HB       ASP  27  -9.163  -6.135  -0.759
  198   2HB   ASP  27          1HB       ASP  27 -10.362  -5.281   0.196
  199    H    GLY  28           H        GLY  28  -7.914  -4.603  -0.251
  200   1HA   GLY  28          2HA       GLY  28  -6.376  -3.092   0.663
  201   2HA   GLY  28          1HA       GLY  28  -7.087  -1.844  -0.359
  202    H    GLN  29           H        GLN  29  -9.658  -3.100   1.348
  203    HA   GLN  29           HA       GLN  29 -10.945  -2.050   3.036
  204   1HB   GLN  29          2HB       GLN  29  -8.257  -1.594   4.384
  205   2HB   GLN  29          1HB       GLN  29  -9.819  -1.778   5.161
  206   1HG   GLN  29          2HG       GLN  29  -9.582  -4.080   3.666
  207   2HG   GLN  29          1HG       GLN  29  -7.948  -3.785   4.244
  208   1HE2  GLN  29          2HE2      GLN  29 -10.836  -4.191   7.154
  209   2HE2  GLN  29          1HE2      GLN  29 -11.219  -3.364   5.722
  210    H    VAL  30           H        VAL  30  -8.646   0.223   4.239
  211    HA   VAL  30           HA       VAL  30  -8.877   2.007   2.010
  212    HB   VAL  30           HB       VAL  30 -10.478   2.407   4.509
  213   1HG1  VAL  30          1HG1      VAL  30  -9.083   4.518   2.914
  214   2HG1  VAL  30          3HG1      VAL  30 -10.775   4.817   3.310
  215   3HG1  VAL  30          2HG1      VAL  30  -9.601   4.553   4.599
  216   1HG2  VAL  30          1HG2      VAL  30 -10.810   2.431   1.527
  217   2HG2  VAL  30          3HG2      VAL  30 -11.735   1.552   2.743
  218   3HG2  VAL  30          2HG2      VAL  30 -11.980   3.286   2.533
  219    H    ASP  31           H        ASP  31  -6.633   1.327   2.380
  220    HA   ASP  31           HA       ASP  31  -5.231   2.796   4.541
  221   1HB   ASP  31          2HB       ASP  31  -4.740   0.372   4.171
  222   2HB   ASP  31          1HB       ASP  31  -4.161   0.793   2.579
  223    H    CYS  32           H        CYS  32  -6.438   3.949   1.945
  224    HA   CYS  32           HA       CYS  32  -3.906   5.241   1.014
  225   1HB   CYS  32          2HB       CYS  32  -6.226   4.462  -0.771
  226   2HB   CYS  32          1HB       CYS  32  -4.675   5.127  -1.283
  227    H    ASP  33           H        ASP  33  -5.055   7.043  -0.772
  228    HA   ASP  33           HA       ASP  33  -6.056   9.060   1.021
  229   1HB   ASP  33          2HB       ASP  33  -5.550   8.850  -1.913
  230   2HB   ASP  33          1HB       ASP  33  -6.623  10.138  -1.362
  231    H    ASN  34           H        ASN  34  -7.766   8.199  -1.985
  232    HA   ASN  34           HA       ASN  34 -10.304   8.255  -0.415
  233   1HB   ASN  34          2HB       ASN  34 -11.379   8.663  -2.643
  234   2HB   ASN  34          1HB       ASN  34 -10.231   9.921  -2.184
  235   1HD2  ASN  34          2HD2      ASN  34  -8.495   9.473  -5.205
  236   2HD2  ASN  34          1HD2      ASN  34  -9.134  10.543  -4.051
  237    H    GLY  35           H        GLY  35  -8.463   5.917  -0.707
  238   1HA   GLY  35          2HA       GLY  35  -8.983   3.594  -0.733
  239   2HA   GLY  35          1HA       GLY  35 -10.516   3.971  -1.519
  240    H    SER  36           H        SER  36  -7.242   4.935  -2.535
  241    HA   SER  36           HA       SER  36  -7.763   4.198  -5.273
  242   1HB   SER  36          2HB       SER  36  -5.092   4.374  -5.284
  243   2HB   SER  36          1HB       SER  36  -6.121   5.801  -5.236
  244    HG   SER  36           HG       SER  36  -4.429   5.721  -3.613
  245    H    ASP  37           H        ASP  37  -6.585   2.416  -2.516
  246    HA   ASP  37           HA       ASP  37  -5.085   0.374  -3.718
  247   1HB   ASP  37          2HB       ASP  37  -6.022  -1.069  -1.827
  248   2HB   ASP  37          1HB       ASP  37  -5.237   0.408  -1.337
  249    H    GLU  38           H        GLU  38  -8.507   1.016  -3.860
  250    HA   GLU  38           HA       GLU  38  -8.916  -1.524  -5.385
  251   1HB   GLU  38          2HB       GLU  38 -11.337  -1.235  -4.800
  252   2HB   GLU  38          1HB       GLU  38 -10.311  -1.450  -3.382
  253   1HG   GLU  38          2HG       GLU  38 -10.470   0.801  -2.762
  254   2HG   GLU  38          1HG       GLU  38 -10.914   1.320  -4.389
  255    H    GLN  39           H        GLN  39  -7.756   0.550  -6.751
  256    HA   GLN  39           HA       GLN  39  -9.847   2.130  -8.086
  257   1HB   GLN  39          2HB       GLN  39  -7.365   2.779  -7.410
  258   2HB   GLN  39          1HB       GLN  39  -7.038   2.101  -8.992
  259   1HG   GLN  39          2HG       GLN  39  -9.061   4.277  -8.430
  260   2HG   GLN  39          1HG       GLN  39  -7.451   4.551  -9.093
  261   1HE2  GLN  39          2HE2      GLN  39  -8.276   3.106 -12.302
  262   2HE2  GLN  39          1HE2      GLN  39  -6.988   3.279 -11.210
  263    H    GLY  40           H        GLY  40 -11.008   0.983  -9.589
  264   1HA   GLY  40          2HA       GLY  40 -11.187   0.129 -11.836
  265   2HA   GLY  40          1HA       GLY  40  -9.484  -0.330 -11.769
  266    H    CYS  41           HN       CYS  41  -9.043  -2.042  -9.958
  267    HA   CYS  41           HA       CYS  41 -10.431  -4.434 -10.613
  268   1HB   CYS  41          2HB       CYS  41  -8.134  -4.284  -9.594
  269   2HB   CYS  41          1HB       CYS  41  -8.898  -3.885  -8.058
   
  No H/Q in entry =         269
  Start of MODEL           9
 Raw file had  276 H/Q atoms
  Start of MODEL    9
    1   1H    LEU   1          1H        LEU   1  10.587   2.332  11.176
    2   2H    LEU   1          3H        LEU   1   9.640   3.266  12.227
    3   3H    LEU   1          2H        LEU   1  11.020   2.467  12.813
    4    HA   LEU   1           HA       LEU   1  10.001   0.323  12.376
    5   1HB   LEU   1          2HB       LEU   1   9.690   1.508  14.573
    6   2HB   LEU   1          1HB       LEU   1   8.165   2.147  13.960
    7    HG   LEU   1           HG       LEU   1   7.772  -0.451  13.404
    8   1HD1  LEU   1          1HD1      LEU   1   9.733  -0.346  15.703
    9   2HD1  LEU   1          3HD1      LEU   1   8.621  -1.697  15.482
   10   3HD1  LEU   1          2HD1      LEU   1   9.821  -1.331  14.242
   11   1HD2  LEU   1          2HD2      LEU   1   6.370   1.094  14.815
   12   2HD2  LEU   1          1HD2      LEU   1   6.439  -0.557  15.433
   13   3HD2  LEU   1          3HD2      LEU   1   7.411   0.707  16.186
   14    H    SER   2           H        SER   2   9.449   0.999   9.922
   15    HA   SER   2           HA       SER   2   6.521   0.567   9.662
   16   1HB   SER   2          2HB       SER   2   6.755   2.234   7.619
   17   2HB   SER   2          1HB       SER   2   6.443   2.845   9.240
   18    HG   SER   2           HG       SER   2   8.369   3.588   7.763
   19    H    VAL   3           H        VAL   3   9.092  -1.003   9.240
   20    HA   VAL   3           HA       VAL   3   9.567  -1.339   6.465
   21    HB   VAL   3           HB       VAL   3  11.092  -2.186   8.207
   22   1HG1  VAL   3          3HG1      VAL   3   8.880  -3.056   9.499
   23   2HG1  VAL   3          2HG1      VAL   3   9.392  -4.563   8.738
   24   3HG1  VAL   3          1HG1      VAL   3  10.492  -3.702   9.814
   25   1HG2  VAL   3          2HG2      VAL   3  11.058  -3.221   5.924
   26   2HG2  VAL   3          1HG2      VAL   3  11.601  -4.332   7.180
   27   3HG2  VAL   3          3HG2      VAL   3   9.962  -4.456   6.541
   28    H    THR   4           H        THR   4   8.285  -2.241   4.923
   29    HA   THR   4           HA       THR   4   6.520  -4.494   5.530
   30    HB   THR   4           HB       THR   4   4.559  -3.053   4.456
   31    HG1  THR   4           HG1      THR   4   5.696  -1.162   4.219
   32   1HG2  THR   4          3HG2      THR   4   4.837  -4.161   6.800
   33   2HG2  THR   4          2HG2      THR   4   5.195  -2.524   7.349
   34   3HG2  THR   4          1HG2      THR   4   3.637  -2.885   6.605
   35    H    CYS   5           H        CYS   5   5.011  -4.695   3.348
   36    HA   CYS   5           HA       CYS   5   5.085  -5.245   1.074
   37   1HB   CYS   5          2HB       CYS   5   6.859  -2.834   1.024
   38   2HB   CYS   5          1HB       CYS   5   6.224  -3.616  -0.413
   39    H    LYS   6           H        LYS   6   6.243  -7.236   1.624
   40    HA   LYS   6           HA       LYS   6   9.075  -7.168   0.664
   41   1HB   LYS   6          2HB       LYS   6   9.476  -9.090   2.283
   42   2HB   LYS   6          1HB       LYS   6   9.230  -7.512   3.032
   43   1HG   LYS   6          2HG       LYS   6   7.268  -8.138   4.001
   44   2HG   LYS   6          1HG       LYS   6   6.747  -9.050   2.587
   45   1HD   LYS   6          2HD       LYS   6   7.641 -11.004   3.352
   46   2HD   LYS   6          1HD       LYS   6   9.052 -10.204   4.043
   47   1HE   LYS   6          2HE       LYS   6   7.020  -9.255   5.644
   48   2HE   LYS   6          1HE       LYS   6   6.487 -10.902   5.309
   49   1HZ   LYS   6          1HZ       LYS   6   9.231 -10.240   6.211
   50   2HZ   LYS   6          3HZ       LYS   6   7.977 -10.635   7.281
   51   3HZ   LYS   6          2HZ       LYS   6   8.503 -11.773   6.135
   52    H    SER   7           H        SER   7   8.560  -7.921  -1.407
   53    HA   SER   7           HA       SER   7   8.120  -9.531  -3.051
   54   1HB   SER   7          2HB       SER   7   9.409 -10.889  -1.103
   55   2HB   SER   7          1HB       SER   7   7.865 -11.736  -1.070
   56    HG   SER   7           HG       SER   7   9.859 -11.833  -2.898
   57    H    GLY   8           H        GLY   8   6.119  -9.326  -3.902
   58   1HA   GLY   8          2HA       GLY   8   3.888 -10.163  -4.245
   59   2HA   GLY   8          1HA       GLY   8   3.863 -10.714  -2.569
   60    H    ASP   9           H        ASP   9   4.997  -7.497  -3.334
   61    HA   ASP   9           HA       ASP   9   2.888  -6.322  -1.675
   62   1HB   ASP   9          2HB       ASP   9   4.753  -4.654  -3.325
   63   2HB   ASP   9          1HB       ASP   9   4.157  -4.379  -1.694
   64    H    PHE  10           H        PHE  10   2.361  -3.933  -2.899
   65    HA   PHE  10           HA       PHE  10   1.702  -4.205  -5.667
   66   1HB   PHE  10          2HB       PHE  10  -0.349  -5.137  -5.626
   67   2HB   PHE  10          1HB       PHE  10  -0.096  -5.480  -3.929
   68    HD1  PHE  10           HD2      PHE  10  -1.305  -2.700  -6.183
   69    HD2  PHE  10           HD1      PHE  10  -1.625  -4.656  -2.371
   70    HE1  PHE  10           HE2      PHE  10  -3.279  -1.279  -5.623
   71    HE2  PHE  10           HE1      PHE  10  -3.593  -3.251  -1.825
   72    HZ   PHE  10           HZ       PHE  10  -4.427  -1.595  -3.418
   73    H    SER  11           H        SER  11   2.272  -2.199  -6.211
   74    HA   SER  11           HA       SER  11   2.135   0.079  -4.488
   75   1HB   SER  11          2HB       SER  11   2.028   0.412  -7.461
   76   2HB   SER  11          1HB       SER  11   2.992   1.287  -6.274
   77    HG   SER  11           HG       SER  11   4.359  -0.092  -7.336
   78    H    CYS  12           H        CYS  12   0.212   0.756  -3.710
   79    HA   CYS  12           HA       CYS  12  -2.350   0.338  -4.703
   80   1HB   CYS  12          2HB       CYS  12  -1.734   1.308  -2.490
   81   2HB   CYS  12          1HB       CYS  12  -1.465   2.834  -3.306
   82    H    GLY  13           H        GLY  13  -0.466   3.355  -5.184
   83   1HA   GLY  13          2HA       GLY  13  -0.383   4.124  -7.624
   84   2HA   GLY  13          1HA       GLY  13  -2.129   3.875  -7.618
   85    H    GLY  14           H        GLY  14  -1.426   6.351  -8.296
   86   1HA   GLY  14          2HA       GLY  14  -2.159   8.532  -7.684
   87   2HA   GLY  14          1HA       GLY  14  -2.376   7.966  -6.027
   88    H    ARG  15           H        ARG  15  -1.239  10.133  -5.654
   89    HA   ARG  15           HA       ARG  15   1.581  10.357  -6.281
   90   1HB   ARG  15          2HB       ARG  15   1.520  12.229  -4.610
   91   2HB   ARG  15          1HB       ARG  15   0.281  12.369  -5.856
   92   1HG   ARG  15          2HG       ARG  15  -1.440  11.690  -4.398
   93   2HG   ARG  15          1HG       ARG  15  -0.309  10.974  -3.250
   94   1HD   ARG  15          2HD       ARG  15  -0.023  12.935  -2.165
   95   2HD   ARG  15          1HD       ARG  15   0.198  13.827  -3.670
   96    HE   ARG  15           HE       ARG  15  -2.267  14.013  -3.820
   97   1HH1  ARG  15          1HH2      ARG  15  -2.841  11.728  -1.896
   98   2HH1  ARG  15          2HH2      ARG  15  -3.366  12.593  -0.491
   99   1HH2  ARG  15          2HH1      ARG  15  -2.097  15.636  -1.568
  100   2HH2  ARG  15          1HH1      ARG  15  -2.943  14.807  -0.304
  101    H    VAL  16           H        VAL  16   2.926  10.935  -4.033
  102    HA   VAL  16           HA       VAL  16   4.300   9.784  -2.555
  103    HB   VAL  16           HB       VAL  16   2.577  10.936  -1.210
  104   1HG1  VAL  16          1HG1      VAL  16   0.658   9.427  -1.974
  105   2HG1  VAL  16          3HG1      VAL  16   1.268   8.238  -0.826
  106   3HG1  VAL  16          2HG1      VAL  16   0.715   9.808  -0.261
  107   1HG2  VAL  16          2HG2      VAL  16   3.608   8.306  -0.111
  108   2HG2  VAL  16          1HG2      VAL  16   4.478   9.839  -0.135
  109   3HG2  VAL  16          3HG2      VAL  16   3.041   9.656   0.871
  110    H    ASN  17           H        ASN  17   5.100   8.031  -3.563
  111    HA   ASN  17           HA       ASN  17   3.910   5.638  -4.317
  112   1HB   ASN  17          2HB       ASN  17   6.555   6.586  -3.970
  113   2HB   ASN  17          1HB       ASN  17   6.482   5.043  -3.121
  114   1HD2  ASN  17          2HD2      ASN  17   6.766   3.300  -6.157
  115   2HD2  ASN  17          1HD2      ASN  17   7.168   3.413  -4.511
  116    H    ARG  18           H        ARG  18   2.369   4.762  -2.957
  117    HA   ARG  18           HA       ARG  18   3.323   3.793  -0.289
  118   1HB   ARG  18          2HB       ARG  18   1.528   5.530  -0.162
  119   2HB   ARG  18          1HB       ARG  18   0.482   4.477  -1.114
  120   1HG   ARG  18          2HG       ARG  18   1.028   2.698   0.727
  121   2HG   ARG  18          1HG       ARG  18   1.487   4.098   1.695
  122   1HD   ARG  18          2HD       ARG  18  -1.087   4.384   0.277
  123   2HD   ARG  18          1HD       ARG  18  -1.065   3.126   1.513
  124    HE   ARG  18           HE       ARG  18  -1.001   4.832   3.130
  125   1HH1  ARG  18          2HH1      ARG  18   1.562   6.072   2.401
  126   2HH1  ARG  18          1HH1      ARG  18   1.102   7.661   1.891
  127   1HH2  ARG  18          1HH2      ARG  18  -2.239   6.845   1.465
  128   2HH2  ARG  18          2HH2      ARG  18  -1.048   8.099   1.362
  129    H    CYS  19           H        CYS  19   3.698   1.631  -0.478
  130    HA   CYS  19           HA       CYS  19   2.143   0.043  -2.419
  131   1HB   CYS  19          2HB       CYS  19   3.767  -1.743  -1.869
  132   2HB   CYS  19          1HB       CYS  19   4.568  -0.269  -2.389
  133    H    ILE  20           H        ILE  20   1.469  -2.193  -1.631
  134    HA   ILE  20           HA       ILE  20   0.688  -2.335   1.214
  135    HB   ILE  20           HB       ILE  20  -1.646  -3.143  -0.254
  136   1HG1  ILE  20          2HG1      ILE  20  -0.640  -0.373  -0.997
  137   2HG1  ILE  20          1HG1      ILE  20  -1.092  -1.673  -2.092
  138   1HG2  ILE  20          3HG2      ILE  20  -1.087  -1.989   2.130
  139   2HG2  ILE  20          2HG2      ILE  20  -1.694  -0.588   1.248
  140   3HG2  ILE  20          1HG2      ILE  20  -2.703  -2.022   1.424
  141   1HD1  ILE  20          1HD1      ILE  20  -3.431  -1.500  -0.915
  142   2HD1  ILE  20          3HD1      ILE  20  -2.868   0.101  -0.433
  143   3HD1  ILE  20          2HD1      ILE  20  -2.995  -0.311  -2.142
  144    HA   PRO  21           HA       PRO  21   1.250  -6.644   0.432
  145   1HB   PRO  21          2HB       PRO  21  -0.840  -7.892   1.719
  146   2HB   PRO  21          1HB       PRO  21   0.533  -7.172   2.565
  147   1HG   PRO  21          2HG       PRO  21  -2.233  -6.155   2.317
  148   2HG   PRO  21          1HG       PRO  21  -1.053  -5.856   3.590
  149   1HD   PRO  21          2HD       PRO  21  -1.749  -4.098   1.509
  150   2HD   PRO  21          1HD       PRO  21  -0.346  -3.950   2.573
  151    H    GLN  22           H        GLN  22   0.590  -8.410  -0.946
  152    HA   GLN  22           HA       GLN  22  -1.090  -7.746  -3.139
  153   1HB   GLN  22          2HB       GLN  22   0.513  -9.976  -2.304
  154   2HB   GLN  22          1HB       GLN  22  -0.998 -10.551  -2.989
  155   1HG   GLN  22          2HG       GLN  22  -0.421  -8.691  -4.825
  156   2HG   GLN  22          1HG       GLN  22   1.222  -9.042  -4.287
  157   1HE2  GLN  22          2HE2      GLN  22  -0.485 -11.578  -6.826
  158   2HE2  GLN  22          1HE2      GLN  22  -0.995  -9.979  -6.577
  159    H    PHE  23           H        PHE  23  -1.876  -8.971   0.002
  160    HA   PHE  23           HA       PHE  23  -4.394 -10.193  -0.743
  161   1HB   PHE  23          2HB       PHE  23  -2.907 -10.610   1.346
  162   2HB   PHE  23          1HB       PHE  23  -3.762  -9.218   1.988
  163    HD1  PHE  23           HD1      PHE  23  -4.604 -12.299   0.024
  164    HD2  PHE  23           HD2      PHE  23  -5.650  -9.684   3.268
  165    HE1  PHE  23           HE1      PHE  23  -6.554 -13.736   0.555
  166    HE2  PHE  23           HE2      PHE  23  -7.600 -11.121   3.799
  167    HZ   PHE  23           HZ       PHE  23  -8.052 -13.149   2.443
  168    H    TRP  24           H        TRP  24  -3.371  -6.974   0.310
  169    HA   TRP  24           HA       TRP  24  -6.061  -6.063   0.826
  170   1HB   TRP  24          2HB       TRP  24  -3.388  -4.819   0.722
  171   2HB   TRP  24          1HB       TRP  24  -4.762  -3.745   0.506
  172    HD1  TRP  24           HD1      TRP  24  -4.084  -6.775   2.811
  173    HE1  TRP  24           HE1      TRP  24  -4.829  -6.171   5.200
  174    HE3  TRP  24           HE3      TRP  24  -5.554  -1.887   2.110
  175    HZ2  TRP  24           HZ2      TRP  24  -5.904  -3.958   6.625
  176    HZ3  TRP  24           HZ3      TRP  24  -6.452  -0.597   4.019
  177    HH2  TRP  24           HH2      TRP  24  -6.615  -1.612   6.270
  178    H    ARG  25           H        ARG  25  -4.553  -6.795  -2.107
  179    HA   ARG  25           HA       ARG  25  -5.649  -4.614  -3.688
  180   1HB   ARG  25          2HB       ARG  25  -4.114  -7.020  -4.191
  181   2HB   ARG  25          1HB       ARG  25  -5.483  -6.971  -5.299
  182   1HG   ARG  25          2HG       ARG  25  -3.544  -4.691  -4.858
  183   2HG   ARG  25          1HG       ARG  25  -3.480  -5.807  -6.217
  184   1HD   ARG  25          2HD       ARG  25  -5.862  -4.052  -5.548
  185   2HD   ARG  25          1HD       ARG  25  -4.642  -3.656  -6.757
  186    HE   ARG  25           HE       ARG  25  -6.635  -5.847  -6.969
  187   1HH1  ARG  25          2HH1      ARG  25  -5.380  -7.311  -8.601
  188   2HH1  ARG  25          1HH1      ARG  25  -4.958  -6.461 -10.050
  189   1HH2  ARG  25          1HH2      ARG  25  -5.494  -3.322  -8.677
  190   2HH2  ARG  25          2HH2      ARG  25  -5.022  -4.201 -10.092
  191    H    CYS  26           H        CYS  26  -7.750  -4.413  -4.374
  192    HA   CYS  26           HA       CYS  26  -9.969  -5.032  -4.965
  193   1HB   CYS  26          2HB       CYS  26  -9.128  -7.441  -5.324
  194   2HB   CYS  26          1HB       CYS  26  -9.578  -7.729  -3.644
  195    H    ASP  27           H        ASP  27  -8.774  -6.286  -1.849
  196    HA   ASP  27           HA       ASP  27 -11.099  -5.042  -0.493
  197   1HB   ASP  27          2HB       ASP  27  -9.310  -7.321   0.101
  198   2HB   ASP  27          1HB       ASP  27  -9.897  -6.396   1.475
  199    H    GLY  28           H        GLY  28  -8.984  -3.505  -1.592
  200   1HA   GLY  28          2HA       GLY  28  -6.828  -2.843   0.071
  201   2HA   GLY  28          1HA       GLY  28  -7.620  -1.692  -1.015
  202    H    GLN  29           H        GLN  29 -10.219  -2.156   0.534
  203    HA   GLN  29           HA       GLN  29 -11.306  -0.965   2.264
  204   1HB   GLN  29          2HB       GLN  29  -8.633  -0.964   3.718
  205   2HB   GLN  29          1HB       GLN  29 -10.241  -0.930   4.422
  206   1HG   GLN  29          2HG       GLN  29 -10.327  -3.235   2.961
  207   2HG   GLN  29          1HG       GLN  29  -8.652  -3.186   3.493
  208   1HE2  GLN  29          2HE2      GLN  29  -9.573  -4.435   6.645
  209   2HE2  GLN  29          1HE2      GLN  29  -8.485  -4.470   5.343
  210    H    VAL  30           H        VAL  30  -8.877   0.946   3.648
  211    HA   VAL  30           HA       VAL  30  -8.601   2.627   1.299
  212    HB   VAL  30           HB       VAL  30 -10.140   3.469   3.740
  213   1HG1  VAL  30          3HG1      VAL  30  -8.560   5.119   1.798
  214   2HG1  VAL  30          2HG1      VAL  30 -10.174   5.693   2.213
  215   3HG1  VAL  30          1HG1      VAL  30  -8.968   5.466   3.479
  216   1HG2  VAL  30          2HG2      VAL  30 -10.542   3.197   0.767
  217   2HG2  VAL  30          1HG2      VAL  30 -11.466   2.450   2.070
  218   3HG2  VAL  30          3HG2      VAL  30 -11.635   4.175   1.746
  219    H    ASP  31           H        ASP  31  -6.611   1.321   2.167
  220    HA   ASP  31           HA       ASP  31  -5.030   2.679   4.206
  221   1HB   ASP  31          2HB       ASP  31  -4.707   0.286   3.763
  222   2HB   ASP  31          1HB       ASP  31  -4.278   0.654   2.113
  223    H    CYS  32           H        CYS  32  -5.899   3.357   1.001
  224    HA   CYS  32           HA       CYS  32  -3.384   4.784   0.381
  225   1HB   CYS  32          2HB       CYS  32  -5.816   4.189  -1.350
  226   2HB   CYS  32          1HB       CYS  32  -4.268   4.823  -1.907
  227    H    ASP  33           H        ASP  33  -6.467   5.432   1.701
  228    HA   ASP  33           HA       ASP  33  -7.620   7.430   2.112
  229   1HB   ASP  33          2HB       ASP  33  -4.822   8.480   1.608
  230   2HB   ASP  33          1HB       ASP  33  -6.154   9.500   2.154
  231    H    ASN  34           H        ASN  34  -8.932   7.184   0.196
  232    HA   ASN  34           HA       ASN  34  -9.833   7.924  -1.835
  233   1HB   ASN  34          2HB       ASN  34  -7.974  10.243  -1.460
  234   2HB   ASN  34          1HB       ASN  34  -9.388  10.211  -2.498
  235   1HD2  ASN  34          2HD2      ASN  34 -10.218  11.721   0.894
  236   2HD2  ASN  34          1HD2      ASN  34  -8.977  12.048  -0.217
  237    H    GLY  35           H        GLY  35  -7.269   6.321  -1.715
  238   1HA   GLY  35          2HA       GLY  35  -5.830   7.202  -4.135
  239   2HA   GLY  35          1HA       GLY  35  -5.408   5.823  -3.124
  240    H    SER  36           H        SER  36  -5.839   3.847  -4.016
  241    HA   SER  36           HA       SER  36  -8.307   3.420  -5.521
  242   1HB   SER  36          2HB       SER  36  -7.008   2.620  -7.575
  243   2HB   SER  36          1HB       SER  36  -7.120   4.361  -7.339
  244    HG   SER  36           HG       SER  36  -4.945   2.657  -7.158
  245    H    ASP  37           H        ASP  37  -6.423   2.153  -3.252
  246    HA   ASP  37           HA       ASP  37  -5.648  -0.415  -4.210
  247   1HB   ASP  37          2HB       ASP  37  -5.974  -1.139  -1.785
  248   2HB   ASP  37          1HB       ASP  37  -4.884   0.179  -2.057
  249    H    GLU  38           H        GLU  38  -8.797   0.900  -3.570
  250    HA   GLU  38           HA       GLU  38  -9.984  -1.794  -4.086
  251   1HB   GLU  38          2HB       GLU  38 -10.246  -0.466  -1.720
  252   2HB   GLU  38          1HB       GLU  38 -11.628   0.180  -2.603
  253   1HG   GLU  38          2HG       GLU  38 -11.934  -2.408  -3.232
  254   2HG   GLU  38          1HG       GLU  38 -11.096  -2.609  -1.694
  255    H    GLN  39           H        GLN  39  -9.312   0.018  -6.134
  256    HA   GLN  39           HA       GLN  39 -11.785   1.456  -6.857
  257   1HB   GLN  39          2HB       GLN  39  -9.370   2.309  -7.216
  258   2HB   GLN  39          1HB       GLN  39  -9.374   1.205  -8.581
  259   1HG   GLN  39          2HG       GLN  39 -11.001   2.389  -9.736
  260   2HG   GLN  39          1HG       GLN  39 -11.678   3.081  -8.261
  261   1HE2  GLN  39          2HE2      GLN  39  -9.923   6.057  -8.944
  262   2HE2  GLN  39          1HE2      GLN  39 -11.410   5.319  -8.593
  263    H    GLY  40           H        GLY  40  -9.714  -1.120  -8.186
  264   1HA   GLY  40          2HA       GLY  40 -12.132  -2.260  -9.498
  265   2HA   GLY  40          1HA       GLY  40 -10.688  -1.981 -10.473
  266    H    CYS  41           HN       CYS  41 -12.264  -4.409  -9.073
  267    HA   CYS  41           HA       CYS  41 -10.105  -5.746  -7.636
  268   1HB   CYS  41          2HB       CYS  41 -12.656  -6.070  -7.336
  269   2HB   CYS  41          1HB       CYS  41 -12.554  -7.097  -8.765
   
  No H/Q in entry =         269
  Start of MODEL          10
  Start of MODEL   10
    1   1H    LEU   1          3H        LEU   1   4.386  -2.628 -15.712
    2   2H    LEU   1          2H        LEU   1   4.877  -1.156 -15.020
    3   3H    LEU   1          1H        LEU   1   5.040  -1.409 -16.693
    4    HA   LEU   1           HA       LEU   1   6.832  -2.810 -16.471
    5   1HB   LEU   1          2HB       LEU   1   6.793  -0.547 -14.543
    6   2HB   LEU   1          1HB       LEU   1   8.090  -1.725 -14.337
    7    HG   LEU   1           HG       LEU   1   8.403  -1.471 -16.915
    8   1HD1  LEU   1          2HD1      LEU   1   6.707   0.912 -16.174
    9   2HD1  LEU   1          1HD1      LEU   1   7.838   0.983 -17.524
   10   3HD1  LEU   1          3HD1      LEU   1   6.518  -0.187 -17.540
   11   1HD2  LEU   1          1HD2      LEU   1   9.912  -0.652 -15.017
   12   2HD2  LEU   1          3HD2      LEU   1  10.041   0.232 -16.538
   13   3HD2  LEU   1          2HD2      LEU   1   9.123   0.915 -15.196
   14    H    SER   2           H        SER   2   8.079  -4.341 -15.167
   15    HA   SER   2           HA       SER   2   6.400  -6.022 -13.517
   16   1HB   SER   2          2HB       SER   2   9.390  -6.254 -13.514
   17   2HB   SER   2          1HB       SER   2   8.175  -7.528 -13.531
   18    HG   SER   2           HG       SER   2   8.016  -7.358 -15.641
   19    H    VAL   3           H        VAL   3   9.498  -4.425 -12.692
   20    HA   VAL   3           HA       VAL   3   9.228  -4.683  -9.899
   21    HB   VAL   3           HB       VAL   3  11.354  -4.109 -11.013
   22   1HG1  VAL   3          1HG1      VAL   3   9.933  -2.343 -12.483
   23   2HG1  VAL   3          3HG1      VAL   3  10.593  -1.246 -11.269
   24   3HG1  VAL   3          2HG1      VAL   3  11.678  -2.217 -12.264
   25   1HG2  VAL   3          1HG2      VAL   3  10.978  -3.534  -8.602
   26   2HG2  VAL   3          3HG2      VAL   3  12.133  -2.462  -9.396
   27   3HG2  VAL   3          2HG2      VAL   3  10.481  -1.918  -9.103
   28    H    THR   4           H        THR   4   7.780  -3.742  -8.541
   29    HA   THR   4           HA       THR   4   6.690  -1.060  -9.283
   30    HB   THR   4           HB       THR   4   4.658  -2.052  -7.828
   31    HG1  THR   4           HG1      THR   4   4.413  -4.217  -8.256
   32   1HG2  THR   4          2HG2      THR   4   4.927  -1.234 -10.342
   33   2HG2  THR   4          1HG2      THR   4   4.779  -2.960 -10.674
   34   3HG2  THR   4          3HG2      THR   4   3.488  -2.112  -9.822
   35    H    CYS   5           H        CYS   5   7.117  -3.346  -6.584
   36    HA   CYS   5           HA       CYS   5   7.888  -1.037  -4.876
   37   1HB   CYS   5          2HB       CYS   5   5.524  -2.561  -4.608
   38   2HB   CYS   5          1HB       CYS   5   6.582  -3.030  -3.289
   39    H    LYS   6           H        LYS   6   7.542  -4.544  -4.308
   40    HA   LYS   6           HA       LYS   6  10.482  -4.797  -4.151
   41   1HB   LYS   6          2HB       LYS   6   8.924  -4.416  -1.828
   42   2HB   LYS   6          1HB       LYS   6   9.305  -6.137  -1.860
   43   1HG   LYS   6          2HG       LYS   6  11.717  -5.016  -2.570
   44   2HG   LYS   6          1HG       LYS   6  11.087  -3.825  -1.433
   45   1HD   LYS   6          2HD       LYS   6  10.502  -6.103  -0.086
   46   2HD   LYS   6          1HD       LYS   6  11.942  -6.629  -0.958
   47   1HE   LYS   6          2HE       LYS   6  12.672  -4.116  -0.056
   48   2HE   LYS   6          1HE       LYS   6  11.700  -4.739   1.277
   49   1HZ   LYS   6          1HZ       LYS   6  13.091  -6.861   0.923
   50   2HZ   LYS   6          3HZ       LYS   6  14.176  -5.832   0.122
   51   3HZ   LYS   6          2HZ       LYS   6  13.785  -5.550   1.751
   52    H    SER   7           H        SER   7   7.351  -6.456  -3.745
   53    HA   SER   7           HA       SER   7   7.967  -8.453  -5.704
   54   1HB   SER   7          2HB       SER   7   9.504  -9.059  -3.705
   55   2HB   SER   7          1HB       SER   7   8.023  -9.582  -2.909
   56    HG   SER   7           HG       SER   7   8.161 -11.322  -4.058
   57    H    GLY   8           H        GLY   8   6.333  -8.615  -2.507
   58   1HA   GLY   8          2HA       GLY   8   3.860  -9.445  -3.943
   59   2HA   GLY   8          1HA       GLY   8   4.187  -9.734  -2.237
   60    H    ASP   9           H        ASP   9   5.156  -6.615  -2.661
   61    HA   ASP   9           HA       ASP   9   2.815  -5.533  -1.347
   62   1HB   ASP   9          2HB       ASP   9   4.811  -3.777  -2.742
   63   2HB   ASP   9          1HB       ASP   9   3.986  -3.521  -1.212
   64    H    PHE  10           H        PHE  10   2.324  -3.131  -2.553
   65    HA   PHE  10           HA       PHE  10   2.026  -3.223  -5.367
   66   1HB   PHE  10          2HB       PHE  10   0.029  -4.243  -5.769
   67   2HB   PHE  10          1HB       PHE  10   0.233  -4.954  -4.177
   68    HD1  PHE  10           HD2      PHE  10  -1.280  -2.031  -5.963
   69    HD2  PHE  10           HD1      PHE  10  -1.336  -4.485  -2.435
   70    HE1  PHE  10           HE2      PHE  10  -3.369  -0.904  -5.225
   71    HE2  PHE  10           HE1      PHE  10  -3.423  -3.361  -1.704
   72    HZ   PHE  10           HZ       PHE  10  -4.450  -1.599  -3.079
   73    H    SER  11           H        SER  11   2.037  -1.087  -5.876
   74    HA   SER  11           HA       SER  11   1.448   0.956  -3.923
   75   1HB   SER  11          2HB       SER  11   1.505   1.279  -6.938
   76   2HB   SER  11          1HB       SER  11   1.765   2.533  -5.727
   77    HG   SER  11           HG       SER  11   3.724   1.677  -6.617
   78    H    CYS  12           H        CYS  12  -0.510   2.002  -3.554
   79    HA   CYS  12           HA       CYS  12  -2.959   0.763  -4.067
   80   1HB   CYS  12          2HB       CYS  12  -2.649   3.744  -3.874
   81   2HB   CYS  12          1HB       CYS  12  -4.043   2.795  -3.420
   82    H    GLY  13           H        GLY  13  -1.295   3.202  -6.041
   83   1HA   GLY  13          2HA       GLY  13  -1.569   2.958  -8.517
   84   2HA   GLY  13          1HA       GLY  13  -3.279   2.665  -8.213
   85    H    GLY  14           H        GLY  14  -1.013   5.154  -7.017
   86   1HA   GLY  14          2HA       GLY  14  -1.771   7.352  -8.505
   87   2HA   GLY  14          1HA       GLY  14  -3.050   7.224  -7.299
   88    H    ARG  15           H        ARG  15  -1.293   6.197  -5.194
   89    HA   ARG  15           HA       ARG  15  -0.406   8.704  -4.099
   90   1HB   ARG  15          2HB       ARG  15  -0.410   5.867  -3.268
   91   2HB   ARG  15          1HB       ARG  15   0.900   6.829  -2.584
   92   1HG   ARG  15          2HG       ARG  15  -2.029   7.611  -2.501
   93   2HG   ARG  15          1HG       ARG  15  -1.155   6.862  -1.165
   94   1HD   ARG  15          2HD       ARG  15   0.536   8.884  -1.672
   95   2HD   ARG  15          1HD       ARG  15  -0.955   9.632  -2.246
   96    HE   ARG  15           HE       ARG  15  -1.865   8.951   0.100
   97   1HH1  ARG  15          1HH2      ARG  15   0.757  10.870  -0.671
   98   2HH1  ARG  15          2HH2      ARG  15   1.428  10.918   0.924
   99   1HH2  ARG  15          2HH1      ARG  15  -0.724   8.513   2.192
  100   2HH2  ARG  15          1HH1      ARG  15   0.591   9.585   2.544
  101    H    VAL  16           H        VAL  16   1.600   9.648  -4.108
  102    HA   VAL  16           HA       VAL  16   3.495   8.923  -6.091
  103    HB   VAL  16           HB       VAL  16   3.255  11.226  -5.246
  104   1HG1  VAL  16          1HG1      VAL  16   2.987  10.284  -2.807
  105   2HG1  VAL  16          3HG1      VAL  16   4.743  10.449  -2.755
  106   3HG1  VAL  16          2HG1      VAL  16   3.731  11.863  -3.054
  107   1HG2  VAL  16          3HG2      VAL  16   5.482  10.226  -6.162
  108   2HG2  VAL  16          2HG2      VAL  16   5.537  11.790  -5.350
  109   3HG2  VAL  16          1HG2      VAL  16   6.033  10.332  -4.489
  110    H    ASN  17           H        ASN  17   3.365   8.319  -2.608
  111    HA   ASN  17           HA       ASN  17   5.404   6.190  -2.965
  112   1HB   ASN  17          2HB       ASN  17   6.293   8.550  -2.079
  113   2HB   ASN  17          1HB       ASN  17   5.680   7.924  -0.549
  114   1HD2  ASN  17          2HD2      ASN  17   7.962   5.025  -0.734
  115   2HD2  ASN  17          1HD2      ASN  17   6.302   5.289  -0.502
  116    H    ARG  18           H        ARG  18   3.913   4.573  -2.505
  117    HA   ARG  18           HA       ARG  18   3.327   4.010   0.240
  118   1HB   ARG  18          2HB       ARG  18   1.635   5.882  -0.355
  119   2HB   ARG  18          1HB       ARG  18   0.833   4.651  -1.332
  120   1HG   ARG  18          2HG       ARG  18   1.039   3.197   0.853
  121   2HG   ARG  18          1HG       ARG  18   1.192   4.763   1.647
  122   1HD   ARG  18          2HD       ARG  18  -1.006   4.483  -0.341
  123   2HD   ARG  18          1HD       ARG  18  -1.198   3.615   1.181
  124    HE   ARG  18           HE       ARG  18  -1.463   6.452   0.854
  125   1HH1  ARG  18          2HH1      ARG  18   0.953   6.597   2.474
  126   2HH1  ARG  18          1HH1      ARG  18   0.369   6.434   4.097
  127   1HH2  ARG  18          1HH2      ARG  18  -2.702   5.137   3.145
  128   2HH2  ARG  18          2HH2      ARG  18  -1.700   5.607   4.476
  129    H    CYS  19           H        CYS  19   2.649   1.856   0.453
  130    HA   CYS  19           HA       CYS  19   1.829   0.423  -2.009
  131   1HB   CYS  19          2HB       CYS  19   4.434   0.305  -0.869
  132   2HB   CYS  19          1HB       CYS  19   3.663  -1.253  -0.621
  133    H    ILE  20           H        ILE  20   1.276  -1.935  -1.385
  134    HA   ILE  20           HA       ILE  20   0.395  -2.325   1.391
  135    HB   ILE  20           HB       ILE  20  -1.885  -3.052  -0.206
  136   1HG1  ILE  20          2HG1      ILE  20  -0.978  -0.181  -0.622
  137   2HG1  ILE  20          1HG1      ILE  20  -1.330  -1.371  -1.866
  138   1HG2  ILE  20          3HG2      ILE  20  -1.459  -2.198   2.294
  139   2HG2  ILE  20          2HG2      ILE  20  -1.975  -0.671   1.577
  140   3HG2  ILE  20          1HG2      ILE  20  -3.037  -2.077   1.514
  141   1HD1  ILE  20          2HD1      ILE  20  -3.709  -1.442  -0.957
  142   2HD1  ILE  20          1HD1      ILE  20  -3.285  -0.048   0.028
  143   3HD1  ILE  20          3HD1      ILE  20  -3.246   0.073  -1.731
  144    HA   PRO  21           HA       PRO  21   1.214  -6.499   0.268
  145   1HB   PRO  21          2HB       PRO  21  -0.730  -7.929   1.595
  146   2HB   PRO  21          1HB       PRO  21   0.678  -7.220   2.382
  147   1HG   PRO  21          2HG       PRO  21  -2.122  -6.288   2.409
  148   2HG   PRO  21          1HG       PRO  21  -0.871  -6.061   3.625
  149   1HD   PRO  21          2HD       PRO  21  -1.747  -4.138   1.794
  150   2HD   PRO  21          1HD       PRO  21  -0.242  -4.075   2.713
  151    H    GLN  22           H        GLN  22   0.422  -8.408  -0.910
  152    HA   GLN  22           HA       GLN  22  -1.137  -7.825  -3.202
  153   1HB   GLN  22          2HB       GLN  22  -1.192 -10.295  -3.508
  154   2HB   GLN  22          1HB       GLN  22   0.407  -9.689  -3.122
  155   1HG   GLN  22          2HG       GLN  22   0.348 -11.434  -1.644
  156   2HG   GLN  22          1HG       GLN  22  -0.399 -10.201  -0.634
  157   1HE2  GLN  22          2HE2      GLN  22  -2.975 -12.850  -2.464
  158   2HE2  GLN  22          1HE2      GLN  22  -1.626 -12.283  -3.325
  159    H    PHE  23           H        PHE  23  -1.983  -9.231  -0.139
  160    HA   PHE  23           HA       PHE  23  -4.631 -10.072  -0.717
  161   1HB   PHE  23          2HB       PHE  23  -3.195 -10.545   1.353
  162   2HB   PHE  23          1HB       PHE  23  -3.790  -8.998   1.927
  163    HD1  PHE  23           HD2      PHE  23  -4.747 -12.426   0.977
  164    HD2  PHE  23           HD1      PHE  23  -6.114  -8.672   2.559
  165    HE1  PHE  23           HE2      PHE  23  -6.870 -13.496   1.685
  166    HE2  PHE  23           HE1      PHE  23  -8.236  -9.743   3.268
  167    HZ   PHE  23           HZ       PHE  23  -8.613 -12.155   2.831
  168    H    TRP  24           H        TRP  24  -3.393  -6.906   0.388
  169    HA   TRP  24           HA       TRP  24  -6.063  -5.797   0.650
  170   1HB   TRP  24          2HB       TRP  24  -3.306  -4.717   0.799
  171   2HB   TRP  24          1HB       TRP  24  -4.654  -3.599   0.702
  172    HD1  TRP  24           HD1      TRP  24  -3.974  -6.871   2.656
  173    HE1  TRP  24           HE1      TRP  24  -4.741  -6.546   5.092
  174    HE3  TRP  24           HE3      TRP  24  -5.569  -1.990   2.466
  175    HZ2  TRP  24           HZ2      TRP  24  -5.879  -4.523   6.738
  176    HZ3  TRP  24           HZ3      TRP  24  -6.507  -0.922   4.494
  177    HH2  TRP  24           HH2      TRP  24  -6.651  -2.172   6.626
  178    H    ARG  25           H        ARG  25  -4.224  -6.523  -2.080
  179    HA   ARG  25           HA       ARG  25  -4.925  -4.243  -3.737
  180   1HB   ARG  25          2HB       ARG  25  -3.063  -5.761  -4.354
  181   2HB   ARG  25          1HB       ARG  25  -4.192  -7.106  -4.492
  182   1HG   ARG  25          2HG       ARG  25  -4.173  -6.504  -6.704
  183   2HG   ARG  25          1HG       ARG  25  -5.390  -5.348  -6.170
  184   1HD   ARG  25          2HD       ARG  25  -3.951  -3.560  -6.304
  185   2HD   ARG  25          1HD       ARG  25  -2.541  -4.536  -5.903
  186    HE   ARG  25           HE       ARG  25  -3.061  -5.506  -8.345
  187   1HH1  ARG  25          2HH1      ARG  25  -4.699  -2.747  -8.241
  188   2HH1  ARG  25          1HH1      ARG  25  -3.673  -1.809  -9.275
  189   1HH2  ARG  25          1HH2      ARG  25  -1.074  -4.103  -9.221
  190   2HH2  ARG  25          2HH2      ARG  25  -1.621  -2.577  -9.829
  191    H    CYS  26           H        CYS  26  -6.758  -4.021  -5.027
  192    HA   CYS  26           HA       CYS  26  -8.846  -4.519  -5.996
  193   1HB   CYS  26          2HB       CYS  26  -8.014  -7.043  -5.828
  194   2HB   CYS  26          1HB       CYS  26  -9.181  -7.093  -4.506
  195    H    ASP  27           H        ASP  27  -8.522  -5.616  -2.599
  196    HA   ASP  27           HA       ASP  27 -11.036  -4.200  -1.969
  197   1HB   ASP  27          2HB       ASP  27  -9.380  -6.274  -0.630
  198   2HB   ASP  27          1HB       ASP  27 -10.377  -5.233   0.376
  199    H    GLY  28           H        GLY  28  -8.090  -4.609  -0.057
  200   1HA   GLY  28          2HA       GLY  28  -6.541  -3.043   0.747
  201   2HA   GLY  28          1HA       GLY  28  -7.223  -1.864  -0.381
  202    H    GLN  29           H        GLN  29  -9.917  -2.831   1.214
  203    HA   GLN  29           HA       GLN  29 -11.222  -1.637   2.777
  204   1HB   GLN  29          2HB       GLN  29  -8.594  -1.394   4.299
  205   2HB   GLN  29          1HB       GLN  29 -10.216  -1.390   4.972
  206   1HG   GLN  29          2HG       GLN  29 -10.032  -3.750   3.486
  207   2HG   GLN  29          1HG       GLN  29  -8.507  -3.603   4.342
  208   1HE2  GLN  29          2HE2      GLN  29 -10.343  -3.441   7.583
  209   2HE2  GLN  29          1HE2      GLN  29  -9.255  -2.434   6.757
  210    H    VAL  30           H        VAL  30  -8.793   0.458   4.061
  211    HA   VAL  30           HA       VAL  30  -8.753   2.176   1.767
  212    HB   VAL  30           HB       VAL  30 -10.336   2.883   4.215
  213   1HG1  VAL  30          3HG1      VAL  30  -8.846   4.718   2.338
  214   2HG1  VAL  30          2HG1      VAL  30 -10.429   5.214   2.935
  215   3HG1  VAL  30          1HG1      VAL  30  -9.118   4.899   4.070
  216   1HG2  VAL  30          2HG2      VAL  30 -10.672   2.748   1.230
  217   2HG2  VAL  30          1HG2      VAL  30 -11.628   1.959   2.485
  218   3HG2  VAL  30          3HG2      VAL  30 -11.791   3.695   2.212
  219    H    ASP  31           H        ASP  31  -6.627   1.197   2.325
  220    HA   ASP  31           HA       ASP  31  -5.150   2.625   4.456
  221   1HB   ASP  31          2HB       ASP  31  -4.912   0.147   4.185
  222   2HB   ASP  31          1HB       ASP  31  -4.225   0.452   2.606
  223    H    CYS  32           H        CYS  32  -6.151   3.818   1.817
  224    HA   CYS  32           HA       CYS  32  -3.496   4.845   0.935
  225   1HB   CYS  32          2HB       CYS  32  -5.768   3.976  -0.886
  226   2HB   CYS  32          1HB       CYS  32  -4.245   4.690  -1.417
  227    H    ASP  33           H        ASP  33  -6.131   5.772   2.472
  228    HA   ASP  33           HA       ASP  33  -7.528   7.669   2.547
  229   1HB   ASP  33          2HB       ASP  33  -6.176   9.791   2.429
  230   2HB   ASP  33          1HB       ASP  33  -5.509   8.563   3.502
  231    H    ASN  34           H        ASN  34  -8.777   7.059   0.595
  232    HA   ASN  34           HA       ASN  34  -9.738   7.598  -1.476
  233   1HB   ASN  34          2HB       ASN  34  -9.229   9.982  -0.231
  234   2HB   ASN  34          1HB       ASN  34  -8.374  10.169  -1.755
  235   1HD2  ASN  34          2HD2      ASN  34 -12.460   9.735  -1.841
  236   2HD2  ASN  34          1HD2      ASN  34 -11.593   9.156  -0.501
  237    H    GLY  35           H        GLY  35  -6.914   6.459  -1.222
  238   1HA   GLY  35          2HA       GLY  35  -5.443   7.502  -3.503
  239   2HA   GLY  35          1HA       GLY  35  -5.060   6.029  -2.613
  240    H    SER  36           H        SER  36  -5.650   4.067  -3.510
  241    HA   SER  36           HA       SER  36  -7.870   3.737  -5.288
  242   1HB   SER  36          2HB       SER  36  -6.117   3.164  -7.269
  243   2HB   SER  36          1HB       SER  36  -6.913   4.726  -7.105
  244    HG   SER  36           HG       SER  36  -4.376   3.990  -6.060
  245    H    ASP  37           H        ASP  37  -6.468   2.309  -3.036
  246    HA   ASP  37           HA       ASP  37  -5.106   0.009  -3.933
  247   1HB   ASP  37          2HB       ASP  37  -6.075  -1.093  -1.851
  248   2HB   ASP  37          1HB       ASP  37  -5.210   0.395  -1.590
  249    H    GLU  38           H        GLU  38  -8.465   0.850  -4.248
  250    HA   GLU  38           HA       GLU  38  -8.974  -1.828  -5.477
  251   1HB   GLU  38          2HB       GLU  38 -11.305  -1.691  -4.677
  252   2HB   GLU  38          1HB       GLU  38 -10.176  -1.649  -3.327
  253   1HG   GLU  38          2HG       GLU  38 -10.390   1.011  -3.850
  254   2HG   GLU  38          1HG       GLU  38 -11.994   0.465  -4.334
  255    H    GLN  39           H        GLN  39  -8.022   0.286  -6.988
  256    HA   GLN  39           HA       GLN  39 -10.432   1.320  -8.395
  257   1HB   GLN  39          2HB       GLN  39  -8.545   2.819  -7.308
  258   2HB   GLN  39          1HB       GLN  39  -7.733   2.439  -8.815
  259   1HG   GLN  39          2HG       GLN  39 -10.501   3.170  -9.308
  260   2HG   GLN  39          1HG       GLN  39  -9.666   4.439  -8.412
  261   1HE2  GLN  39          2HE2      GLN  39  -9.100   4.559 -12.240
  262   2HE2  GLN  39          1HE2      GLN  39 -10.514   4.156 -11.391
  263    H    GLY  40           H        GLY  40  -7.177  -0.029  -8.880
  264   1HA   GLY  40          2HA       GLY  40  -7.494  -0.274 -11.758
  265   2HA   GLY  40          1HA       GLY  40  -6.201  -0.991 -10.798
  266    H    CYS  41           HN       CYS  41  -7.791  -2.504  -9.004
  267    HA   CYS  41           HA       CYS  41  -8.195  -4.909 -10.466
  268   1HB   CYS  41          2HB       CYS  41  -7.839  -4.688  -7.977
  269   2HB   CYS  41          1HB       CYS  41  -9.516  -4.161  -7.847
   
  No H/Q in entry =         269
   
  No H/Q in entry =         269