*HEADER   SERINE PROTEINASE INHIBITOR             11-OCT-95   1OMU    
*TITLE    SOLUTION STRUCTURE OF OVOMUCOID (THIRD DOMAIN) FROM         
*TITLE   2 DOMESTIC TURKEY (298K, PH 4.1) (NMR, 50 STRUCTURES)        
*TITLE   3 (REFINED MODEL USING NETWORK EDITING ANALYSIS)             
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: OVOMUCOID (THIRD DOMAIN);                        
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: OMTKY3;                                           
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: MELEAGRIS GALLOPAVO;                  
*SOURCE  3 ORGANISM_COMMON: COMMON TURKEY;                            
*SOURCE  4 CELLULAR_LOCATION: EGG WHITE;                              
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3)/PLYSS;                
*SOURCE  7 EXPRESSION_SYSTEM_PLASMID: PTNOM3 (FUSION WITH STAPH.      
*SOURCE  8 NUCLEASE);                                                 
*SOURCE  9 EXPRESSION_SYSTEM_GENE: OM3;                               
*SOURCE 10 OTHER_DETAILS: MATERIAL PRODUCED FROM THE NATURAL SOURCE   
*SOURCE 11 WAS USED FOR A PORTION OF THE DATA. PLASMID PTNOM3 WAS     
*SOURCE 12 MODIFIED BY MUTATING TWO METHIONINES IN THE SNASE MOIETY   
*SOURCE 13 TO ALANINES TO FACILITATE PURIFICATION                     
*KEYWDS   SPIN DIFFUSION, NETWORK EDITING, BD-NOESY, CBD-NOESY        
*EXPDTA   NMR, 50 STRUCTURES                                          
*AUTHOR   C.G.HOOGSTRATEN,S.CHOE,W.M.WESTLER,J.L.MARKLEY              
*REVDAT  1   08-MAR-96 1OMU    0                                      


!X-PLOR/dg 3.1 format
!NOE-based contraints
!High-dim potential first, some are "dummy" constraints to complete pairs
class 10dim
assign (resid 45 and name Hn  ) (resid 45 and name Hb1 ) 1.90 4.39 -0.05
assign (resid 45 and name Hn  ) (resid 45 and name Hb2 ) 1.90 4.74  0.75
assign (resid 45 and name Ha  ) (resid 45 and name Hb1 ) 1.90 3.17 -1.70
assign (resid 45 and name Ha  ) (resid 45 and name Hb2 ) 1.90 4.87  1.70
assign (resid 45 and name Hd22) (resid 45 and name Hb1 ) 1.90 4.05 -1.70
assign (resid 45 and name Hd22) (resid 45 and name Hb2 ) 1.90 5.75  1.70
assign (resid 45 and name Hd21) (resid 45 and name Hb1 ) 1.90 5.28 -1.70
assign (resid 45 and name Hd21) (resid 45 and name Hb2 ) 1.90 3.58  1.70
assign (resid 47 and name Hg2*) (resid 45 and name Hb1 ) 1.90 6.14 -0.50
assign (resid 47 and name Hg2*) (resid 45 and name Hb2 ) 1.90 6.14  0.50
assign (resid 24 and name Hb2 ) (resid 51 and name Hb1 ) 1.90 5.16 -1.70
assign (resid 24 and name Hb2 ) (resid 51 and name Hb2 ) 1.90 6.86  1.70
assign (resid 26 and name Ha  ) (resid 51 and name Hb1 ) 1.90 5.28 -1.70
assign (resid 26 and name Ha  ) (resid 51 and name Hb2 ) 1.90 3.58  1.70
assign (resid 51 and name Hn  ) (resid 51 and name Hb1 ) 1.90 3.32 -0.10
assign (resid 51 and name Hn  ) (resid 51 and name Hb2 ) 1.90 3.42  0.30
assign (resid 52 and name Hn  ) (resid 51 and name Hb1 ) 1.90 4.01 -0.59
assign (resid 52 and name Hn  ) (resid 51 and name Hb2 ) 1.90 3.42  0.01
assign (resid 52 and name Hd2 ) (resid 51 and name Hb1 ) 1.90 3.58  0.07
assign (resid 52 and name Hd2 ) (resid 51 and name Hb2 ) 1.90 4.05  0.87
assign (resid 37 and name He1 ) (resid 25 and name Ha1 ) 1.90 3.58 -0.17
assign (resid 37 and name He1 ) (resid 25 and name Ha2 ) 1.90 3.81  0.63
assign (resid 48 and name Hd1*) (resid 25 and name Ha1 ) 1.90 5.03 -0.96
assign (resid 48 and name Hd1*) (resid 25 and name Ha2 ) 1.90 4.57  0.04
assign (resid 48 and name Hd2*) (resid 25 and name Ha1 ) 1.90 5.84 -0.20
assign (resid 48 and name Hd2*) (resid 25 and name Ha2 ) 1.90 6.14  0.80
assign (resid 50 and name Hd1*) (resid 25 and name Ha1 ) 1.90 6.46 -1.70
assign (resid 50 and name Hd1*) (resid 25 and name Ha2 ) 1.90 8.16  1.70
assign (resid 50 and name Ha  ) (resid 25 and name Ha1 ) 1.90 3.81  0.09
assign (resid 50 and name Ha  ) (resid 25 and name Ha2 ) 1.90 4.30  0.89
potential 10dim highdim
average 10dim center
ncount 10dim 10
bhig 10dim 0.01
class 14dim
assign (resid 23 and name Hd1*) (resid 31 and name Hb1 ) 1.90 6.14 -1.70
assign (resid 23 and name Hd1*) (resid 31 and name Hb2 ) 1.90 7.84  1.70
assign (resid 23 and name Hb* ) (resid 31 and name Hb1 ) 1.90 5.45 -1.49
assign (resid 23 and name Hb* ) (resid 31 and name Hb2 ) 1.90 4.46 -0.49
assign (resid 31 and name Hn  ) (resid 31 and name Hb1 ) 1.90 6.05 -1.70
assign (resid 31 and name Hn  ) (resid 31 and name Hb2 ) 1.90 3.48  1.70
assign (resid 31 and name Hd1 ) (resid 31 and name Hb1 ) 1.90 5.51 -1.70
assign (resid 31 and name Hd1 ) (resid 31 and name Hb2 ) 1.90 3.81  1.70
assign (resid 37 and name Hn  ) (resid 31 and name Hb1 ) 1.90 4.05 -1.70
assign (resid 37 and name Hn  ) (resid 31 and name Hb2 ) 1.90 5.75  1.70
assign (resid 37 and name Ha  ) (resid 31 and name Hb1 ) 1.90 4.30 -1.70
assign (resid 37 and name Ha  ) (resid 31 and name Hb2 ) 1.90 6.00  1.70
assign (resid 37 and name Hd1 ) (resid 31 and name Hb1 ) 1.90 4.05 -1.70
assign (resid 37 and name Hd1 ) (resid 31 and name Hb2 ) 1.90 5.75  1.70
potential 14dim highdim
average 14dim center
ncount 14dim 14 
bhig 14dim 0.01
class 16dim
assign (resid 23 and name Hd1*) (resid 37 and name Hb1 ) 1.90 5.03 -0.74
assign (resid 23 and name Hd1*) (resid 37 and name Hb2 ) 1.90 4.79  0.26
assign (resid 23 and name Hd2*) (resid 37 and name Hb1 ) 1.90 5.55 -0.50
assign (resid 23 and name Hd2*) (resid 37 and name Hb2 ) 1.90 5.55  0.50
assign (resid 23 and name Hn  ) (resid 37 and name Hb1 ) 1.90 4.82 -1.70
assign (resid 23 and name Hn  ) (resid 37 and name Hb2 ) 1.90 6.52  1.70
assign (resid 34 and name Ha  ) (resid 37 and name Hb1 ) 1.90 3.37  0.04
assign (resid 34 and name Ha  ) (resid 37 and name Hb2 ) 1.90 3.81  0.84
assign (resid 37 and name Hd1 ) (resid 37 and name Hb1 ) 1.90 4.87 -1.70
assign (resid 37 and name Hd1 ) (resid 37 and name Hb2 ) 1.90 3.17  1.70
assign (resid 38 and name Hn  ) (resid 37 and name Hb1 ) 1.90 3.37 -0.09
assign (resid 38 and name Hn  ) (resid 37 and name Hb2 ) 1.90 3.58  0.51
assign (resid 40 and name Hb* ) (resid 37 and name Hb1 ) 1.90 8.16 -1.70
assign (resid 40 and name Hb* ) (resid 37 and name Hb2 ) 1.90 6.46  1.70
assign (resid 37 and name Hd2 ) (resid 37 and name Hb1 ) 1.90 3.17 -1.70
assign (resid 37 and name Hd2 ) (resid 37 and name Hb2 ) 1.90 4.87  1.70
potential 16dim highdim
average 16dim center
ncount 16dim 16
bhig 16dim 0.01
class 2dim
assign (resid 28 and name Hn  ) (resid 28 and name Hb1 ) 1.90 4.34 -0.23
assign (resid 28 and name Hn  ) (resid 28 and name Hb2 ) 1.90 4.41  0.37
assign (resid 55 and name Hn  ) (resid 55 and name Hg1 ) 1.90 3.58 -0.17
assign (resid 55 and name Hn  ) (resid 55 and name Hg2 ) 1.90 3.81  0.63
assign (resid 41 and name Hg1*) (resid 46 and name Ha1 ) 1.90 5.84 -1.06
assign (resid 41 and name Hg1*) (resid 46 and name Ha2 ) 1.90 5.28 -0.06
potential 2dim highdim
average 2dim center
ncount 2dim 2
bhig 2dim 0.01
class 4dim
assign (resid 29 and name Hn  ) (resid 29 and name Hb1 ) 1.90 3.50  0.07
assign (resid 29 and name Hn  ) (resid 29 and name Hb2 ) 1.90 4.17  0.67
assign (resid 30 and name Hn  ) (resid 29 and name Hb1 ) 1.90 6.30 -1.70
assign (resid 30 and name Hn  ) (resid 29 and name Hb2 ) 1.90 4.25  1.70
assign (resid 55 and name Hn  ) (resid 55 and name Hb1 ) 1.90 4.08 -0.01
assign (resid 55 and name Hn  ) (resid 55 and name Hb2 ) 1.90 3.37  0.59
assign (resid 56 and name Hn  ) (resid 55 and name Hb1 ) 1.90 4.01  0.14
assign (resid 56 and name Hn  ) (resid 55 and name Hb2 ) 1.90 4.45  0.74
assign (resid 18 and name Hn  ) (resid 18 and name Hb1 ) 1.90 4.49 -1.34
assign (resid 18 and name Hn  ) (resid 18 and name Hb2 ) 1.90 3.15 -0.74
assign (resid 19 and name Hn  ) (resid 18 and name Hb1 ) 1.90 4.30 -1.70
assign (resid 19 and name Hn  ) (resid 18 and name Hb2 ) 1.90 6.00  1.70
assign (resid 42 and name Hg1*) (resid 12 and name Hg1 ) 1.90 6.14 -1.70
assign (resid 42 and name Hg1*) (resid 12 and name Hg2 ) 1.90 7.84  1.70
assign (resid 42 and name Hg2*) (resid 12 and name Hg1 ) 1.90 6.14 -1.70
assign (resid 42 and name Hg2*) (resid 12 and name Hg2 ) 1.90 7.84  1.70
assign (resid 42 and name Hg1*) (resid 12 and name Hd1 ) 1.90 5.55 -1.26
assign (resid 42 and name Hg1*) (resid 12 and name Hd2 ) 1.90 4.79 -0.26
assign (resid 42 and name Hg2*) (resid 12 and name Hd1 ) 1.90 5.55 -1.02
assign (resid 42 and name Hg2*) (resid 12 and name Hd2 ) 1.90 5.03 -0.02
assign (resid 11 and name He1 ) (resid 13 and name Hd1 ) 1.90 5.75 -1.70
assign (resid 11 and name He1 ) (resid 13 and name Hd2 ) 1.90 4.05  1.70
assign (resid 13 and name Ha  ) (resid 13 and name Hd1 ) 1.90 6.86 -1.70
assign (resid 13 and name Ha  ) (resid 13 and name Hd2 ) 1.90 5.16  1.70
assign (resid 22 and name Hb2 ) (resid 54 and name Ha1 ) 1.90 4.57 -1.02
assign (resid 22 and name Hb2 ) (resid 54 and name Ha2 ) 1.90 4.05 -0.02
assign (resid 55 and name Hn  ) (resid 54 and name Ha1 ) 1.90 3.48 -0.34
assign (resid 55 and name Hn  ) (resid 54 and name Ha2 ) 1.90 3.34  0.06
potential 4dim highdim
average 4dim center
ncount 4dim 4
bhig 4dim 0.01
class 6dim
assign (resid 31 and name Hd2 ) (resid 36 and name Hb1 ) 1.90 4.30 -1.70
assign (resid 31 and name Hd2 ) (resid 36 and name Hb2 ) 1.90 6.00  1.70
assign (resid 32 and name Hn  ) (resid 36 and name Hb1 ) 1.90 3.68 -1.70
assign (resid 32 and name Hn  ) (resid 36 and name Hb2 ) 1.90 5.38  1.70
assign (resid 36 and name Hn  ) (resid 36 and name Hb1 ) 1.90 3.40 -1.70
assign (resid 36 and name Hn  ) (resid 36 and name Hb2 ) 1.90 5.10  1.70
assign (resid 40 and name Ha  ) (resid 43 and name Hb1 ) 1.90 4.05 -0.64
assign (resid 40 and name Ha  ) (resid 43 and name Hb2 ) 1.90 3.81  0.16
assign (resid 43 and name Hn  ) (resid 43 and name Hb1 ) 1.90 3.39 -0.34
assign (resid 43 and name Hn  ) (resid 43 and name Hb2 ) 1.90 3.25  0.06
assign (resid 44 and name Hn  ) (resid 43 and name Hb1 ) 1.90 4.37 -0.34
assign (resid 44 and name Hn  ) (resid 43 and name Hb2 ) 1.90 4.33  0.26
assign (resid  9 and name Hn  ) (resid 10 and name Hb1 ) 1.90 6.56 -1.70
assign (resid  9 and name Hn  ) (resid 10 and name Hb2 ) 1.90 4.86  1.70
assign (resid 10 and name Hn  ) (resid 10 and name Hb1 ) 1.90 4.10 -1.70
assign (resid 10 and name Hn  ) (resid 10 and name Hb2 ) 1.90 5.80  1.70
assign (resid 11 and name Hn  ) (resid 10 and name Hb1 ) 1.90 6.00 -1.70
assign (resid 11 and name Hn  ) (resid 10 and name Hb2 ) 1.90 4.30  1.70
assign (resid 19 and name Hn  ) (resid 19 and name Hg1 ) 1.90 4.67 -1.70
assign (resid 19 and name Hn  ) (resid 19 and name Hg2 ) 1.90 6.37  1.70
assign (resid 20 and name Hn  ) (resid 19 and name Hg1 ) 1.90 4.78 -0.42
assign (resid 20 and name Hn  ) (resid 19 and name Hg2 ) 1.90 4.76  0.38
assign (resid 21 and name Hg* ) (resid 19 and name Hg1 ) 1.90 5.74 -0.79
assign (resid 21 and name Hg* ) (resid 19 and name Hg2 ) 1.90 5.45  0.21
assign (resid 29 and name Hn  ) (resid 29 and name Hg1 ) 1.90 4.56  0.60
assign (resid 29 and name Hn  ) (resid 29 and name Hg2 ) 1.90 6.16  1.60
assign (resid 29 and name Ha  ) (resid 29 and name Hg1 ) 1.90 5.51 -1.70
assign (resid 29 and name Ha  ) (resid 29 and name Hg2 ) 1.90 3.81  1.70
assign (resid 30 and name Hn  ) (resid 29 and name Hg1 ) 1.90 6.69 -1.70
assign (resid 30 and name Hn  ) (resid 29 and name Hg2 ) 1.90 4.99  1.70
potential 6dim highdim
average 6dim center
ncount 6dim 6
bhig 6dim 0.01
class 8dim
assign (resid 26 and name Hn  ) (resid 26 and name Hb1 ) 1.90 3.68 -0.53
assign (resid 26 and name Hn  ) (resid 26 and name Hb2 ) 1.90 3.35 -0.13
assign (resid 26 and name Ha  ) (resid 26 and name Hb1 ) 1.90 4.69 -1.70
assign (resid 26 and name Ha  ) (resid 26 and name Hb2 ) 1.90 2.99  1.70
assign (resid 48 and name Hd1*) (resid 26 and name Hb1 ) 1.90 5.84 -1.70
assign (resid 48 and name Hd1*) (resid 26 and name Hb2 ) 1.90 7.54  1.70
assign (resid 49 and name Hg2*) (resid 26 and name Hb1 ) 1.90 5.55 -0.77
assign (resid 49 and name Hg2*) (resid 26 and name Hb2 ) 1.90 5.28  0.23
assign (resid 11 and name Ha  ) (resid 13 and name Hg1 ) 1.90 5.51 -1.70
assign (resid 11 and name Ha  ) (resid 13 and name Hg2 ) 1.90 3.81  1.70
assign (resid 11 and name He1 ) (resid 13 and name Hg1 ) 1.90 6.27 -1.70
assign (resid 11 and name He1 ) (resid 13 and name Hg2 ) 1.90 4.57  1.70
assign (resid 13 and name Hn  ) (resid 13 and name Hg1 ) 1.90 6.27 -1.70
assign (resid 13 and name Hn  ) (resid 13 and name Hg2 ) 1.90 4.57  1.70
assign (resid 13 and name Ha  ) (resid 13 and name Hg1 ) 1.90 3.81 -1.70
assign (resid 13 and name Ha  ) (resid 13 and name Hg2 ) 1.90 5.51  1.70
assign (resid  6 and name Hg* ) (resid 34 and name Hg1 ) 1.90 6.82 -1.70
assign (resid  6 and name Hg* ) (resid 34 and name Hg2 ) 1.90 8.52  1.70
assign (resid 33 and name Hd22) (resid 34 and name Hg1 ) 1.90 6.00 -1.70
assign (resid 33 and name Hd22) (resid 34 and name Hg2 ) 1.90 4.30  1.70
assign (resid 34 and name Hn  ) (resid 34 and name Hg1 ) 1.90 4.67 -1.70
assign (resid 34 and name Hn  ) (resid 34 and name Hg2 ) 1.90 6.37  1.70
assign (resid 34 and name Ha  ) (resid 34 and name Hg1 ) 1.90 4.05 -1.70
assign (resid 34 and name Ha  ) (resid 34 and name Hg2 ) 1.90 5.75  1.70
assign (resid 13 and name Ha  ) (resid 14 and name Hd1 ) 1.90 3.17 -0.48
assign (resid 13 and name Ha  ) (resid 14 and name Hd2 ) 1.90 2.99  0.12
assign (resid 13 and name Hb2 ) (resid 14 and name Hd1 ) 1.90 4.30  0.36
assign (resid 13 and name Hb2 ) (resid 14 and name Hd2 ) 1.90 5.16  1.36
assign (resid 13 and name Hb1 ) (resid 14 and name Hd1 ) 1.90 3.81  0.09
assign (resid 13 and name Hb1 ) (resid 14 and name Hd2 ) 1.90 4.30  0.89
assign (resid 15 and name Hn  ) (resid 14 and name Hd1 ) 1.90 3.81  0.09
assign (resid 15 and name Hn  ) (resid 14 and name Hd2 ) 1.90 4.30  0.89
assign (resid 20 and name Hd2 ) (resid 32 and name Ha1 ) 1.90 4.30 -0.40
assign (resid 20 and name Hd2 ) (resid 32 and name Ha2 ) 1.90 4.30  0.40
assign (resid 20 and name He2 ) (resid 32 and name Ha1 ) 1.90 4.86 -1.06
assign (resid 20 and name He2 ) (resid 32 and name Ha2 ) 1.90 4.30 -0.06
assign (resid 22 and name Ha  ) (resid 32 and name Ha1 ) 1.90 6.27 -1.70
assign (resid 22 and name Ha  ) (resid 32 and name Ha2 ) 1.90 4.57  1.70
assign (resid 22 and name Hb1 ) (resid 32 and name Ha1 ) 1.90 6.56 -1.70
assign (resid 22 and name Hb1 ) (resid 32 and name Ha2 ) 1.90 4.86  1.70
potential 8dim highdim
average 8dim center
ncount 8dim 8
bhig 8dim 0.01
class lowD
assign (resid  1 and name Ha  ) (resid  2 and name Hn  ) 2.99 1.09 0.00
assign (resid  3 and name Hb* ) (resid  4 and name Hn  ) 4.36 2.46 0.00
assign (resid  3 and name Hb* ) (resid  5 and name Hn  ) 5.55 3.65 0.00
assign (resid  3 and name Ha  ) (resid  4 and name Hn  ) 2.81 0.91 0.00
assign (resid  4 and name Hg* ) (resid  4 and name Hn  ) 4.16 2.26 1.54
assign (resid  4 and name Hg* ) (resid  5 and name Hn  ) 4.79 2.89 1.54
assign (resid  4 and name Hg* ) (resid 50 and name Hd2*) 6.59 4.69 1.54
assign (resid  4 and name Hg* ) (resid 52 and name Ha  ) 5.03 3.13 1.54
assign (resid  4 and name Hg* ) (resid 53 and name Hn  ) 5.55 3.65 1.54
assign (resid  4 and name Hg* ) (resid  4 and name Hn  ) 4.79 2.89 1.54
assign (resid  4 and name Hg* ) (resid  5 and name Hn  ) 4.57 2.67 1.54
assign (resid  4 and name Hg* ) (resid  5 and name Ha  ) 5.84 3.94 1.54
assign (resid  4 and name Hg* ) (resid 53 and name Hd2 ) 6.14 4.24 1.54
assign (resid  4 and name Ha  ) (resid  5 and name Hn  ) 2.49 0.59 0.00
assign (resid  4 and name Hb  ) (resid 50 and name Hd2*) 5.84 3.94 0.00
assign (resid  4 and name Hb  ) (resid 53 and name He2 ) 5.16 3.26 0.00
assign (resid  5 and name Hn  ) (resid 53 and name He2 ) 4.30 2.40 0.00
assign (resid  5 and name Ha  ) (resid  6 and name Hg* ) 5.84 3.94 1.54
assign (resid  5 and name Ha  ) (resid  6 and name Hn  ) 2.45 0.55 0.70
assign (resid  5 and name Ha  ) (resid 50 and name Hd2*) 5.28 3.38 0.00
assign (resid  5 and name Hb* ) (resid  6 and name Hg* ) 6.14 4.24 2.42
assign (resid  5 and name Hb* ) (resid 50 and name Hd2*) 6.14 4.24 0.88
assign (resid  6 and name Hg* ) (resid  6 and name Hn  ) 3.26 1.36 3.54
assign (resid  6 and name Hg* ) (resid  7 and name Hn  ) 4.79 2.89 1.54
assign (resid  6 and name Hg* ) (resid 23 and name Hd1*) 7.18 5.28 1.54
assign (resid  6 and name Hg* ) (resid 23 and name Hd2*) 6.59 4.69 1.54
assign (resid  6 and name Hg* ) (resid 34 and name He2 ) 6.14 4.24 1.54
assign (resid  6 and name Hg* ) (resid 37 and name Hd2 ) 5.03 3.13 1.54
assign (resid  6 and name Hg* ) (resid 37 and name He2 ) 5.03 3.13 1.54
assign (resid  6 and name Hg* ) (resid 50 and name Hd1*) 6.59 4.69 1.54
assign (resid  6 and name Hg* ) (resid 50 and name Hd2*) 5.83 3.93 1.54
assign (resid  6 and name Hg* ) (resid 53 and name He1 ) 5.03 3.13 1.54
assign (resid  6 and name Hg* ) (resid  6 and name Hn  ) 3.26 1.36 3.54
assign (resid  6 and name Hg* ) (resid  7 and name Hn  ) 4.57 2.67 1.54
assign (resid  6 and name Hg* ) (resid 23 and name Hd1*) 6.59 4.69 1.54
assign (resid  6 and name Hg* ) (resid 23 and name Hd2*) 6.59 4.69 1.54
assign (resid  6 and name Hg* ) (resid 34 and name He2 ) 5.84 3.94 1.54
assign (resid  6 and name Hg* ) (resid 37 and name Hd2 ) 4.79 2.89 1.54
assign (resid  6 and name Hg* ) (resid 37 and name He2 ) 5.03 3.13 1.54
assign (resid  6 and name Hg* ) (resid 50 and name Hd2*) 6.32 4.42 1.54
assign (resid  6 and name Hg* ) (resid 53 and name He1 ) 5.03 3.13 1.54
assign (resid  6 and name Hn  ) (resid 50 and name Hd2*) 5.28 3.38 0.00
assign (resid  6 and name Ha  ) (resid  7 and name Hn  ) 2.15 0.25 0.70
assign (resid  6 and name Ha  ) (resid 50 and name Hd2*) 6.46 4.56 0.00
assign (resid  6 and name Hb  ) (resid  7 and name Hn  ) 2.91 1.01 0.70
assign (resid  6 and name Hb  ) (resid 37 and name Hd2 ) 4.86 2.96 0.00
assign (resid  6 and name Hb  ) (resid 37 and name He2 ) 4.05 2.15 0.00
assign (resid  6 and name Hb  ) (resid 50 and name Hd2*) 6.14 4.24 0.00
assign (resid  7 and name Hn  ) (resid  7 and name Hb1 ) 2.88 0.98 0.70
assign (resid  7 and name Hn  ) (resid  7 and name Hb2 ) 2.53 0.63 0.70
assign (resid  8 and name Hn  ) (resid  8 and name Hb2 ) 2.61 0.71 0.70
assign (resid  8 and name Hn  ) (resid  8 and name Hb1 ) 3.30 1.40 1.00
assign (resid  8 and name Hn  ) (resid  9 and name Hn  ) 2.29 0.39 0.50
assign (resid  8 and name Ha  ) (resid 10 and name Hn  ) 6.30 4.40 0.00
assign (resid  8 and name Ha  ) (resid 11 and name Hn  ) 4.57 2.67 0.00
assign (resid  8 and name Ha  ) (resid 11 and name Hd2 ) 3.17 1.27 0.00
assign (resid  8 and name Ha  ) (resid 38 and name Hb1 ) 4.30 2.40 0.00
assign (resid  8 and name Ha  ) (resid 38 and name Hb2 ) 5.16 3.26 0.00
assign (resid  8 and name Hb2 ) (resid  9 and name Hn  ) 4.57 2.67 0.00
assign (resid  8 and name Hb2 ) (resid 11 and name Hd2 ) 4.57 2.67 0.00
assign (resid  8 and name Hb2 ) (resid 41 and name Hg1*) 5.55 3.65 0.00
assign (resid  8 and name Hb2 ) (resid 42 and name Hg1*) 6.14 4.24 0.00
assign (resid  8 and name Hb1 ) (resid 11 and name Hd2 ) 4.86 2.96 0.00
assign (resid  8 and name Hb1 ) (resid 38 and name Hb2 ) 4.86 2.96 0.00
assign (resid  8 and name Hb1 ) (resid 41 and name Hg1*) 6.14 4.24 0.00
assign (resid  8 and name Hb1 ) (resid 42 and name Hg2*) 6.14 4.24 0.00
assign (resid  9 and name Hn  ) (resid  9 and name Hb1 ) 3.58 1.68 0.00
assign (resid  9 and name Hn  ) (resid  9 and name Hb2 ) 3.81 1.91 0.00
assign (resid  9 and name Hn  ) (resid 10 and name Hg* ) 4.86 2.96 0.88
assign (resid  9 and name Hn  ) (resid 11 and name Hn  ) 3.57 1.67 1.52
assign (resid  9 and name Hn  ) (resid 11 and name Hd2 ) 4.57 2.67 0.00
assign (resid  9 and name Ha  ) (resid  9 and name Hb1 ) 3.17 1.27 0.00
assign (resid  9 and name Ha  ) (resid 10 and name Hn  ) 2.40 0.50 0.70
assign (resid  9 and name Ha  ) (resid 11 and name Hn  ) 4.57 2.67 0.00
assign (resid  9 and name Hb1 ) (resid 10 and name Hn  ) 4.05 2.15 0.00
assign (resid  9 and name Hb2 ) (resid 10 and name Hn  ) 4.57 2.67 0.00
assign (resid 10 and name Hn  ) (resid 10 and name Hg* ) 2.99 1.09 1.58
assign (resid 10 and name Hn  ) (resid 11 and name Hn  ) 2.59 0.69 0.50
assign (resid 10 and name Hn  ) (resid 11 and name Hd2 ) 2.68 0.78 0.50
assign (resid 10 and name Hg* ) (resid 11 and name Hn  ) 4.86 2.96 0.88
assign (resid 11 and name Hn  ) (resid 11 and name Hd2 ) 3.37 1.47 0.00
assign (resid 11 and name Hn  ) (resid 12 and name Ha  ) 4.30 2.40 0.00
assign (resid 11 and name Hn  ) (resid 42 and name Hg1*) 5.28 3.38 0.00
assign (resid 11 and name Ha  ) (resid 11 and name Hd1 ) 3.81 1.91 0.00
assign (resid 11 and name Ha  ) (resid 12 and name Ha  ) 3.37 1.47 0.00
assign (resid 11 and name Ha  ) (resid 13 and name Hn  ) 3.40 1.50 1.00
assign (resid 11 and name Hb2 ) (resid 11 and name Hd2 ) 3.58 1.68 0.00
assign (resid 11 and name Hb2 ) (resid 12 and name Ha  ) 3.58 1.68 0.00
assign (resid 11 and name Hb2 ) (resid 42 and name Hg1*) 5.28 3.38 0.00
assign (resid 11 and name Hb2 ) (resid 42 and name Hg2*) 5.55 3.65 0.00
assign (resid 11 and name Hb1 ) (resid 11 and name Hd1 ) 3.37 1.47 0.00
assign (resid 11 and name Hb1 ) (resid 12 and name Ha  ) 3.17 1.27 0.00
assign (resid 11 and name Hb1 ) (resid 13 and name Hn  ) 6.30 4.40 0.00
assign (resid 11 and name Hb1 ) (resid 42 and name Hg1*) 5.03 3.13 0.00
assign (resid 11 and name Hb1 ) (resid 42 and name Hg2*) 5.55 3.65 0.00
assign (resid 11 and name Hd1 ) (resid 12 and name Ha  ) 3.37 1.47 0.00
assign (resid 11 and name Hd1 ) (resid 13 and name Hn  ) 3.58 1.68 0.00
assign (resid 11 and name Hd1 ) (resid 39 and name Hn  ) 4.30 2.40 0.00
assign (resid 11 and name Hd1 ) (resid 39 and name Ha  ) 4.57 2.67 0.00
assign (resid 11 and name Hd2 ) (resid 38 and name Hb1 ) 3.81 1.91 0.00
assign (resid 11 and name Hd2 ) (resid 38 and name Hb2 ) 4.30 2.40 0.00
assign (resid 11 and name Hd2 ) (resid 42 and name Hg1*) 6.14 4.24 0.00
assign (resid 11 and name He1 ) (resid 13 and name Hb2 ) 4.05 2.15 0.00
assign (resid 11 and name He1 ) (resid 13 and name Hb1 ) 5.16 3.26 0.00
assign (resid 11 and name He1 ) (resid 34 and name He1 ) 4.57 2.67 0.00
assign (resid 11 and name He1 ) (resid 35 and name Hn  ) 4.30 2.40 0.00
assign (resid 11 and name He1 ) (resid 35 and name Ha  ) 3.17 1.27 0.00
assign (resid 11 and name He1 ) (resid 35 and name Hb2 ) 4.86 2.96 0.00
assign (resid 12 and name Ha  ) (resid 39 and name Ha  ) 4.05 2.15 0.00
assign (resid 12 and name Ha  ) (resid 42 and name Hg1*) 5.03 3.13 0.00
assign (resid 12 and name Ha  ) (resid 42 and name Hg2*) 6.14 4.24 0.00
assign (resid 12 and name Hb2 ) (resid 13 and name Hn  ) 3.05 1.15 1.00
assign (resid 12 and name Hb2 ) (resid 42 and name Hg1*) 6.14 4.24 0.00
assign (resid 12 and name Hb1 ) (resid 13 and name Hn  ) 3.60 1.70 1.00
assign (resid 12 and name Hb1 ) (resid 39 and name Ha  ) 4.86 2.96 0.00
assign (resid 12 and name Hb1 ) (resid 42 and name Hg1*) 5.28 3.38 0.00
assign (resid 12 and name Hb1 ) (resid 42 and name Hg2*) 5.84 3.94 0.00
assign (resid 13 and name Hn  ) (resid 39 and name Hd21) 6.30 4.40 0.00
assign (resid 13 and name Hn  ) (resid 39 and name Hd22) 3.02 1.12 1.00
assign (resid 13 and name Ha  ) (resid 15 and name Hn  ) 4.57 2.67 0.00
assign (resid 13 and name Hb2 ) (resid 15 and name Hn  ) 4.05 2.15 0.00
assign (resid 13 and name Hb1 ) (resid 15 and name Hn  ) 3.81 1.91 0.00
assign (resid 14 and name Ha  ) (resid 15 and name Hn  ) 3.37 1.47 0.00
assign (resid 14 and name Hg* ) (resid 15 and name Hn  ) 3.37 1.47 0.88
assign (resid 15 and name Hb* ) (resid 16 and name Hn  ) 3.54 1.64 2.00
assign (resid 15 and name Hn  ) (resid 16 and name Hn  ) 4.30 2.40 0.00
assign (resid 15 and name Ha  ) (resid 16 and name Hn  ) 2.27 0.37 0.70
assign (resid 16 and name Hn  ) (resid 16 and name Hb1 ) 4.42 2.52 1.50
assign (resid 16 and name Hn  ) (resid 16 and name Hb2 ) 2.80 0.90 0.70
assign (resid 16 and name Ha  ) (resid 17 and name Hg2*) 5.55 3.65 0.00
assign (resid 16 and name Ha  ) (resid 17 and name Hn  ) 2.64 0.74 0.70
assign (resid 16 and name Ha  ) (resid 35 and name Hb1 ) 4.86 2.96 0.00
assign (resid 16 and name Ha  ) (resid 35 and name Hb2 ) 4.86 2.96 0.00
assign (resid 16 and name Hb1 ) (resid 17 and name Hn  ) 2.72 0.82 0.70
assign (resid 16 and name Hb1 ) (resid 33 and name Hd22) 4.30 2.40 0.00
assign (resid 16 and name Hb1 ) (resid 36 and name Hn  ) 4.57 2.67 0.00
assign (resid 16 and name Hb1 ) (resid 36 and name Hd21) 4.57 2.67 0.00
assign (resid 16 and name Hb1 ) (resid 36 and name Hd22) 4.05 2.15 0.00
assign (resid 16 and name Hb2 ) (resid 17 and name Hn  ) 4.16 2.26 1.50
assign (resid 16 and name Hb2 ) (resid 33 and name Hd22) 4.30 2.40 0.00
assign (resid 16 and name Hb2 ) (resid 36 and name Hd21) 4.05 2.15 0.00
assign (resid 16 and name Hb2 ) (resid 36 and name Hd22) 3.81 1.91 0.00
assign (resid 17 and name Hg2*) (resid 17 and name Hn  ) 3.24 1.34 2.00
assign (resid 17 and name Hg2*) (resid 17 and name Ha  ) 3.98 2.08 0.00
assign (resid 17 and name Hg2*) (resid 18 and name Hn  ) 4.94 3.04 2.50
assign (resid 17 and name Hg2*) (resid 19 and name Hn  ) 5.82 3.92 2.50
assign (resid 17 and name Ha  ) (resid 18 and name Hd* ) 5.55 3.65 1.54
assign (resid 17 and name Ha  ) (resid 18 and name Hn  ) 2.38 0.48 0.70
assign (resid 17 and name Hb  ) (resid 18 and name Hd* ) 6.81 4.91 1.54
assign (resid 17 and name Hb  ) (resid 18 and name Hn  ) 2.44 0.54 0.70
assign (resid 17 and name Hb  ) (resid 19 and name Hn  ) 3.13 1.23 1.00
assign (resid 18 and name Hd* ) (resid 18 and name Hn  ) 4.79 2.89 1.54
assign (resid 18 and name Hd* ) (resid 18 and name Ha  ) 4.16 2.26 1.54
assign (resid 18 and name Hd* ) (resid 19 and name Hn  ) 5.28 3.38 1.54
assign (resid 18 and name Hd* ) (resid 18 and name Hn  ) 4.79 2.89 1.54
assign (resid 18 and name Hd* ) (resid 19 and name Hn  ) 5.55 3.65 1.54
assign (resid 18 and name Hn  ) (resid 18 and name Hg  ) 3.37 1.47 0.00
assign (resid 18 and name Hn  ) (resid 19 and name Hn  ) 2.54 0.64 0.50
assign (resid 18 and name Ha  ) (resid 19 and name Hn  ) 3.04 1.14 1.00
assign (resid 18 and name Ha  ) (resid 33 and name Hd21) 4.86 2.96 0.00
assign (resid 18 and name Ha  ) (resid 33 and name Hd22) 4.05 2.15 0.00
assign (resid 19 and name Hn  ) (resid 20 and name Hn  ) 6.30 4.40 0.00
assign (resid 19 and name Ha  ) (resid 20 and name Hn  ) 2.20 0.30 0.70
assign (resid 19 and name Hb* ) (resid 21 and name Hg* ) 4.05 2.15 1.76
assign (resid 20 and name Hn  ) (resid 20 and name Hb2 ) 2.96 1.06 0.70
assign (resid 20 and name Hn  ) (resid 20 and name Hb1 ) 2.72 0.82 0.70
assign (resid 20 and name Ha  ) (resid 20 and name Hd2 ) 3.17 1.27 0.00
assign (resid 20 and name Ha  ) (resid 21 and name Hn  ) 2.31 0.41 0.70
assign (resid 20 and name Ha  ) (resid 21 and name Hb* ) 4.86 2.96 0.88
assign (resid 20 and name Ha  ) (resid 33 and name Hb2 ) 4.86 2.96 0.00
assign (resid 20 and name Ha  ) (resid 33 and name Hd21) 4.86 2.96 0.00
assign (resid 20 and name Hb2 ) (resid 20 and name Hd2 ) 3.37 1.47 0.00
assign (resid 20 and name Hb2 ) (resid 21 and name Hn  ) 4.27 2.37 1.50
assign (resid 20 and name Hb1 ) (resid 20 and name Hd1 ) 3.17 1.27 0.00
assign (resid 20 and name Hb1 ) (resid 21 and name Hn  ) 3.93 2.03 1.00
assign (resid 20 and name Hd1 ) (resid 22 and name Hg* ) 4.30 2.40 0.88
assign (resid 20 and name Hd1 ) (resid 22 and name Hd* ) 4.86 2.96 0.88
assign (resid 20 and name Hd2 ) (resid 21 and name Hn  ) 3.92 2.02 1.00
assign (resid 20 and name He1 ) (resid 22 and name Hg* ) 4.05 2.15 0.88
assign (resid 20 and name He1 ) (resid 22 and name Hd* ) 5.16 3.26 0.88
assign (resid 20 and name He2 ) (resid 22 and name Hb1 ) 3.58 1.68 0.00
assign (resid 20 and name He2 ) (resid 30 and name Hg2*) 5.28 3.38 0.00
assign (resid 20 and name He2 ) (resid 32 and name Hn  ) 4.57 2.67 0.00
assign (resid 21 and name Hn  ) (resid 21 and name Hg* ) 4.18 2.28 2.38
assign (resid 21 and name Hn  ) (resid 33 and name Hb1 ) 4.30 2.40 0.00
assign (resid 21 and name Hn  ) (resid 33 and name Hb2 ) 2.68 0.78 0.70
assign (resid 21 and name Ha  ) (resid 21 and name Hg* ) 3.37 1.47 0.88
assign (resid 21 and name Ha  ) (resid 22 and name Hd* ) 2.99 1.09 0.88
assign (resid 21 and name Hb* ) (resid 33 and name Ha  ) 4.05 2.15 0.88
assign (resid 21 and name Hb* ) (resid 33 and name Hb2 ) 4.86 2.96 0.88
assign (resid 21 and name Hg* ) (resid 21 and name He  ) 3.58 1.68 0.88
assign (resid 22 and name Ha  ) (resid 23 and name Hd1*) 5.84 3.94 0.00
assign (resid 22 and name Ha  ) (resid 23 and name Hn  ) 2.21 0.31 0.70
assign (resid 22 and name Hb2 ) (resid 23 and name Hn  ) 3.83 1.93 1.00
assign (resid 22 and name Hb2 ) (resid 55 and name Hn  ) 3.81 1.91 0.00
assign (resid 22 and name Hb2 ) (resid 55 and name Ha  ) 4.30 2.40 0.00
assign (resid 23 and name Hd1*) (resid 23 and name Hn  ) 4.79 2.89 0.00
assign (resid 23 and name Hd1*) (resid 33 and name Hn  ) 4.35 2.45 2.50
assign (resid 23 and name Hd1*) (resid 33 and name Ha  ) 5.03 3.13 0.00
assign (resid 23 and name Hd1*) (resid 34 and name Hn  ) 3.95 2.05 2.00
assign (resid 23 and name Hd1*) (resid 34 and name Ha  ) 4.36 2.46 0.00
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assign (resid 23 and name Hd1*) (resid 34 and name Hb1 ) 5.84 3.94 0.00
assign (resid 23 and name Hd1*) (resid 37 and name Hn  ) 4.79 2.89 0.00
assign (resid 23 and name Hd1*) (resid 37 and name Ha  ) 6.81 4.91 0.00
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assign (resid 23 and name Hd1*) (resid 53 and name Hd1 ) 5.55 3.65 0.00
assign (resid 23 and name Hd1*) (resid 53 and name He1 ) 6.14 4.24 0.00
assign (resid 23 and name Hd2*) (resid 23 and name Hn  ) 5.28 3.38 0.00
assign (resid 23 and name Hd2*) (resid 23 and name Ha  ) 4.79 2.89 0.00
assign (resid 23 and name Hd2*) (resid 24 and name Hn  ) 5.28 3.38 0.00
assign (resid 23 and name Hd2*) (resid 33 and name Ha  ) 5.55 3.65 0.00
assign (resid 23 and name Hd2*) (resid 34 and name Hn  ) 5.55 3.65 0.00
assign (resid 23 and name Hd2*) (resid 34 and name Ha  ) 5.28 3.38 0.00
assign (resid 23 and name Hd2*) (resid 34 and name Hb2 ) 5.84 3.94 0.00
assign (resid 23 and name Hd2*) (resid 37 and name Hd2 ) 5.55 3.65 0.00
assign (resid 23 and name Hd2*) (resid 50 and name Hd1*) 5.83 3.93 0.00
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assign (resid 23 and name Hd2*) (resid 53 and name Ha  ) 5.03 3.13 0.00
assign (resid 23 and name Hd2*) (resid 53 and name Hb2 ) 6.81 4.91 0.00
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assign (resid 23 and name Hd2*) (resid 53 and name Hd1 ) 4.79 2.89 0.00
assign (resid 23 and name Hd2*) (resid 53 and name He1 ) 5.03 3.13 0.00
assign (resid 23 and name Hd2*) (resid 54 and name Hn  ) 4.43 2.53 2.50
assign (resid 23 and name Hn  ) (resid 23 and name Hg  ) 3.15 1.25 1.00
assign (resid 23 and name Hn  ) (resid 30 and name Hg2*) 4.79 2.89 0.00
assign (resid 23 and name Hn  ) (resid 31 and name Hn  ) 3.01 1.00 1.00
assign (resid 23 and name Ha  ) (resid 24 and name Hn  ) 3.17 1.27 0.00
assign (resid 23 and name Ha  ) (resid 50 and name Hd1*) 5.55 3.65 0.00
assign (resid 23 and name Hb* ) (resid 31 and name Hn  ) 4.57 2.67 0.88
assign (resid 23 and name Hb* ) (resid 37 and name Hd1 ) 4.05 2.15 0.88
assign (resid 23 and name Hb* ) (resid 50 and name Hd1*) 4.36 2.46 0.88
assign (resid 23 and name Hb* ) (resid 54 and name Hn  ) 4.51 2.61 2.38
assign (resid 23 and name Hg  ) (resid 33 and name Ha  ) 5.16 3.26 0.00
assign (resid 23 and name Hg  ) (resid 50 and name Hd1*) 6.14 4.24 0.00
assign (resid 23 and name Hg  ) (resid 53 and name Hd1 ) 4.86 2.96 0.00
assign (resid 24 and name Hn  ) (resid 24 and name Hb2 ) 2.75 0.85 0.70
assign (resid 24 and name Hn  ) (resid 24 and name Hb1 ) 3.07 1.17 1.00
assign (resid 24 and name Hn  ) (resid 50 and name Hd1*) 4.25 2.35 2.50
assign (resid 24 and name Hn  ) (resid 52 and name Hn  ) 3.05 1.00 1.00
assign (resid 24 and name Hn  ) (resid 53 and name Ha  ) 4.30 2.40 0.00
assign (resid 24 and name Ha  ) (resid 30 and name Hg2*) 5.84 3.94 0.00
assign (resid 24 and name Ha  ) (resid 30 and name Ha  ) 3.17 1.27 0.00
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assign (resid 24 and name Hb2 ) (resid 52 and name He1 ) 4.30 2.40 0.00
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assign (resid 24 and name Hb1 ) (resid 30 and name Ha  ) 4.86 2.96 0.00
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assign (resid 25 and name Hn  ) (resid 31 and name Hd1 ) 4.05 2.15 0.00
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assign (resid 26 and name Hn  ) (resid 48 and name Hd2*) 5.55 3.65 0.00
assign (resid 26 and name Hn  ) (resid 48 and name Hg  ) 4.05 2.15 0.00
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assign (resid 26 and name Ha  ) (resid 28 and name Hn  ) 3.31 1.41 1.00
assign (resid 27 and name Hn  ) (resid 27 and name Hb1 ) 3.06 1.16 1.00
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assign (resid 27 and name Hn  ) (resid 29 and name Hn  ) 2.98 1.08 0.50
assign (resid 27 and name Hn  ) (resid 48 and name Hd1*) 3.25 1.35 2.00
assign (resid 27 and name Ha  ) (resid 27 and name Hb1 ) 3.17 1.27 0.00
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assign (resid 28 and name Hn  ) (resid 28 and name Ha  ) 2.10 0.20 0.70
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assign (resid 28 and name Hn  ) (resid 48 and name Hd1*) 7.28 5.38 0.00
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assign (resid 31 and name Hn  ) (resid 31 and name Hd1 ) 4.86 2.96 0.00
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assign (resid 32 and name Hn  ) (resid 36 and name Hd21) 4.57 2.67 0.00
assign (resid 33 and name Hn  ) (resid 33 and name Hb1 ) 3.46 1.56 1.00
assign (resid 33 and name Hn  ) (resid 33 and name Hd22) 4.86 2.96 0.00
assign (resid 33 and name Hn  ) (resid 36 and name Hd21) 3.58 1.68 1.00
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assign (resid 33 and name Hd22) (resid 34 and name Hn  ) 4.86 2.96 0.00
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assign (resid 34 and name Hn  ) (resid 34 and name Hd* ) 3.81 1.91 0.88
assign (resid 34 and name Hn  ) (resid 35 and name Hn  ) 2.83 0.50 0.50
assign (resid 34 and name Ha  ) (resid 37 and name Hn  ) 3.58 1.68 0.00
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assign (resid 35 and name Hn  ) (resid 35 and name Hb1 ) 2.54 0.64 0.70
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assign (resid 37 and name Ha  ) (resid 40 and name Hb* ) 4.79 2.89 0.00
assign (resid 37 and name Ha  ) (resid 40 and name Hn  ) 3.57 1.67 1.00
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assign (resid 37 and name He1 ) (resid 48 and name Hg  ) 3.81 1.91 0.00
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assign (resid 37 and name Hz  ) (resid 50 and name Ha  ) 3.58 1.68 0.00
assign (resid 37 and name Hz  ) (resid 50 and name Hb2 ) 4.05 2.15 0.00
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assign (resid 38 and name Hn  ) (resid 38 and name Hb1 ) 3.44 1.54 1.00
assign (resid 38 and name Hn  ) (resid 38 and name Hb2 ) 2.66 0.76 0.70
assign (resid 38 and name Hn  ) (resid 39 and name Hn  ) 2.58 0.50 0.50
assign (resid 38 and name Hn  ) (resid 41 and name Hg2*) 5.28 3.38 0.00
assign (resid 38 and name Ha  ) (resid 40 and name Hb* ) 6.14 4.24 0.00
assign (resid 38 and name Ha  ) (resid 41 and name Hg1*) 5.55 3.65 0.00
assign (resid 38 and name Ha  ) (resid 41 and name Hg2*) 4.57 2.67 0.00
assign (resid 38 and name Ha  ) (resid 41 and name Hn  ) 2.94 1.04 0.70
assign (resid 38 and name Ha  ) (resid 41 and name Hb  ) 3.17 1.27 0.00
assign (resid 38 and name Ha  ) (resid 42 and name Hn  ) 4.05 2.15 0.00
assign (resid 38 and name Hb1 ) (resid 39 and name Hn  ) 6.05 4.15 1.50
assign (resid 38 and name Hb2 ) (resid 39 and name Hn  ) 3.86 1.96 1.00
assign (resid 39 and name Hn  ) (resid 39 and name Hb2 ) 2.62 0.72 0.70
assign (resid 39 and name Hn  ) (resid 39 and name Hb1 ) 3.19 1.29 1.00
assign (resid 39 and name Hn  ) (resid 39 and name Hd21) 3.60 1.70 1.00
assign (resid 39 and name Hn  ) (resid 39 and name Hd22) 3.54 1.64 1.00
assign (resid 39 and name Hn  ) (resid 40 and name Hn  ) 2.44 0.50 0.50
assign (resid 39 and name Ha  ) (resid 42 and name Hg1*) 4.79 2.89 0.00
assign (resid 39 and name Ha  ) (resid 42 and name Hg2*) 5.55 3.65 0.00
assign (resid 39 and name Ha  ) (resid 42 and name Hn  ) 3.44 1.54 1.00
assign (resid 39 and name Ha  ) (resid 42 and name Hb  ) 4.30 2.40 0.00
assign (resid 39 and name Hb2 ) (resid 39 and name Hd21) 3.58 1.68 0.00
assign (resid 39 and name Hb2 ) (resid 39 and name Hd22) 4.05 2.15 0.00
assign (resid 39 and name Hb2 ) (resid 40 and name Hn  ) 3.34 1.44 1.00
assign (resid 39 and name Hb1 ) (resid 39 and name Hd22) 3.81 1.91 0.00
assign (resid 39 and name Hb1 ) (resid 40 and name Hn  ) 3.54 1.64 1.00
assign (resid 40 and name Hb* ) (resid 41 and name Hg2*) 7.51 5.61 0.00
assign (resid 40 and name Hb* ) (resid 41 and name Hn  ) 3.65 1.75 2.00
assign (resid 40 and name Hb* ) (resid 41 and name Ha  ) 6.14 4.24 0.00
assign (resid 40 and name Hb* ) (resid 43 and name Hn  ) 6.03 4.13 2.50
assign (resid 40 and name Hb* ) (resid 48 and name Hd2*) 5.19 3.29 0.00
assign (resid 40 and name Hn  ) (resid 41 and name Hg2*) 7.03 5.13 0.00
assign (resid 40 and name Hn  ) (resid 41 and name Hn  ) 2.42 0.50 0.50
assign (resid 40 and name Hn  ) (resid 42 and name Hn  ) 3.09 1.00 1.29
assign (resid 40 and name Ha  ) (resid 43 and name Hn  ) 3.18 1.28 1.00
assign (resid 40 and name Ha  ) (resid 44 and name Hn  ) 4.57 2.67 0.00
assign (resid 41 and name Hg1*) (resid 41 and name Hn  ) 5.75 3.85 2.50
assign (resid 41 and name Hg1*) (resid 42 and name Hg1*) 7.18 5.28 0.00
assign (resid 41 and name Hg1*) (resid 42 and name Hg2*) 6.88 4.98 0.00
assign (resid 41 and name Hg1*) (resid 42 and name Hn  ) 4.15 2.25 2.50
assign (resid 41 and name Hg1*) (resid 42 and name Ha  ) 5.03 3.13 0.00
assign (resid 41 and name Hg1*) (resid 46 and name Hn  ) 4.86 2.96 2.50
assign (resid 41 and name Hg1*) (resid 47 and name Hn  ) 5.84 3.94 0.00
assign (resid 41 and name Hg1*) (resid 48 and name Hn  ) 5.41 3.51 2.50
assign (resid 41 and name Hg1*) (resid 49 and name Ha  ) 6.14 4.24 0.00
assign (resid 41 and name Hg2*) (resid 41 and name Hn  ) 3.34 1.44 2.00
assign (resid 41 and name Hg2*) (resid 42 and name Hn  ) 6.79 4.89 0.00
assign (resid 41 and name Hg2*) (resid 48 and name Hd1*) 6.59 4.69 0.00
assign (resid 41 and name Hg2*) (resid 48 and name Hd2*) 5.60 3.70 0.00
assign (resid 41 and name Hg2*) (resid 48 and name Hn  ) 7.28 5.38 0.00
assign (resid 41 and name Hg2*) (resid 48 and name Hb2 ) 5.84 3.94 0.00
assign (resid 41 and name Hg2*) (resid 48 and name Hb1 ) 5.28 3.38 0.00
assign (resid 41 and name Hg2*) (resid 48 and name Hg  ) 5.03 3.13 0.00
assign (resid 41 and name Hg2*) (resid 49 and name Ha  ) 5.55 3.65 0.00
assign (resid 41 and name Hn  ) (resid 41 and name Hb  ) 2.46 0.56 0.70
assign (resid 41 and name Hn  ) (resid 42 and name Hg1*) 5.55 3.65 0.00
assign (resid 41 and name Hn  ) (resid 42 and name Hn  ) 2.53 0.50 0.50
assign (resid 41 and name Hn  ) (resid 43 and name Hn  ) 4.57 2.67 0.00
assign (resid 41 and name Hn  ) (resid 48 and name Hd2*) 3.98 2.08 2.00
assign (resid 41 and name Ha  ) (resid 44 and name Hn  ) 3.68 1.78 1.00
assign (resid 41 and name Ha  ) (resid 44 and name Hb1 ) 4.57 2.67 0.00
assign (resid 41 and name Ha  ) (resid 48 and name Hd2*) 4.57 2.67 0.00
assign (resid 41 and name Ha  ) (resid 48 and name Hn  ) 3.69 1.79 1.00
assign (resid 41 and name Ha  ) (resid 48 and name Hb2 ) 4.05 2.15 0.00
assign (resid 41 and name Ha  ) (resid 48 and name Hb1 ) 3.17 1.27 0.00
assign (resid 41 and name Ha  ) (resid 48 and name Hg  ) 4.86 2.96 0.00
assign (resid 42 and name Hg1*) (resid 42 and name Hn  ) 3.98 2.08 0.00
assign (resid 42 and name Hg1*) (resid 43 and name Hn  ) 4.57 2.67 0.00
assign (resid 42 and name Hg2*) (resid 42 and name Hn  ) 4.16 2.26 0.00
assign (resid 42 and name Hg2*) (resid 43 and name Hn  ) 4.79 2.89 0.00
assign (resid 42 and name Hn  ) (resid 43 and name Hn  ) 2.62 0.50 0.50
assign (resid 42 and name Ha  ) (resid 44 and name Hn  ) 4.30 2.40 0.00
assign (resid 42 and name Ha  ) (resid 45 and name Hn  ) 3.71 1.81 1.00
assign (resid 42 and name Ha  ) (resid 46 and name Hn  ) 3.55 1.65 1.00
assign (resid 43 and name Hn  ) (resid 43 and name Hg* ) 2.80 0.90 1.58
assign (resid 43 and name Hn  ) (resid 44 and name Hn  ) 2.33 0.43 0.50
assign (resid 43 and name Hn  ) (resid 44 and name Ha  ) 4.11 2.21 1.50
assign (resid 43 and name Hn  ) (resid 45 and name Hn  ) 4.57 2.67 0.00
assign (resid 43 and name Ha  ) (resid 43 and name Hg* ) 4.05 2.15 0.88
assign (resid 43 and name Ha  ) (resid 45 and name Hn  ) 3.48 1.58 1.00
assign (resid 43 and name Hg* ) (resid 44 and name Hn  ) 4.75 2.85 2.38
assign (resid 44 and name Hn  ) (resid 44 and name Hb1 ) 3.81 1.91 0.00
assign (resid 44 and name Hn  ) (resid 44 and name Hb2 ) 4.05 2.15 0.00
assign (resid 44 and name Hn  ) (resid 45 and name Hn  ) 2.53 0.63 0.50
assign (resid 44 and name Hn  ) (resid 48 and name Hd2*) 5.07 3.17 2.50
assign (resid 44 and name Ha  ) (resid 44 and name Hb1 ) 3.17 1.27 0.00
assign (resid 44 and name Ha  ) (resid 44 and name Hb2 ) 3.17 1.27 0.00
assign (resid 44 and name Hb1 ) (resid 48 and name Hd2*) 5.84 3.94 0.00
assign (resid 44 and name Hb1 ) (resid 48 and name Hn  ) 3.68 1.78 1.00
assign (resid 44 and name Hb1 ) (resid 48 and name Hb2 ) 4.30 2.40 0.00
assign (resid 44 and name Hb1 ) (resid 48 and name Hb1 ) 4.30 2.40 0.00
assign (resid 44 and name Hb2 ) (resid 48 and name Hd2*) 6.14 4.24 0.00
assign (resid 44 and name Hb2 ) (resid 48 and name Hb2 ) 3.81 1.91 0.00
assign (resid 44 and name Hb2 ) (resid 48 and name Hb1 ) 4.30 2.40 0.00
assign (resid 45 and name Hn  ) (resid 45 and name Ha  ) 2.24 0.34 0.70
assign (resid 45 and name Hn  ) (resid 46 and name Hn  ) 2.83 0.93 0.50
assign (resid 45 and name Hn  ) (resid 47 and name Hn  ) 4.57 2.67 0.00
assign (resid 45 and name Ha  ) (resid 46 and name Hn  ) 2.63 0.73 0.70
assign (resid 45 and name Ha  ) (resid 47 and name Hn  ) 4.57 2.67 0.00
assign (resid 46 and name Hn  ) (resid 47 and name Hg2*) 5.68 3.78 2.50
assign (resid 46 and name Hn  ) (resid 47 and name Hn  ) 2.45 0.55 0.50
assign (resid 46 and name Hn  ) (resid 48 and name Hn  ) 3.53 1.63 1.00
assign (resid 47 and name Hg2*) (resid 47 and name Hn  ) 4.16 2.26 0.00
assign (resid 47 and name Hg2*) (resid 48 and name Hn  ) 4.79 2.89 0.00
assign (resid 47 and name Hn  ) (resid 48 and name Hn  ) 3.37 1.47 0.00
assign (resid 47 and name Hn  ) (resid 48 and name Hb1 ) 4.57 2.67 0.00
assign (resid 47 and name Ha  ) (resid 49 and name Hg2*) 5.28 3.38 0.00
assign (resid 48 and name Hd1*) (resid 48 and name Hn  ) 5.03 3.13 0.00
assign (resid 48 and name Hd1*) (resid 48 and name Ha  ) 4.16 2.26 0.00
assign (resid 48 and name Hd1*) (resid 49 and name Hn  ) 4.36 2.46 0.00
assign (resid 48 and name Hd2*) (resid 48 and name Hn  ) 6.79 4.89 0.00
assign (resid 48 and name Hd2*) (resid 49 and name Hn  ) 5.28 3.38 0.00
assign (resid 48 and name Hn  ) (resid 48 and name Hb2 ) 3.81 1.91 0.00
assign (resid 48 and name Hn  ) (resid 48 and name Hb1 ) 2.64 0.74 0.70
assign (resid 48 and name Hn  ) (resid 48 and name Hg  ) 4.05 2.15 0.00
assign (resid 48 and name Ha  ) (resid 48 and name Hg  ) 3.81 1.91 0.00
assign (resid 48 and name Ha  ) (resid 49 and name Hn  ) 3.37 1.47 0.00
assign (resid 48 and name Hb2 ) (resid 49 and name Hn  ) 4.30 2.40 0.00
assign (resid 48 and name Hg  ) (resid 49 and name Hn  ) 3.58 1.68 0.00
assign (resid 49 and name Hg2*) (resid 49 and name Ha  ) 3.98 2.08 0.00
assign (resid 49 and name Hg2*) (resid 50 and name Hn  ) 4.43 2.53 2.50
assign (resid 49 and name Hn  ) (resid 49 and name Hb  ) 3.81 1.91 0.00
assign (resid 49 and name Ha  ) (resid 49 and name Hb  ) 2.81 0.91 0.00
assign (resid 49 and name Ha  ) (resid 50 and name Hn  ) 2.35 0.45 0.70
assign (resid 49 and name Hb  ) (resid 50 and name Hn  ) 2.29 0.39 0.70
assign (resid 50 and name Hd1*) (resid 50 and name Hn  ) 5.03 3.13 0.00
assign (resid 50 and name Hd1*) (resid 50 and name Ha  ) 4.36 2.46 0.00
assign (resid 50 and name Hd1*) (resid 51 and name Hn  ) 3.87 1.97 2.00
assign (resid 50 and name Hd1*) (resid 52 and name Hn  ) 4.10 2.20 2.50
assign (resid 50 and name Hd1*) (resid 52 and name Ha  ) 5.84 3.94 0.00
assign (resid 50 and name Hd1*) (resid 53 and name Ha  ) 5.55 3.65 0.00
assign (resid 50 and name Hd1*) (resid 53 and name Hd2 ) 5.84 3.94 0.00
assign (resid 50 and name Hd1*) (resid 53 and name He2 ) 6.14 4.24 0.00
assign (resid 50 and name Hd2*) (resid 50 and name Hn  ) 4.79 2.89 0.00
assign (resid 50 and name Hd2*) (resid 51 and name Hn  ) 5.55 3.65 0.00
assign (resid 50 and name Hd2*) (resid 52 and name Ha  ) 5.55 3.65 0.00
assign (resid 50 and name Hd2*) (resid 53 and name Hn  ) 5.28 3.38 0.00
assign (resid 50 and name Hd2*) (resid 53 and name Hd2 ) 5.28 3.38 0.00
assign (resid 50 and name Hd2*) (resid 53 and name He2 ) 5.03 3.13 0.00
assign (resid 50 and name Hn  ) (resid 50 and name Hb2 ) 2.88 0.98 0.70
assign (resid 50 and name Hn  ) (resid 51 and name Hn  ) 4.57 2.67 0.00
assign (resid 50 and name Ha  ) (resid 50 and name Hg  ) 4.05 2.15 0.00
assign (resid 50 and name Ha  ) (resid 51 and name Hn  ) 2.20 0.30 0.70
assign (resid 50 and name Hg  ) (resid 51 and name Hn  ) 3.35 1.45 1.00
assign (resid 50 and name Hg  ) (resid 52 and name Hn  ) 3.09 1.19 1.00
assign (resid 50 and name Hg  ) (resid 52 and name Ha  ) 4.30 2.40 0.00
assign (resid 50 and name Hg  ) (resid 53 and name Hn  ) 4.86 2.96 0.00
assign (resid 51 and name Hn  ) (resid 52 and name Hn  ) 2.31 0.41 0.50
assign (resid 52 and name Ha  ) (resid 52 and name Hb1 ) 3.17 1.27 0.00
assign (resid 52 and name Ha  ) (resid 52 and name Hb2 ) 3.17 1.27 0.00
assign (resid 52 and name Ha  ) (resid 52 and name Hd2 ) 4.30 2.40 0.00
assign (resid 52 and name Ha  ) (resid 53 and name Hn  ) 2.38 0.48 0.70
assign (resid 52 and name Hb1 ) (resid 52 and name Hd2 ) 3.58 1.68 0.00
assign (resid 52 and name Hb1 ) (resid 53 and name Hn  ) 5.81 3.91 0.00
assign (resid 52 and name Hb2 ) (resid 52 and name Hd2 ) 4.05 2.15 0.00
assign (resid 52 and name Hb2 ) (resid 53 and name Hn  ) 3.58 1.68 0.00
assign (resid 52 and name He1 ) (resid 55 and name Hn  ) 4.57 2.67 0.00
assign (resid 52 and name He1 ) (resid 55 and name Ha  ) 4.86 2.96 0.00
assign (resid 52 and name He1 ) (resid 56 and name Hn  ) 4.57 2.67 0.00
assign (resid 52 and name He1 ) (resid 56 and name Ha  ) 3.17 1.27 0.00
assign (resid 53 and name Hn  ) (resid 53 and name Hb2 ) 2.52 0.62 0.70
assign (resid 53 and name Hn  ) (resid 53 and name Hb1 ) 3.58 1.68 0.00
assign (resid 53 and name Hn  ) (resid 53 and name Hd2 ) 2.94 1.04 0.50
assign (resid 53 and name Hn  ) (resid 53 and name He2 ) 4.30 2.40 0.00
assign (resid 53 and name Hn  ) (resid 54 and name Hn  ) 6.57 4.67 0.00
assign (resid 53 and name Ha  ) (resid 53 and name Hd1 ) 4.05 2.15 0.00
assign (resid 53 and name Ha  ) (resid 54 and name Hn  ) 2.11 0.21 0.70
assign (resid 53 and name Hb2 ) (resid 53 and name Hd2 ) 3.81 1.91 0.00
assign (resid 53 and name Hb2 ) (resid 54 and name Hn  ) 4.15 2.25 1.50
assign (resid 53 and name Hb1 ) (resid 54 and name Hn  ) 2.86 0.96 0.70
assign (resid 53 and name Hd1 ) (resid 54 and name Hn  ) 6.05 4.15 0.00
assign (resid 54 and name Hn  ) (resid 55 and name Hn  ) 3.08 1.18 1.00
assign (resid 55 and name Ha  ) (resid 56 and name Hn  ) 2.27 0.37 0.70
assign (resid 56 and name Hn  ) (resid 56 and name Hb2 ) 3.81 1.91 0.00
!Hydrogen-bond constraints
assign (resid 9 and name HN) (resid 7 and name OD*) 2.0 2.0 1.38 
assign (resid 9 and name N) (resid 7 and name OD*) 3.0 0.5 1.38  
assign (resid 10 and name HN) (resid 10 and name OE*) 2.0 2.0 1.38
assign (resid 10 and name N) (resid 10 and name OE*) 3.0 0.5 1.38
assign (resid 19 and name HN) (resid 19 and name OE*) 2.0 2.0 1.38
assign (resid 19 and name N) (resid 19 and name OE*) 3.0 0.5 1.38
assign (resid 23 and name HN) (resid 31 and name O) 2.0 2.0 0.3
assign (resid 23 and name N) (resid 31 and name O) 3.0 0.5 0.3
assign (resid 24 and name HN) (resid 52 and name O) 2.0 2.0 0.3
assign (resid 24 and name N) (resid 52 and name O) 3.0 0.5 0.3
assign (resid 25 and name HN) (resid 29 and name O) 2.0 2.0 0.3
assign (resid 25 and name N) (resid 29 and name O) 3.0 0.5 0.3
assign (resid 26 and name HN) (resid 49 and name O) 2.0 2.0 0.3
assign (resid 26 and name N) (resid 49 and name O) 3.0 0.5 0.3
assign (resid 27 and name HN) (resid 27 and name OD*) 2.0 2.0 1.38
assign (resid 27 and name N) (resid 27 and name OD*) 3.0 0.5 1.38
assign (resid 29 and name HN) (resid 27 and name OD*) 2.0 2.0 1.38
assign (resid 29 and name N) (resid 27 and name OD*) 3.0 0.5 1.38
assign (resid 31 and name HN) (resid 23 and name O) 2.0 2.0 0.3
assign (resid 31 and name N) (resid 23 and name O) 3.0 0.5 0.3
assign (resid 37 and name HN) (resid 33 and name O) 2.0 2.0 0.3
assign (resid 37 and name N) (resid 33 and name O) 3.0 0.5 0.3
assign (resid 38 and name HN) (resid 34 and name O) 2.0 2.0 0.3
assign (resid 38 and name N) (resid 34 and name O) 3.0 0.5 0.3
assign (resid 39 and name HN) (resid 35 and name O) 2.0 2.0 0.3
assign (resid 39 and name N) (resid 35 and name O) 3.0 0.5 0.3
assign (resid 41 and name HN) (resid 37 and name O) 2.0 2.0 0.3
assign (resid 41 and name N) (resid 37 and name O) 3.0 0.5 0.3
assign (resid 42 and name HN) (resid 38 and name O) 2.0 2.0 0.3
assign (resid 42 and name N) (resid 38 and name O) 3.0 0.5 0.3
assign (resid 43 and name HN) (resid 39 and name O) 2.0 2.0 0.3
assign (resid 43 and name N) (resid 39 and name O) 3.0 0.5 0.3
assign (resid 48 and name HN) (resid 44 and name OG) 2.0 2.0 1.38
assign (resid 48 and name N) (resid 44 and name OG) 3.0 0.5 1.38
!Backbone dihedral constraints
restraints dihedral
	nassign=300
	assign (resid 3 and name C)
	       (resid 4 and name N)
		(resid 4 and name CA)
		(resid 4 and name C) 1.0 -120 40 2
	assign (resid 5 and name C)
 		(resid 6 and name N)
		(resid 6 and name CA)
		(resid 6 and name C) 1.0 -120 40 2
	assign	(resid 7 and name C)
		(resid 8 and name N)
		(resid 8 and name CA)
		(resid 8 and name C) 1.0 -120 40 2
	assign  (resid 8 and name C)
		(resid 9 and name N)
		(resid 9 and name CA)
		(resid 9 and name C) 1.0 -65 25 2
	assign	(resid 10 and name C)
		(resid 11 and name N)
		(resid 11 and name CA)
		(resid 11 and name C) 1.0 -120 40 2
	assign	(resid 12 and name C)
		(resid 13 and name N)
		(resid 13 and name CA)
		(resid 13 and name C) 1.0 -120 40 2
	assign  (resid 15 and name C)
		(resid 16 and name N)
		(resid 16 and name CA)
		(resid 16 and name C) 1.0 -120 40 2
	assign  (resid 18 and name C)
		(resid 19 and name N)
		(resid 19 and name CA)
		(resid 19 and name C) 1.0 -65 25 2
	assign	(resid 19 and name C)
		(resid 20 and name N)
		(resid 20 and name CA)
		(resid 20 and name C) 1.0 -120 40 2
	assign  (resid 20 and name C)
		(resid 21 and name N)
		(resid 21 and name CA)
		(resid 21 and name C) 1.0 -120 40 2
	assign  (resid 22 and name C)
		(resid 23 and name N)
		(resid 23 and name CA)
		(resid 23 and name C) 1.0 -120 20 2
	assign  (resid 23 and name C)
		(resid 24 and name N)
		(resid 24 and name CA)
		(resid 24 and name C) 1.0 -120 40 2
	assign  (resid 25 and name C)
		(resid 26 and name N)
		(resid 26 and name CA)
		(resid 26 and name C) 1.0 -65 25 2
	assign  (resid 28 and name C)
		(resid 29 and name N)
		(resid 29 and name CA)
		(resid 29 and name C) 1.0 -120 20 2
	assign  (resid 30 and name C)
		(resid 31 and name N)
		(resid 31 and name CA)
		(resid 31 and name C) 1.0 -120 20 2
	assign  (resid 33 and name C)
		(resid 34 and name N)
		(resid 34 and name CA)
		(resid 34 and name C) 1.0 -65 25 2
	assign  (resid 34 and name C)
		(resid 35 and name N)
		(resid 35 and name CA)
		(resid 35 and name C) 1.0 -65 25 2
	assign  (resid 35 and name C)
		(resid 36 and name N)
		(resid 36 and name CA)
		(resid 36 and name C) 1.0 -65 25 2
	assign  (resid 36 and name C)
		(resid 37 and name N)
		(resid 37 and name CA)
		(resid 37 and name C) 1.0 -65 25 2
	assign  (resid 37 and name C)
		(resid 38 and name N)
		(resid 38 and name CA)
		(resid 38 and name C) 1.0 -65 25 2
	assign  (resid 39 and name C)
		(resid 40 and name N)
		(resid 40 and name CA)
		(resid 40 and name C) 1.0 -65 25 2
	assign  (resid 40 and name C)
		(resid 41 and name N)
		(resid 41 and name CA)
		(resid 41 and name C) 1.0 -65 25 2 
	assign  (resid 41 and name C)
		(resid 42 and name N)
		(resid 42 and name CA)
		(resid 42 and name C) 1.0 -65 25 2
	assign  (resid 42 and name C) 
		(resid 43 and name N)
		(resid 43 and name CA) 
		(resid 43 and name C) 1.0 -65 25 2
	assign  (resid 46 and name C)
		(resid 47 and name N)
		(resid 47 and name CA)
		(resid 47 and name C) 1.0 -120 40 2
	assign  (resid 47 and name C)
		(resid 48 and name N)
		(resid 48 and name CA)
		(resid 48 and name C) 1.0 -120 40 2
	assign  (resid 50 and name C)
		(resid 51 and name N)
		(resid 51 and name CA)
		(resid 51 and name C) 1.0 -120 40 2
	assign  (resid 54 and name C)
		(resid 55 and name N)
		(resid 55 and name CA)
		(resid 55 and name C) 1.0 -65 25 2
	assign (resid 55 and name C)
		(resid 56 and name N)
		(resid 56 and name CA)
		(resid 56 and name C) 1.0 -65 25 2
	scale = 1.0
end

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  401 H/Q atoms
  Start of MODEL    1
    1   1H    LEU   1           HT2      LEU   1   2.849  14.232   7.952
    2   2H    LEU   1           HT1      LEU   1   1.731  14.705   9.140
    3   3H    LEU   1           HT3      LEU   1   1.267  13.614   7.927
    4    HA   LEU   1           HA       LEU   1   0.483  15.341   6.800
    5   1HB   LEU   1           HB2      LEU   1   2.113  16.988   8.754
    6   2HB   LEU   1           HB1      LEU   1   1.090  17.697   7.503
    7    HG   LEU   1           HG       LEU   1  -0.608  15.867   8.660
    8   1HD1  LEU   1          HD13      LEU   1   1.542  16.334  10.508
    9   2HD1  LEU   1          HD12      LEU   1   0.069  17.061  11.151
   10   3HD1  LEU   1          HD11      LEU   1   0.097  15.348  10.733
   11   1HD2  LEU   1          HD21      LEU   1  -0.140  18.798   8.823
   12   2HD2  LEU   1          HD23      LEU   1  -1.587  17.915   8.333
   13   3HD2  LEU   1          HD22      LEU   1  -1.214  18.117  10.045
   14    H    ALA   2           HN       ALA   2   1.665  14.551   4.959
   15    HA   ALA   2           HA       ALA   2   3.465  16.467   3.796
   16   1HB   ALA   2           HB2      ALA   2   4.790  14.873   5.565
   17   2HB   ALA   2           HB1      ALA   2   4.943  13.917   4.091
   18   3HB   ALA   2           HB3      ALA   2   5.540  15.576   4.132
   19    H    ALA   3           HN       ALA   3   4.807  14.775   1.987
   20    HA   ALA   3           HA       ALA   3   2.493  13.498   0.585
   21   1HB   ALA   3           HB2      ALA   3   4.957  14.842  -0.564
   22   2HB   ALA   3           HB1      ALA   3   3.727  14.014  -1.519
   23   3HB   ALA   3           HB3      ALA   3   3.309  15.469  -0.614
   24    H    VAL   4           HN       VAL   4   4.030  12.050   2.467
   25    HA   VAL   4           HA       VAL   4   6.033  10.507   0.965
   26    HB   VAL   4           HB       VAL   4   4.953   9.607   3.610
   27   1HG1  VAL   4          HG11      VAL   4   7.271   9.188   1.938
   28   2HG1  VAL   4          HG13      VAL   4   7.771   9.776   3.525
   29   3HG1  VAL   4          HG12      VAL   4   6.785   8.318   3.394
   30   1HG2  VAL   4          HG21      VAL   4   6.330  12.200   3.040
   31   2HG2  VAL   4          HG23      VAL   4   5.154  11.809   4.296
   32   3HG2  VAL   4          HG22      VAL   4   6.834  11.304   4.472
   33    H    SER   5           HN       SER   5   5.029   9.310  -0.638
   34    HA   SER   5           HA       SER   5   2.954   7.373   0.297
   35   1HB   SER   5           HB2      SER   5   1.609   8.733  -1.010
   36   2HB   SER   5           HB1      SER   5   2.933   9.203  -2.070
   37    HG   SER   5           HG       SER   5   2.483   7.563  -3.300
   38    H    VAL   6           HN       VAL   6   2.984   5.323  -0.814
   39    HA   VAL   6           HA       VAL   6   5.673   4.583  -1.753
   40    HB   VAL   6           HB       VAL   6   3.159   2.944  -1.317
   41   1HG1  VAL   6          HG12      VAL   6   5.962   2.195  -2.161
   42   2HG1  VAL   6          HG11      VAL   6   4.878   1.034  -1.396
   43   3HG1  VAL   6          HG13      VAL   6   4.439   1.766  -2.940
   44   1HG2  VAL   6          HG22      VAL   6   4.267   3.942   0.714
   45   2HG2  VAL   6          HG21      VAL   6   4.275   2.178   0.700
   46   3HG2  VAL   6          HG23      VAL   6   5.736   3.070   0.278
   47    H    ASP   7           HN       ASP   7   5.809   3.165  -3.771
   48    HA   ASP   7           HA       ASP   7   4.024   4.311  -5.877
   49   1HB   ASP   7           HB2      ASP   7   6.491   4.807  -6.042
   50   2HB   ASP   7           HB1      ASP   7   6.768   3.076  -6.243
   51    H    CYS   8           HN       CYS   8   2.893   2.903  -7.193
   52    HA   CYS   8           HA       CYS   8   3.468  -0.010  -6.915
   53   1HB   CYS   8           HB2      CYS   8   0.648   1.066  -6.989
   54   2HB   CYS   8           HB1      CYS   8   1.189  -0.548  -6.534
   55    H    SER   9           HN       SER   9   4.371   1.423  -9.067
   56    HA   SER   9           HA       SER   9   2.384   1.381 -11.217
   57   1HB   SER   9           HB2      SER   9   3.956   3.073 -11.562
   58   2HB   SER   9           HB1      SER   9   5.297   2.073 -11.012
   59    HG   SER   9           HG       SER   9   3.788   1.643 -13.383
   60    H    GLU  10           HN       GLU  10   3.707  -1.066  -9.668
   61    HA   GLU  10           HA       GLU  10   3.988  -2.726 -12.140
   62   1HB   GLU  10           HB2      GLU  10   5.441  -3.243  -9.533
   63   2HB   GLU  10           HB1      GLU  10   5.714  -4.023 -11.092
   64   1HG   GLU  10           HG2      GLU  10   7.380  -2.481 -11.293
   65   2HG   GLU  10           HG1      GLU  10   6.063  -1.405 -11.768
   66    H    TYR  11           HN       TYR  11   1.779  -2.050 -10.152
   67    HA   TYR  11           HA       TYR  11   1.192  -4.769  -9.125
   68   1HB   TYR  11           HB2      TYR  11   0.362  -1.974  -8.374
   69   2HB   TYR  11           HB1      TYR  11  -0.643  -3.332  -7.882
   70    HD1  TYR  11           HD1      TYR  11   0.267  -5.087  -6.362
   71    HD2  TYR  11           HD2      TYR  11   2.575  -1.641  -7.482
   72    HE1  TYR  11           HE1      TYR  11   1.893  -5.580  -4.547
   73    HE2  TYR  11           HE2      TYR  11   4.189  -2.131  -5.667
   74    HH   TYR  11           HH       TYR  11   3.620  -4.756  -3.362
   75    HA   PRO  12           HA       PRO  12  -0.764  -5.095  -8.071
   76   1HB   PRO  12           HB2      PRO  12  -2.794  -6.954  -8.238
   77   2HB   PRO  12           HB1      PRO  12  -3.062  -5.243  -7.887
   78   1HG   PRO  12           HG2      PRO  12  -3.753  -6.735 -10.320
   79   2HG   PRO  12           HG1      PRO  12  -4.249  -5.102  -9.848
   80   1HD   PRO  12           HD2      PRO  12  -2.131  -5.900 -11.667
   81   2HD   PRO  12           HD1      PRO  12  -2.760  -4.285 -11.452
   82    H    LYS  13           HN       LYS  13  -0.136  -7.183  -7.136
   83    HA   LYS  13           HA       LYS  13   0.947  -9.082  -9.181
   84   1HB   LYS  13           HB2      LYS  13   2.184  -9.152  -6.510
   85   2HB   LYS  13           HB1      LYS  13   2.939  -9.127  -8.102
   86   1HG   LYS  13           HG2      LYS  13   2.479  -6.693  -8.264
   87   2HG   LYS  13           HG1      LYS  13   1.797  -6.732  -6.637
   88   1HD   LYS  13           HD2      LYS  13   3.942  -6.185  -6.046
   89   2HD   LYS  13           HD1      LYS  13   4.172  -7.931  -6.157
   90   1HE   LYS  13           HE2      LYS  13   5.179  -7.791  -8.277
   91   2HE   LYS  13           HE1      LYS  13   4.508  -6.192  -8.592
   92   1HZ   LYS  13           HZ2      LYS  13   6.579  -6.832  -6.561
   93   2HZ   LYS  13           HZ1      LYS  13   6.858  -6.072  -8.055
   94   3HZ   LYS  13           HZ3      LYS  13   5.935  -5.290  -6.866
   95    HA   PRO  14           HA       PRO  14  -1.558 -12.117  -7.188
   96   1HB   PRO  14           HB2      PRO  14  -0.316 -14.347  -8.205
   97   2HB   PRO  14           HB1      PRO  14  -1.407 -13.317  -9.147
   98   1HG   PRO  14           HG2      PRO  14   1.567 -13.502  -9.263
   99   2HG   PRO  14           HG1      PRO  14   0.423 -13.033 -10.529
  100   1HD   PRO  14           HD2      PRO  14   2.009 -11.269  -9.029
  101   2HD   PRO  14           HD1      PRO  14   0.620 -10.814  -9.992
  102    H    ALA  15           HN       ALA  15   1.283 -11.243  -6.042
  103    HA   ALA  15           HA       ALA  15   1.264 -13.294  -3.910
  104   1HB   ALA  15           HB2      ALA  15   3.477 -12.856  -5.863
  105   2HB   ALA  15           HB1      ALA  15   3.929 -13.110  -4.177
  106   3HB   ALA  15           HB3      ALA  15   2.988 -14.333  -5.032
  107    H    CYS  16           HN       CYS  16   1.379 -12.230  -1.977
  108    HA   CYS  16           HA       CYS  16   2.268  -9.401  -2.019
  109   1HB   CYS  16           HB2      CYS  16   0.192 -10.778  -0.667
  110   2HB   CYS  16           HB1      CYS  16   1.344 -10.250   0.563
  111    H    THR  17           HN       THR  17   3.420 -12.464  -1.172
  112    HA   THR  17           HA       THR  17   5.575 -12.999  -0.411
  113    HB   THR  17           HB       THR  17   5.810 -10.286  -0.815
  114    HG1  THR  17           HG1      THR  17   7.936 -11.690   0.311
  115   1HG2  THR  17          HG22      THR  17   6.558 -10.935   2.037
  116   2HG2  THR  17          HG21      THR  17   7.142  -9.522   1.158
  117   3HG2  THR  17          HG23      THR  17   5.420  -9.706   1.483
  118    H    LEU  18           HN       LEU  18   3.755 -10.883   1.655
  119    HA   LEU  18           HA       LEU  18   2.541 -11.680   3.603
  120   1HB   LEU  18           HB2      LEU  18   4.815 -13.636   3.957
  121   2HB   LEU  18           HB1      LEU  18   3.379 -13.517   4.962
  122    HG   LEU  18           HG       LEU  18   3.005 -13.834   2.010
  123   1HD1  LEU  18          HD11      LEU  18   4.698 -15.542   2.633
  124   2HD1  LEU  18          HD13      LEU  18   3.627 -16.116   3.910
  125   3HD1  LEU  18          HD12      LEU  18   3.148 -16.276   2.220
  126   1HD2  LEU  18          HD23      LEU  18   1.281 -13.574   4.067
  127   2HD2  LEU  18          HD22      LEU  18   0.900 -14.520   2.628
  128   3HD2  LEU  18          HD21      LEU  18   1.478 -15.327   4.085
  129    H    GLU  19           HN       GLU  19   5.347  -9.991   3.289
  130    HA   GLU  19           HA       GLU  19   6.370  -9.908   5.950
  131   1HB   GLU  19           HB2      GLU  19   6.215  -7.662   3.912
  132   2HB   GLU  19           HB1      GLU  19   7.187  -7.627   5.379
  133   1HG   GLU  19           HG2      GLU  19   7.619  -9.152   2.860
  134   2HG   GLU  19           HG1      GLU  19   8.796  -8.377   3.906
  135    H    TYR  20           HN       TYR  20   5.987  -7.142   6.715
  136    HA   TYR  20           HA       TYR  20   3.060  -6.875   6.975
  137   1HB   TYR  20           HB2      TYR  20   3.892  -8.342   8.873
  138   2HB   TYR  20           HB1      TYR  20   4.783  -6.936   9.459
  139    HD1  TYR  20           HD2      TYR  20   1.413  -7.090   7.830
  140    HD2  TYR  20           HD1      TYR  20   3.639  -6.273  11.416
  141    HE1  TYR  20           HE2      TYR  20  -0.641  -6.215   8.903
  142    HE2  TYR  20           HE1      TYR  20   1.580  -5.403  12.490
  143    HH   TYR  20           HH       TYR  20  -1.561  -5.713  10.977
  144    H    ARG  21           HN       ARG  21   3.500  -4.962   5.715
  145    HA   ARG  21           HA       ARG  21   4.655  -2.732   7.339
  146   1HB   ARG  21           HB2      ARG  21   4.418  -2.586   4.344
  147   2HB   ARG  21           HB1      ARG  21   5.543  -1.746   5.412
  148   1HG   ARG  21           HG2      ARG  21   6.029  -4.508   5.776
  149   2HG   ARG  21           HG1      ARG  21   5.900  -4.256   4.036
  150   1HD   ARG  21           HD2      ARG  21   7.521  -2.331   5.668
  151   2HD   ARG  21           HD1      ARG  21   8.214  -3.898   5.252
  152    HE   ARG  21           HE       ARG  21   7.097  -2.199   3.078
  153   1HH1  ARG  21          HH11      ARG  21   8.328  -3.937   1.559
  154   2HH1  ARG  21          HH12      ARG  21  10.038  -3.666   1.614
  155   1HH2  ARG  21          HH21      ARG  21   9.908  -1.757   4.506
  156   2HH2  ARG  21          HH22      ARG  21  10.931  -2.428   3.282
  157    HA   PRO  22           HA       PRO  22   0.154  -2.198   6.887
  158   1HB   PRO  22           HB2      PRO  22  -0.086  -0.800   9.265
  159   2HB   PRO  22           HB1      PRO  22  -0.183  -2.575   9.117
  160   1HG   PRO  22           HG2      PRO  22   2.096  -0.878  10.078
  161   2HG   PRO  22           HG1      PRO  22   1.621  -2.512  10.578
  162   1HD   PRO  22           HD2      PRO  22   3.731  -1.969   8.850
  163   2HD   PRO  22           HD1      PRO  22   2.863  -3.519   8.906
  164    H    LEU  23           HN       LEU  23   0.248  -0.715   5.120
  165    HA   LEU  23           HA       LEU  23   1.051   2.070   5.803
  166   1HB   LEU  23           HB2      LEU  23   0.150   1.080   3.094
  167   2HB   LEU  23           HB1      LEU  23   1.188   2.458   3.468
  168    HG   LEU  23           HG       LEU  23   2.174  -0.171   4.417
  169   1HD1  LEU  23          HD11      LEU  23   1.451   0.339   1.610
  170   2HD1  LEU  23          HD13      LEU  23   3.119  -0.182   1.848
  171   3HD1  LEU  23          HD12      LEU  23   1.790  -1.185   2.429
  172   1HD2  LEU  23          HD23      LEU  23   3.158   2.455   3.563
  173   2HD2  LEU  23          HD22      LEU  23   3.884   1.289   4.669
  174   3HD2  LEU  23          HD21      LEU  23   4.117   1.116   2.930
  175    H    CYS  24           HN       CYS  24  -0.534   3.452   6.369
  176    HA   CYS  24           HA       CYS  24  -3.332   2.592   6.029
  177   1HB   CYS  24           HB2      CYS  24  -1.957   4.764   7.596
  178   2HB   CYS  24           HB1      CYS  24  -3.706   4.748   7.415
  179    H    GLY  25           HN       GLY  25  -4.386   3.126   4.236
  180   1HA   GLY  25           HA2      GLY  25  -3.588   4.806   2.194
  181   2HA   GLY  25           HA1      GLY  25  -5.218   4.483   2.541
  182    H    SER  26           HN       SER  26  -5.058   6.975   1.656
  183    HA   SER  26           HA       SER  26  -4.553   8.794   3.942
  184   1HB   SER  26           HB2      SER  26  -5.983  10.238   2.053
  185   2HB   SER  26           HB1      SER  26  -4.228  10.150   2.151
  186    HG   SER  26           HG       SER  26  -5.627   9.430   0.156
  187    H    ASP  27           HN       ASP  27  -6.926   6.621   3.248
  188    HA   ASP  27           HA       ASP  27  -9.120   8.334   4.316
  189   1HB   ASP  27           HB2      ASP  27 -10.643   6.600   3.471
  190   2HB   ASP  27           HB1      ASP  27  -9.586   7.168   2.177
  191    H    ASN  28           HN       ASN  28  -6.800   6.237   5.379
  192    HA   ASN  28           HA       ASN  28  -6.545   5.431   7.592
  193   1HB   ASN  28           HB2      ASN  28  -8.577   6.924   8.143
  194   2HB   ASN  28           HB1      ASN  28  -9.539   5.461   7.930
  195   1HD2  ASN  28          HD22      ASN  28  -8.614   4.108  11.046
  196   2HD2  ASN  28          HD21      ASN  28  -9.573   3.970   9.653
  197    H    LYS  29           HN       LYS  29  -6.722   3.819   5.257
  198    HA   LYS  29           HA       LYS  29  -8.142   1.403   6.316
  199   1HB   LYS  29           HB2      LYS  29  -8.418   2.527   3.829
  200   2HB   LYS  29           HB1      LYS  29  -7.157   1.328   3.531
  201   1HG   LYS  29           HG2      LYS  29  -8.973  -0.050   3.258
  202   2HG   LYS  29           HG1      LYS  29  -8.835  -0.173   5.012
  203   1HD   LYS  29           HD2      LYS  29 -10.938   0.622   5.152
  204   2HD   LYS  29           HD1      LYS  29 -10.321   2.167   4.564
  205   1HE   LYS  29           HE2      LYS  29 -10.545   0.558   2.274
  206   2HE   LYS  29           HE1      LYS  29 -12.006   0.232   3.205
  207   1HZ   LYS  29           HZ3      LYS  29 -11.847   2.874   3.442
  208   2HZ   LYS  29           HZ2      LYS  29 -11.140   2.678   1.910
  209   3HZ   LYS  29           HZ1      LYS  29 -12.709   2.099   2.205
  210    H    THR  30           HN       THR  30  -6.689   0.112   7.359
  211    HA   THR  30           HA       THR  30  -3.836   0.322   6.833
  212    HB   THR  30           HB       THR  30  -5.177  -1.835   8.467
  213    HG1  THR  30           HG1      THR  30  -4.603  -0.092  10.141
  214   1HG2  THR  30          HG22      THR  30  -2.452  -0.768   8.079
  215   2HG2  THR  30          HG21      THR  30  -2.913  -1.015   9.762
  216   3HG2  THR  30          HG23      THR  30  -2.970  -2.363   8.626
  217    H    TYR  31           HN       TYR  31  -2.655  -0.838   5.440
  218    HA   TYR  31           HA       TYR  31  -3.827  -3.348   4.300
  219   1HB   TYR  31           HB2      TYR  31  -2.175  -1.150   3.069
  220   2HB   TYR  31           HB1      TYR  31  -2.091  -2.786   2.409
  221    HD1  TYR  31           HD1      TYR  31  -4.301   0.113   3.038
  222    HD2  TYR  31           HD2      TYR  31  -3.992  -3.802   1.298
  223    HE1  TYR  31           HE1      TYR  31  -6.454   0.465   1.858
  224    HE2  TYR  31           HE2      TYR  31  -6.142  -3.450   0.120
  225    HH   TYR  31           HH       TYR  31  -8.076  -0.521   0.658
  226    H    GLY  32           HN       GLY  32  -2.727  -5.136   4.946
  227   1HA   GLY  32           HA2      GLY  32  -0.803  -5.327   6.802
  228   2HA   GLY  32           HA1      GLY  32  -0.855  -6.492   5.510
  229    H    ASN  33           HN       ASN  33   0.181  -5.259   3.340
  230    HA   ASN  33           HA       ASN  33   2.598  -3.821   4.286
  231   1HB   ASN  33           HB2      ASN  33   4.073  -5.265   2.890
  232   2HB   ASN  33           HB1      ASN  33   3.349  -6.094   4.242
  233   1HD2  ASN  33          HD22      ASN  33   2.879  -8.365   1.426
  234   2HD2  ASN  33          HD21      ASN  33   4.142  -7.816   2.408
  235    H    LYS  34           HN       LYS  34   4.019  -3.680   2.020
  236    HA   LYS  34           HA       LYS  34   2.890  -1.559   0.608
  237   1HB   LYS  34           HB2      LYS  34   4.804  -1.790  -0.795
  238   2HB   LYS  34           HB1      LYS  34   5.312  -2.311   0.800
  239   1HG   LYS  34           HG2      LYS  34   4.789  -4.688   0.113
  240   2HG   LYS  34           HG1      LYS  34   4.511  -4.083  -1.524
  241   1HD   LYS  34           HD2      LYS  34   7.054  -3.202  -0.302
  242   2HD   LYS  34           HD1      LYS  34   6.941  -4.933  -0.628
  243   1HE   LYS  34           HE2      LYS  34   7.672  -4.242  -2.698
  244   2HE   LYS  34           HE1      LYS  34   5.936  -4.032  -2.944
  245   1HZ   LYS  34           HZ3      LYS  34   7.173  -1.773  -1.684
  246   2HZ   LYS  34           HZ2      LYS  34   7.829  -2.100  -3.217
  247   3HZ   LYS  34           HZ1      LYS  34   6.159  -1.833  -3.042
  248    H    CYS  35           HN       CYS  35   2.991  -5.016  -0.375
  249    HA   CYS  35           HA       CYS  35   1.806  -4.473  -2.920
  250   1HB   CYS  35           HB2      CYS  35   1.320  -6.963  -2.860
  251   2HB   CYS  35           HB1      CYS  35   3.011  -6.515  -2.687
  252    H    ASN  36           HN       ASN  36   0.404  -5.655   0.173
  253    HA   ASN  36           HA       ASN  36  -2.270  -5.878  -0.756
  254   1HB   ASN  36           HB2      ASN  36  -0.993  -5.429   1.901
  255   2HB   ASN  36           HB1      ASN  36  -2.717  -5.085   1.766
  256   1HD2  ASN  36          HD22      ASN  36  -1.406  -8.924   1.729
  257   2HD2  ASN  36          HD21      ASN  36  -0.332  -7.617   1.837
  258    H    PHE  37           HN       PHE  37  -0.425  -3.083   0.366
  259    HA   PHE  37           HA       PHE  37  -2.654  -1.202   0.278
  260   1HB   PHE  37           HB2      PHE  37  -0.540  -1.018   1.610
  261   2HB   PHE  37           HB1      PHE  37   0.316  -0.571   0.251
  262    HD1  PHE  37           HD1      PHE  37  -2.645   0.536   2.229
  263    HD2  PHE  37           HD2      PHE  37   0.347   1.440  -0.686
  264    HE1  PHE  37           HE1      PHE  37  -3.377   2.903   2.226
  265    HE2  PHE  37           HE2      PHE  37  -0.367   3.803  -0.721
  266    HZ   PHE  37           HZ       PHE  37  -2.228   4.562   0.748
  267    H    CYS  38           HN       CYS  38  -0.249  -2.354  -1.779
  268    HA   CYS  38           HA       CYS  38  -0.526  -0.220  -3.775
  269   1HB   CYS  38           HB2      CYS  38   1.053  -2.763  -3.593
  270   2HB   CYS  38           HB1      CYS  38   0.803  -2.040  -5.181
  271    H    ASN  39           HN       ASN  39  -2.034  -3.288  -3.153
  272    HA   ASN  39           HA       ASN  39  -3.085  -3.675  -5.834
  273   1HB   ASN  39           HB2      ASN  39  -3.759  -4.856  -3.128
  274   2HB   ASN  39           HB1      ASN  39  -4.682  -5.252  -4.578
  275   1HD2  ASN  39          HD22      ASN  39  -1.831  -7.701  -4.174
  276   2HD2  ASN  39          HD21      ASN  39  -3.090  -7.212  -3.147
  277    H    ALA  40           HN       ALA  40  -3.921  -1.870  -3.002
  278    HA   ALA  40           HA       ALA  40  -6.682  -1.366  -3.821
  279   1HB   ALA  40           HB1      ALA  40  -4.895  -0.056  -1.743
  280   2HB   ALA  40           HB3      ALA  40  -6.599   0.337  -1.972
  281   3HB   ALA  40           HB2      ALA  40  -6.129  -1.277  -1.440
  282    H    VAL  41           HN       VAL  41  -3.545   0.250  -3.939
  283    HA   VAL  41           HA       VAL  41  -4.427   2.731  -5.069
  284    HB   VAL  41           HB       VAL  41  -1.788   1.293  -5.501
  285   1HG1  VAL  41          HG12      VAL  41  -2.857   3.835  -6.377
  286   2HG1  VAL  41          HG11      VAL  41  -1.456   4.083  -5.334
  287   3HG1  VAL  41          HG13      VAL  41  -1.315   3.082  -6.779
  288   1HG2  VAL  41          HG21      VAL  41  -2.673   1.735  -3.070
  289   2HG2  VAL  41          HG23      VAL  41  -1.017   2.185  -3.477
  290   3HG2  VAL  41          HG22      VAL  41  -2.278   3.417  -3.426
  291    H    VAL  42           HN       VAL  42  -3.565  -0.390  -6.472
  292    HA   VAL  42           HA       VAL  42  -3.712   0.540  -9.224
  293    HB   VAL  42           HB       VAL  42  -3.632  -1.904  -9.767
  294   1HG1  VAL  42          HG12      VAL  42  -1.654  -0.299  -8.855
  295   2HG1  VAL  42          HG11      VAL  42  -1.574  -1.596  -7.663
  296   3HG1  VAL  42          HG13      VAL  42  -1.388  -1.962  -9.378
  297   1HG2  VAL  42          HG23      VAL  42  -3.636  -2.177  -6.751
  298   2HG2  VAL  42          HG22      VAL  42  -4.908  -2.734  -7.833
  299   3HG2  VAL  42          HG21      VAL  42  -3.313  -3.479  -7.885
  300    H    GLU  43           HN       GLU  43  -5.938  -1.157  -7.026
  301    HA   GLU  43           HA       GLU  43  -7.982  -1.275  -9.148
  302   1HB   GLU  43           HB2      GLU  43  -7.439  -2.946  -7.039
  303   2HB   GLU  43           HB1      GLU  43  -8.755  -1.983  -6.399
  304   1HG   GLU  43           HG2      GLU  43  -9.963  -3.620  -7.475
  305   2HG   GLU  43           HG1      GLU  43  -9.820  -2.432  -8.772
  306    H    SER  44           HN       SER  44  -6.914   1.230  -7.577
  307    HA   SER  44           HA       SER  44  -9.652   2.301  -7.017
  308   1HB   SER  44           HB2      SER  44  -8.355   1.915  -4.918
  309   2HB   SER  44           HB1      SER  44  -7.107   3.001  -5.523
  310    HG   SER  44           HG       SER  44  -9.099   3.729  -4.134
  311    H    ASN  45           HN       ASN  45  -7.135   2.468  -9.087
  312    HA   ASN  45           HA       ASN  45  -6.546   4.076 -10.692
  313   1HB   ASN  45           HB2      ASN  45  -9.130   5.008  -9.662
  314   2HB   ASN  45           HB1      ASN  45  -8.077   6.326 -10.152
  315   1HD2  ASN  45          HD22      ASN  45  -9.296   3.629 -12.998
  316   2HD2  ASN  45          HD21      ASN  45  -9.298   3.172 -11.364
  317    H    GLY  46           HN       GLY  46  -5.859   4.112  -7.599
  318   1HA   GLY  46           HA2      GLY  46  -4.086   5.224  -6.498
  319   2HA   GLY  46           HA1      GLY  46  -4.002   6.373  -7.829
  320    H    THR  47           HN       THR  47  -7.148   5.849  -6.620
  321    HA   THR  47           HA       THR  47  -7.261   8.578  -5.563
  322    HB   THR  47           HB       THR  47  -9.627   8.179  -5.315
  323    HG1  THR  47           HG1      THR  47  -9.463   6.119  -4.370
  324   1HG2  THR  47          HG21      THR  47  -8.208   7.452  -7.751
  325   2HG2  THR  47          HG23      THR  47  -9.781   6.659  -7.651
  326   3HG2  THR  47          HG22      THR  47  -9.672   8.417  -7.555
  327    H    LEU  48           HN       LEU  48  -6.320   5.604  -4.340
  328    HA   LEU  48           HA       LEU  48  -7.366   5.910  -1.637
  329   1HB   LEU  48           HB2      LEU  48  -7.016   3.664  -2.210
  330   2HB   LEU  48           HB1      LEU  48  -5.507   4.016  -3.046
  331    HG   LEU  48           HG       LEU  48  -4.357   4.379  -0.950
  332   1HD1  LEU  48          HD12      LEU  48  -7.118   4.586   0.049
  333   2HD1  LEU  48          HD11      LEU  48  -6.034   3.674   1.097
  334   3HD1  LEU  48          HD13      LEU  48  -5.645   5.336   0.657
  335   1HD2  LEU  48          HD22      LEU  48  -5.018   1.982  -1.806
  336   2HD2  LEU  48          HD21      LEU  48  -4.280   2.167  -0.215
  337   3HD2  LEU  48          HD23      LEU  48  -6.026   1.955  -0.359
  338    H    THR  49           HN       THR  49  -4.015   5.480  -2.551
  339    HA   THR  49           HA       THR  49  -2.049   6.548  -1.931
  340    HB   THR  49           HB       THR  49  -2.068   8.791  -2.184
  341    HG1  THR  49           HG1      THR  49  -3.637  10.030  -0.783
  342   1HG2  THR  49          HG22      THR  49  -4.308   7.910  -3.378
  343   2HG2  THR  49          HG21      THR  49  -5.028   9.034  -2.225
  344   3HG2  THR  49          HG23      THR  49  -3.833   9.608  -3.387
  345    H    LEU  50           HN       LEU  50  -1.149   7.692   0.231
  346    HA   LEU  50           HA       LEU  50  -2.694   6.571   2.484
  347   1HB   LEU  50           HB2      LEU  50  -1.114   5.025   2.724
  348   2HB   LEU  50           HB1      LEU  50  -0.211   5.705   1.383
  349    HG   LEU  50           HG       LEU  50  -0.032   6.962   4.105
  350   1HD1  LEU  50          HD12      LEU  50   0.484   4.292   3.578
  351   2HD1  LEU  50          HD11      LEU  50   2.062   5.073   3.467
  352   3HD1  LEU  50          HD13      LEU  50   1.102   5.230   4.939
  353   1HD2  LEU  50          HD22      LEU  50   0.970   7.736   1.723
  354   2HD2  LEU  50          HD21      LEU  50   1.852   7.983   3.229
  355   3HD2  LEU  50          HD23      LEU  50   2.238   6.606   2.197
  356    H    SER  51           HN       SER  51  -1.957   7.471   4.614
  357    HA   SER  51           HA       SER  51  -1.214  10.338   4.271
  358   1HB   SER  51           HB2      SER  51  -3.486   9.115   5.567
  359   2HB   SER  51           HB1      SER  51  -2.498   9.892   6.757
  360    HG   SER  51           HG       SER  51  -3.330  11.680   6.076
  361    H    HIS  52           HN       HIS  52  -0.589   7.320   5.887
  362    HA   HIS  52           HA       HIS  52   1.911   8.387   6.940
  363   1HB   HIS  52           HB2      HIS  52   1.443   7.967   9.298
  364   2HB   HIS  52           HB1      HIS  52   0.285   9.134   8.662
  365    HD1  HIS  52           HD1      HIS  52   0.269   6.423  10.834
  366    HD2  HIS  52           HD2      HIS  52  -2.102   7.328   7.517
  367    HE1  HIS  52           HE1      HIS  52  -1.862   5.080  11.081
  368    H    PHE  53           HN       PHE  53   3.395   6.748   7.218
  369    HA   PHE  53           HA       PHE  53   2.628   4.076   6.334
  370   1HB   PHE  53           HB2      PHE  53   5.234   5.256   7.325
  371   2HB   PHE  53           HB1      PHE  53   5.058   3.568   6.854
  372    HD1  PHE  53           HD2      PHE  53   4.358   7.020   5.575
  373    HD2  PHE  53           HD1      PHE  53   5.403   2.965   4.624
  374    HE1  PHE  53           HE2      PHE  53   4.657   7.655   3.199
  375    HE2  PHE  53           HE1      PHE  53   5.704   3.600   2.246
  376    HZ   PHE  53           HZ       PHE  53   5.329   5.945   1.532
  377    H    GLY  54           HN       GLY  54   1.667   2.703   7.738
  378   1HA   GLY  54           HA2      GLY  54   2.538   1.426   9.891
  379   2HA   GLY  54           HA1      GLY  54   2.167   2.972  10.611
  380    H    LYS  55           HN       LYS  55   0.686   1.281  11.729
  381    HA   LYS  55           HA       LYS  55  -1.775   0.671  10.267
  382   1HB   LYS  55           HB2      LYS  55  -2.189   0.425  13.097
  383   2HB   LYS  55           HB1      LYS  55  -2.049  -0.857  11.901
  384   1HG   LYS  55           HG2      LYS  55   0.425  -0.763  12.118
  385   2HG   LYS  55           HG1      LYS  55   0.246   0.462  13.375
  386   1HD   LYS  55           HD2      LYS  55  -0.692  -1.044  14.896
  387   2HD   LYS  55           HD1      LYS  55  -1.212  -2.154  13.628
  388   1HE   LYS  55           HE2      LYS  55   1.442  -2.240  13.197
  389   2HE   LYS  55           HE1      LYS  55   1.454  -1.871  14.921
  390   1HZ   LYS  55           HZ2      LYS  55  -0.228  -4.028  13.801
  391   2HZ   LYS  55           HZ1      LYS  55   1.385  -4.302  14.261
  392   3HZ   LYS  55           HZ3      LYS  55   0.251  -3.791  15.414
  393    H    CYS  56           HN       CYS  56  -3.799   1.609  10.708
  394    HA   CYS  56           HA       CYS  56  -3.612   4.455  11.318
  395   1HB   CYS  56           HB2      CYS  56  -6.274   3.210  10.879
  396   2HB   CYS  56           HB1      CYS  56  -5.589   4.678  10.190
   
  No H/Q in entry =         396
  Start of MODEL           2
 Raw file had  401 H/Q atoms
  Start of MODEL    2
    1   1H    LEU   1           HT1      LEU   1  14.064   5.758   8.934
    2   2H    LEU   1           HT3      LEU   1  14.367   6.975  10.076
    3   3H    LEU   1           HT2      LEU   1  12.781   6.416   9.832
    4    HA   LEU   1           HA       LEU   1  12.753   8.379   8.662
    5   1HB   LEU   1           HB2      LEU   1  14.730   8.934   7.118
    6   2HB   LEU   1           HB1      LEU   1  15.029   9.055   8.852
    7    HG   LEU   1           HG       LEU   1  15.760   6.544   8.624
    8   1HD1  LEU   1          HD12      LEU   1  15.533   7.501   5.818
    9   2HD1  LEU   1          HD11      LEU   1  16.980   6.576   6.215
   10   3HD1  LEU   1          HD13      LEU   1  15.385   5.867   6.465
   11   1HD2  LEU   1          HD22      LEU   1  17.226   8.497   9.192
   12   2HD2  LEU   1          HD21      LEU   1  18.055   7.270   8.233
   13   3HD2  LEU   1          HD23      LEU   1  17.487   8.754   7.466
   14    H    ALA   2           HN       ALA   2  12.384   8.731   6.278
   15    HA   ALA   2           HA       ALA   2  12.778   6.812   4.269
   16   1HB   ALA   2           HB2      ALA   2  11.054   5.782   6.221
   17   2HB   ALA   2           HB1      ALA   2   9.986   6.300   4.917
   18   3HB   ALA   2           HB3      ALA   2  11.284   5.151   4.591
   19    H    ALA   3           HN       ALA   3  10.359   6.898   2.866
   20    HA   ALA   3           HA       ALA   3   9.788   9.829   2.714
   21   1HB   ALA   3           HB2      ALA   3  11.329   8.931   0.885
   22   2HB   ALA   3           HB1      ALA   3   9.947   7.997   0.312
   23   3HB   ALA   3           HB3      ALA   3   9.876   9.759   0.326
   24    H    VAL   4           HN       VAL   4   7.644  10.366   2.041
   25    HA   VAL   4           HA       VAL   4   5.648   8.349   2.746
   26    HB   VAL   4           HB       VAL   4   5.291  10.674   3.412
   27   1HG1  VAL   4          HG13      VAL   4   6.226  11.170   0.750
   28   2HG1  VAL   4          HG12      VAL   4   4.616  11.872   0.911
   29   3HG1  VAL   4          HG11      VAL   4   5.897  12.342   2.028
   30   1HG2  VAL   4          HG21      VAL   4   3.349   9.160   2.697
   31   2HG2  VAL   4          HG23      VAL   4   3.018  10.893   2.702
   32   3HG2  VAL   4          HG22      VAL   4   3.338  10.061   1.181
   33    H    SER   5           HN       SER   5   5.906   6.773   1.060
   34    HA   SER   5           HA       SER   5   4.190   6.964  -1.141
   35   1HB   SER   5           HB2      SER   5   5.375   8.564  -2.325
   36   2HB   SER   5           HB1      SER   5   6.923   8.070  -1.646
   37    HG   SER   5           HG       SER   5   6.642   7.460  -3.862
   38    H    VAL   6           HN       VAL   6   3.815   4.820  -1.404
   39    HA   VAL   6           HA       VAL   6   5.901   2.868  -0.759
   40    HB   VAL   6           HB       VAL   6   3.228   2.769  -0.457
   41   1HG1  VAL   6          HG11      VAL   6   3.273   2.669  -3.153
   42   2HG1  VAL   6          HG13      VAL   6   3.415   0.947  -2.798
   43   3HG1  VAL   6          HG12      VAL   6   2.037   1.864  -2.188
   44   1HG2  VAL   6          HG21      VAL   6   5.413   0.901  -0.442
   45   2HG2  VAL   6          HG23      VAL   6   3.941   0.875   0.527
   46   3HG2  VAL   6          HG22      VAL   6   3.971   0.088  -1.050
   47    H    ASP   7           HN       ASP   7   5.530   0.869  -2.595
   48    HA   ASP   7           HA       ASP   7   6.466   2.140  -5.139
   49   1HB   ASP   7           HB2      ASP   7   8.096   0.665  -3.793
   50   2HB   ASP   7           HB1      ASP   7   7.071  -0.693  -4.267
   51    H    CYS   8           HN       CYS   8   4.928   1.973  -6.718
   52    HA   CYS   8           HA       CYS   8   3.177  -0.437  -6.641
   53   1HB   CYS   8           HB2      CYS   8   2.537   2.436  -7.154
   54   2HB   CYS   8           HB1      CYS   8   1.604   1.198  -7.987
   55    H    SER   9           HN       SER   9   5.632  -0.428  -8.040
   56    HA   SER   9           HA       SER   9   4.918   0.030 -10.865
   57   1HB   SER   9           HB2      SER   9   7.421  -0.407  -9.349
   58   2HB   SER   9           HB1      SER   9   7.382  -1.114 -10.962
   59    HG   SER   9           HG       SER   9   7.797   0.843 -11.598
   60    H    GLU  10           HN       GLU  10   4.226  -2.320  -8.755
   61    HA   GLU  10           HA       GLU  10   4.037  -4.341 -10.907
   62   1HB   GLU  10           HB2      GLU  10   5.231  -5.136  -8.258
   63   2HB   GLU  10           HB1      GLU  10   5.209  -6.052  -9.763
   64   1HG   GLU  10           HG2      GLU  10   7.417  -5.223  -9.637
   65   2HG   GLU  10           HG1      GLU  10   6.610  -4.111 -10.739
   66    H    TYR  11           HN       TYR  11   1.797  -3.202 -10.047
   67    HA   TYR  11           HA       TYR  11   0.526  -5.313  -8.510
   68   1HB   TYR  11           HB2      TYR  11   0.404  -2.432  -7.622
   69   2HB   TYR  11           HB1      TYR  11  -0.472  -3.777  -6.889
   70    HD1  TYR  11           HD1      TYR  11   0.797  -5.631  -5.748
   71    HD2  TYR  11           HD2      TYR  11   2.745  -2.116  -7.238
   72    HE1  TYR  11           HE1      TYR  11   2.811  -6.181  -4.411
   73    HE2  TYR  11           HE2      TYR  11   4.761  -2.658  -5.897
   74    HH   TYR  11           HH       TYR  11   5.624  -4.005  -4.343
   75    HA   PRO  12           HA       PRO  12  -1.507  -5.486  -7.629
   76   1HB   PRO  12           HB2      PRO  12  -3.239  -7.395  -8.610
   77   2HB   PRO  12           HB1      PRO  12  -3.776  -5.862  -7.901
   78   1HG   PRO  12           HG2      PRO  12  -3.573  -6.627 -10.802
   79   2HG   PRO  12           HG1      PRO  12  -4.764  -5.587  -9.998
   80   1HD   PRO  12           HD2      PRO  12  -2.615  -4.591 -11.447
   81   2HD   PRO  12           HD1      PRO  12  -3.446  -3.736 -10.189
   82    H    LYS  13           HN       LYS  13  -0.264  -7.224  -7.112
   83    HA   LYS  13           HA       LYS  13   1.123  -8.667  -9.315
   84   1HB   LYS  13           HB2      LYS  13   1.924  -7.573  -6.801
   85   2HB   LYS  13           HB1      LYS  13   2.117  -9.321  -6.708
   86   1HG   LYS  13           HG2      LYS  13   3.358  -9.216  -8.905
   87   2HG   LYS  13           HG1      LYS  13   3.299  -7.459  -8.781
   88   1HD   LYS  13           HD2      LYS  13   5.094  -7.483  -7.431
   89   2HD   LYS  13           HD1      LYS  13   4.217  -8.490  -6.278
   90   1HE   LYS  13           HE2      LYS  13   5.092 -10.467  -7.127
   91   2HE   LYS  13           HE1      LYS  13   5.369  -9.779  -8.727
   92   1HZ   LYS  13           HZ3      LYS  13   6.991  -8.262  -7.321
   93   2HZ   LYS  13           HZ2      LYS  13   7.024  -9.641  -6.329
   94   3HZ   LYS  13           HZ1      LYS  13   7.482  -9.753  -7.961
   95    HA   PRO  14           HA       PRO  14  -1.158 -12.314  -8.282
   96   1HB   PRO  14           HB2      PRO  14   0.478 -14.132  -9.532
   97   2HB   PRO  14           HB1      PRO  14  -0.645 -13.067 -10.395
   98   1HG   PRO  14           HG2      PRO  14   2.322 -12.879 -10.170
   99   2HG   PRO  14           HG1      PRO  14   1.256 -12.293 -11.457
  100   1HD   PRO  14           HD2      PRO  14   2.429 -10.710  -9.455
  101   2HD   PRO  14           HD1      PRO  14   1.097 -10.222 -10.482
  102    H    ALA  15           HN       ALA  15   1.397 -11.348  -6.662
  103    HA   ALA  15           HA       ALA  15   1.325 -13.488  -4.719
  104   1HB   ALA  15           HB1      ALA  15   3.534 -13.373  -6.717
  105   2HB   ALA  15           HB3      ALA  15   3.994 -13.671  -5.040
  106   3HB   ALA  15           HB2      ALA  15   2.872 -14.762  -5.855
  107    H    CYS  16           HN       CYS  16   1.246 -12.154  -2.950
  108    HA   CYS  16           HA       CYS  16   2.829  -9.653  -2.964
  109   1HB   CYS  16           HB2      CYS  16   0.879 -10.673  -0.871
  110   2HB   CYS  16           HB1      CYS  16   1.556  -9.052  -0.980
  111    H    THR  17           HN       THR  17   4.592  -9.306  -1.659
  112    HA   THR  17           HA       THR  17   6.091 -11.482  -0.644
  113    HB   THR  17           HB       THR  17   7.149  -9.553   0.815
  114    HG1  THR  17           HG1      THR  17   6.015  -7.806   0.667
  115   1HG2  THR  17          HG21      THR  17   7.230 -10.117  -2.091
  116   2HG2  THR  17          HG23      THR  17   7.943  -8.583  -1.592
  117   3HG2  THR  17          HG22      THR  17   8.540 -10.096  -0.910
  118    H    LEU  18           HN       LEU  18   6.751 -10.958   2.009
  119    HA   LEU  18           HA       LEU  18   4.121 -11.374   3.367
  120   1HB   LEU  18           HB2      LEU  18   5.296 -12.878   4.937
  121   2HB   LEU  18           HB1      LEU  18   5.469 -13.447   3.276
  122    HG   LEU  18           HG       LEU  18   7.565 -11.559   4.139
  123   1HD1  LEU  18          HD11      LEU  18   6.993 -14.091   5.621
  124   2HD1  LEU  18          HD13      LEU  18   8.677 -13.723   5.248
  125   3HD1  LEU  18          HD12      LEU  18   7.718 -12.590   6.200
  126   1HD2  LEU  18          HD22      LEU  18   7.230 -13.237   2.055
  127   2HD2  LEU  18          HD21      LEU  18   8.826 -12.779   2.651
  128   3HD2  LEU  18          HD23      LEU  18   8.107 -14.313   3.141
  129    H    GLU  19           HN       GLU  19   7.016  -9.526   3.257
  130    HA   GLU  19           HA       GLU  19   7.475  -8.720   5.874
  131   1HB   GLU  19           HB2      GLU  19   7.342  -7.004   3.379
  132   2HB   GLU  19           HB1      GLU  19   7.993  -6.444   4.920
  133   1HG   GLU  19           HG2      GLU  19   9.948  -7.494   4.552
  134   2HG   GLU  19           HG1      GLU  19   9.122  -9.018   4.220
  135    H    TYR  20           HN       TYR  20   6.173  -7.890   7.432
  136    HA   TYR  20           HA       TYR  20   3.437  -7.102   6.743
  137   1HB   TYR  20           HB2      TYR  20   3.956  -8.428   8.792
  138   2HB   TYR  20           HB1      TYR  20   4.838  -7.041   9.432
  139    HD1  TYR  20           HD2      TYR  20   1.659  -7.110   7.468
  140    HD2  TYR  20           HD1      TYR  20   3.530  -6.286  11.247
  141    HE1  TYR  20           HE2      TYR  20  -0.467  -6.147   8.310
  142    HE2  TYR  20           HE1      TYR  20   1.405  -5.322  12.089
  143    HH   TYR  20           HH       TYR  20  -1.561  -5.736  10.487
  144    H    ARG  21           HN       ARG  21   3.555  -5.135   5.637
  145    HA   ARG  21           HA       ARG  21   4.635  -2.834   7.219
  146   1HB   ARG  21           HB2      ARG  21   4.288  -2.720   4.234
  147   2HB   ARG  21           HB1      ARG  21   5.389  -1.800   5.261
  148   1HG   ARG  21           HG2      ARG  21   6.205  -4.380   5.733
  149   2HG   ARG  21           HG1      ARG  21   5.749  -4.448   4.030
  150   1HD   ARG  21           HD2      ARG  21   7.852  -3.631   3.697
  151   2HD   ARG  21           HD1      ARG  21   7.097  -2.086   4.086
  152    HE   ARG  21           HE       ARG  21   8.424  -3.742   6.194
  153   1HH1  ARG  21          HH21      ARG  21   6.882  -0.895   6.050
  154   2HH1  ARG  21          HH22      ARG  21   8.228   0.119   6.453
  155   1HH2  ARG  21          HH11      ARG  21  10.583  -2.396   6.052
  156   2HH2  ARG  21          HH12      ARG  21  10.325  -0.730   6.453
  157    HA   PRO  22           HA       PRO  22   0.132  -2.331   6.932
  158   1HB   PRO  22           HB2      PRO  22  -0.026  -0.874   9.272
  159   2HB   PRO  22           HB1      PRO  22  -0.093  -2.650   9.188
  160   1HG   PRO  22           HG2      PRO  22   2.184  -0.883  10.010
  161   2HG   PRO  22           HG1      PRO  22   1.774  -2.517  10.562
  162   1HD   PRO  22           HD2      PRO  22   3.789  -1.935   8.721
  163   2HD   PRO  22           HD1      PRO  22   3.002  -3.520   8.888
  164    H    LEU  23           HN       LEU  23   0.021  -0.876   5.190
  165    HA   LEU  23           HA       LEU  23   0.990   1.900   5.657
  166   1HB   LEU  23           HB2      LEU  23  -0.179   0.745   3.115
  167   2HB   LEU  23           HB1      LEU  23   0.840   2.176   3.284
  168    HG   LEU  23           HG       LEU  23   2.002  -0.333   4.339
  169   1HD1  LEU  23          HD12      LEU  23   1.399   0.099   1.411
  170   2HD1  LEU  23          HD11      LEU  23   2.696  -0.959   1.966
  171   3HD1  LEU  23          HD13      LEU  23   1.024  -1.313   2.399
  172   1HD2  LEU  23          HD22      LEU  23   2.981   2.109   3.944
  173   2HD2  LEU  23          HD21      LEU  23   3.992   0.681   3.720
  174   3HD2  LEU  23          HD23      LEU  23   3.271   1.479   2.322
  175    H    CYS  24           HN       CYS  24  -0.480   3.405   6.308
  176    HA   CYS  24           HA       CYS  24  -3.326   2.717   6.310
  177   1HB   CYS  24           HB2      CYS  24  -2.769   3.922   8.233
  178   2HB   CYS  24           HB1      CYS  24  -1.658   4.955   7.374
  179    H    GLY  25           HN       GLY  25  -4.839   3.448   4.892
  180   1HA   GLY  25           HA2      GLY  25  -4.142   4.572   2.361
  181   2HA   GLY  25           HA1      GLY  25  -5.692   4.503   3.022
  182    H    SER  26           HN       SER  26  -5.438   6.860   1.788
  183    HA   SER  26           HA       SER  26  -4.270   8.777   3.733
  184   1HB   SER  26           HB2      SER  26  -3.853   9.324   1.440
  185   2HB   SER  26           HB1      SER  26  -5.547   9.125   1.013
  186    HG   SER  26           HG       SER  26  -4.273  11.293   1.943
  187    H    ASP  27           HN       ASP  27  -7.232   7.250   3.295
  188    HA   ASP  27           HA       ASP  27  -8.801   9.532   4.356
  189   1HB   ASP  27           HB2      ASP  27 -10.741   8.084   4.064
  190   2HB   ASP  27           HB1      ASP  27  -9.771   8.027   2.592
  191    H    ASN  28           HN       ASN  28  -7.612   6.344   5.244
  192    HA   ASN  28           HA       ASN  28  -6.864   6.459   7.771
  193   1HB   ASN  28           HB2      ASN  28  -8.896   6.168   9.254
  194   2HB   ASN  28           HB1      ASN  28  -8.720   7.785   8.576
  195   1HD2  ASN  28          HD22      ASN  28 -12.058   7.513   7.453
  196   2HD2  ASN  28          HD21      ASN  28 -10.936   8.371   8.395
  197    H    LYS  29           HN       LYS  29  -6.938   4.625   5.599
  198    HA   LYS  29           HA       LYS  29  -8.305   2.256   6.792
  199   1HB   LYS  29           HB2      LYS  29  -8.267   3.148   4.182
  200   2HB   LYS  29           HB1      LYS  29  -7.010   1.910   4.174
  201   1HG   LYS  29           HG2      LYS  29  -8.660   0.380   4.016
  202   2HG   LYS  29           HG1      LYS  29  -9.081   0.787   5.680
  203   1HD   LYS  29           HD2      LYS  29 -11.097   1.353   4.787
  204   2HD   LYS  29           HD1      LYS  29 -10.269   2.841   4.328
  205   1HE   LYS  29           HE2      LYS  29  -9.549   1.176   2.278
  206   2HE   LYS  29           HE1      LYS  29 -11.178   0.603   2.638
  207   1HZ   LYS  29           HZ1      LYS  29 -11.182   3.401   2.709
  208   2HZ   LYS  29           HZ3      LYS  29 -10.429   2.918   1.267
  209   3HZ   LYS  29           HZ2      LYS  29 -11.997   2.373   1.629
  210    H    THR  30           HN       THR  30  -6.810   0.188   5.902
  211    HA   THR  30           HA       THR  30  -3.957   0.680   6.411
  212    HB   THR  30           HB       THR  30  -5.728  -0.802   8.369
  213    HG1  THR  30           HG1      THR  30  -4.298   0.472   9.781
  214   1HG2  THR  30          HG22      THR  30  -2.805  -1.190   7.752
  215   2HG2  THR  30          HG21      THR  30  -3.405  -1.427   9.394
  216   3HG2  THR  30          HG23      THR  30  -4.040  -2.408   8.072
  217    H    TYR  31           HN       TYR  31  -2.752  -0.874   5.380
  218    HA   TYR  31           HA       TYR  31  -4.168  -3.329   4.433
  219   1HB   TYR  31           HB2      TYR  31  -2.382  -1.420   2.934
  220   2HB   TYR  31           HB1      TYR  31  -2.584  -3.087   2.396
  221    HD1  TYR  31           HD1      TYR  31  -4.596  -0.111   3.475
  222    HD2  TYR  31           HD2      TYR  31  -4.433  -3.631   1.030
  223    HE1  TYR  31           HE1      TYR  31  -6.777   0.490   2.460
  224    HE2  TYR  31           HE2      TYR  31  -6.606  -3.030   0.008
  225    HH   TYR  31           HH       TYR  31  -7.871  -0.492  -0.255
  226    H    GLY  32           HN       GLY  32  -2.969  -5.238   4.650
  227   1HA   GLY  32           HA2      GLY  32  -1.101  -5.404   6.672
  228   2HA   GLY  32           HA1      GLY  32  -1.195  -6.607   5.413
  229    H    ASN  33           HN       ASN  33  -0.242  -5.332   3.186
  230    HA   ASN  33           HA       ASN  33   2.252  -3.987   4.033
  231   1HB   ASN  33           HB2      ASN  33   3.662  -5.447   2.631
  232   2HB   ASN  33           HB1      ASN  33   2.913  -6.306   3.951
  233   1HD2  ASN  33          HD22      ASN  33   2.448  -8.420   0.974
  234   2HD2  ASN  33          HD21      ASN  33   3.735  -7.902   1.947
  235    H    LYS  34           HN       LYS  34   3.571  -3.887   1.689
  236    HA   LYS  34           HA       LYS  34   2.278  -1.765   0.340
  237   1HB   LYS  34           HB2      LYS  34   4.229  -1.792  -1.025
  238   2HB   LYS  34           HB1      LYS  34   4.757  -2.293   0.571
  239   1HG   LYS  34           HG2      LYS  34   4.339  -4.706  -0.240
  240   2HG   LYS  34           HG1      LYS  34   4.281  -4.014  -1.864
  241   1HD   LYS  34           HD2      LYS  34   6.531  -2.962  -1.409
  242   2HD   LYS  34           HD1      LYS  34   6.596  -3.907   0.081
  243   1HE   LYS  34           HE2      LYS  34   5.916  -5.845  -1.692
  244   2HE   LYS  34           HE1      LYS  34   6.876  -4.796  -2.733
  245   1HZ   LYS  34           HZ3      LYS  34   7.837  -5.598  -0.056
  246   2HZ   LYS  34           HZ2      LYS  34   8.083  -6.593  -1.410
  247   3HZ   LYS  34           HZ1      LYS  34   8.736  -5.024  -1.375
  248    H    CYS  35           HN       CYS  35   2.206  -5.227  -0.247
  249    HA   CYS  35           HA       CYS  35   1.379  -4.969  -3.024
  250   1HB   CYS  35           HB2      CYS  35   2.457  -7.024  -2.139
  251   2HB   CYS  35           HB1      CYS  35   1.037  -7.306  -1.131
  252    H    ASN  36           HN       ASN  36  -0.316  -5.473   0.066
  253    HA   ASN  36           HA       ASN  36  -2.919  -5.603  -1.238
  254   1HB   ASN  36           HB2      ASN  36  -1.998  -5.428   1.633
  255   2HB   ASN  36           HB1      ASN  36  -3.704  -5.298   1.213
  256   1HD2  ASN  36          HD22      ASN  36  -1.815  -8.905   0.844
  257   2HD2  ASN  36          HD21      ASN  36  -0.909  -7.496   1.110
  258    H    PHE  37           HN       PHE  37  -0.921  -3.115   0.241
  259    HA   PHE  37           HA       PHE  37  -3.025  -1.080   0.263
  260   1HB   PHE  37           HB2      PHE  37  -0.890  -1.142   1.680
  261   2HB   PHE  37           HB1      PHE  37  -0.057  -0.523   0.354
  262    HD1  PHE  37           HD1      PHE  37  -3.026   0.323   2.453
  263    HD2  PHE  37           HD2      PHE  37  -0.022   1.559  -0.319
  264    HE1  PHE  37           HE1      PHE  37  -3.799   2.674   2.700
  265    HE2  PHE  37           HE2      PHE  37  -0.748   3.900  -0.110
  266    HZ   PHE  37           HZ       PHE  37  -2.637   4.481   1.395
  267    H    CYS  38           HN       CYS  38  -0.471  -2.113  -1.776
  268    HA   CYS  38           HA       CYS  38  -0.658   0.224  -3.527
  269   1HB   CYS  38           HB2      CYS  38   1.484  -0.895  -3.427
  270   2HB   CYS  38           HB1      CYS  38   0.763  -2.428  -3.929
  271    H    ASN  39           HN       ASN  39  -1.553  -3.233  -3.952
  272    HA   ASN  39           HA       ASN  39  -2.706  -2.926  -6.512
  273   1HB   ASN  39           HB2      ASN  39  -3.887  -4.663  -4.312
  274   2HB   ASN  39           HB1      ASN  39  -3.998  -4.920  -6.053
  275   1HD2  ASN  39          HD22      ASN  39  -1.312  -7.199  -5.222
  276   2HD2  ASN  39          HD21      ASN  39  -3.006  -7.118  -5.278
  277    H    ALA  40           HN       ALA  40  -4.137  -2.391  -3.292
  278    HA   ALA  40           HA       ALA  40  -6.744  -1.662  -4.203
  279   1HB   ALA  40           HB1      ALA  40  -5.328  -1.706  -1.728
  280   2HB   ALA  40           HB3      ALA  40  -5.998  -0.086  -1.916
  281   3HB   ALA  40           HB2      ALA  40  -7.061  -1.492  -1.974
  282    H    VAL  41           HN       VAL  41  -3.721   0.117  -3.898
  283    HA   VAL  41           HA       VAL  41  -4.807   2.745  -4.383
  284    HB   VAL  41           HB       VAL  41  -2.050   1.550  -4.732
  285   1HG1  VAL  41          HG11      VAL  41  -3.148   4.098  -5.684
  286   2HG1  VAL  41          HG13      VAL  41  -1.731   4.296  -4.652
  287   3HG1  VAL  41          HG12      VAL  41  -1.633   3.299  -6.104
  288   1HG2  VAL  41          HG21      VAL  41  -3.321   2.110  -2.439
  289   2HG2  VAL  41          HG23      VAL  41  -1.589   2.386  -2.633
  290   3HG2  VAL  41          HG22      VAL  41  -2.721   3.728  -2.803
  291    H    VAL  42           HN       VAL  42  -3.533   0.208  -6.493
  292    HA   VAL  42           HA       VAL  42  -3.827   1.922  -8.846
  293    HB   VAL  42           HB       VAL  42  -1.924   0.653  -9.128
  294   1HG1  VAL  42          HG13      VAL  42  -3.331  -1.416  -7.508
  295   2HG1  VAL  42          HG12      VAL  42  -1.992  -1.901  -8.548
  296   3HG1  VAL  42          HG11      VAL  42  -1.733  -0.702  -7.282
  297   1HG2  VAL  42          HG22      VAL  42  -3.396   0.207 -11.038
  298   2HG2  VAL  42          HG21      VAL  42  -2.360  -1.180 -10.696
  299   3HG2  VAL  42          HG23      VAL  42  -4.052  -1.200 -10.200
  300    H    GLU  43           HN       GLU  43  -5.816  -0.252  -7.123
  301    HA   GLU  43           HA       GLU  43  -7.437  -0.917  -9.486
  302   1HB   GLU  43           HB2      GLU  43  -8.786  -2.133  -7.729
  303   2HB   GLU  43           HB1      GLU  43  -7.192  -2.772  -7.947
  304   1HG   GLU  43           HG2      GLU  43  -6.840  -2.460  -5.785
  305   2HG   GLU  43           HG1      GLU  43  -7.068  -0.725  -6.003
  306    H    SER  44           HN       SER  44  -7.242   1.231  -6.789
  307    HA   SER  44           HA       SER  44 -10.070   2.083  -7.059
  308   1HB   SER  44           HB2      SER  44  -9.809   3.113  -4.980
  309   2HB   SER  44           HB1      SER  44  -8.651   1.794  -4.843
  310    HG   SER  44           HG       SER  44  -7.022   3.238  -5.451
  311    H    ASN  45           HN       ASN  45  -7.678   2.624  -9.011
  312    HA   ASN  45           HA       ASN  45  -7.143   4.388 -10.464
  313   1HB   ASN  45           HB2      ASN  45  -9.744   5.192  -9.293
  314   2HB   ASN  45           HB1      ASN  45  -8.759   6.513  -9.902
  315   1HD2  ASN  45          HD22      ASN  45  -8.667   4.853 -13.235
  316   2HD2  ASN  45          HD21      ASN  45  -7.498   5.319 -12.099
  317    H    GLY  46           HN       GLY  46  -6.367   4.181  -7.447
  318   1HA   GLY  46           HA2      GLY  46  -4.730   5.301  -6.187
  319   2HA   GLY  46           HA1      GLY  46  -4.633   6.522  -7.450
  320    H    THR  47           HN       THR  47  -7.736   5.716  -6.130
  321    HA   THR  47           HA       THR  47  -8.041   8.452  -5.101
  322    HB   THR  47           HB       THR  47 -10.359   7.803  -4.666
  323    HG1  THR  47           HG1      THR  47 -10.313   5.313  -5.657
  324   1HG2  THR  47          HG21      THR  47  -9.055   7.585  -7.215
  325   2HG2  THR  47          HG23      THR  47 -10.386   6.430  -7.153
  326   3HG2  THR  47          HG22      THR  47 -10.691   8.142  -6.860
  327    H    LEU  48           HN       LEU  48  -7.064   5.408  -3.925
  328    HA   LEU  48           HA       LEU  48  -7.867   5.802  -1.155
  329   1HB   LEU  48           HB2      LEU  48  -7.699   3.542  -1.762
  330   2HB   LEU  48           HB1      LEU  48  -6.231   3.809  -2.695
  331    HG   LEU  48           HG       LEU  48  -4.906   4.044  -0.705
  332   1HD1  LEU  48          HD11      LEU  48  -7.572   4.402   0.557
  333   2HD1  LEU  48          HD13      LEU  48  -6.353   3.559   1.512
  334   3HD1  LEU  48          HD12      LEU  48  -6.039   5.192   0.924
  335   1HD2  LEU  48          HD23      LEU  48  -6.860   1.752  -0.694
  336   2HD2  LEU  48          HD22      LEU  48  -5.168   1.753  -1.189
  337   3HD2  LEU  48          HD21      LEU  48  -5.587   1.858   0.521
  338    H    THR  49           HN       THR  49  -4.614   5.174  -2.304
  339    HA   THR  49           HA       THR  49  -2.566   6.177  -1.846
  340    HB   THR  49           HB       THR  49  -2.499   8.481  -1.865
  341    HG1  THR  49           HG1      THR  49  -4.549   9.557  -0.921
  342   1HG2  THR  49          HG23      THR  49  -4.142   7.531  -3.625
  343   2HG2  THR  49          HG22      THR  49  -5.400   8.260  -2.626
  344   3HG2  THR  49          HG21      THR  49  -4.146   9.272  -3.343
  345    H    LEU  50           HN       LEU  50  -1.406   7.230   0.187
  346    HA   LEU  50           HA       LEU  50  -2.774   6.114   2.569
  347   1HB   LEU  50           HB2      LEU  50  -1.029   4.720   2.688
  348   2HB   LEU  50           HB1      LEU  50  -0.281   5.494   1.305
  349    HG   LEU  50           HG       LEU  50   0.058   7.037   3.773
  350   1HD1  LEU  50          HD12      LEU  50   0.510   4.127   3.672
  351   2HD1  LEU  50          HD11      LEU  50   1.837   5.093   4.318
  352   3HD1  LEU  50          HD13      LEU  50   0.240   5.179   5.061
  353   1HD2  LEU  50          HD21      LEU  50   1.283   7.104   1.463
  354   2HD2  LEU  50          HD23      LEU  50   2.253   7.251   2.929
  355   3HD2  LEU  50          HD22      LEU  50   2.168   5.708   2.079
  356    H    SER  51           HN       SER  51  -1.962   7.100   4.644
  357    HA   SER  51           HA       SER  51  -1.593  10.022   4.246
  358   1HB   SER  51           HB2      SER  51  -3.490   8.492   5.914
  359   2HB   SER  51           HB1      SER  51  -2.508   9.581   6.814
  360    HG   SER  51           HG       SER  51  -3.784  11.078   6.125
  361    H    HIS  52           HN       HIS  52  -0.657   7.133   5.994
  362    HA   HIS  52           HA       HIS  52   1.953   8.266   6.627
  363   1HB   HIS  52           HB2      HIS  52   1.764   8.101   9.042
  364   2HB   HIS  52           HB1      HIS  52   0.461   9.142   8.464
  365    HD1  HIS  52           HD1      HIS  52   0.846   6.670  10.861
  366    HD2  HIS  52           HD2      HIS  52  -1.870   7.054   7.711
  367    HE1  HIS  52           HE1      HIS  52  -1.126   5.181  11.418
  368    H    PHE  53           HN       PHE  53   3.430   6.572   6.776
  369    HA   PHE  53           HA       PHE  53   2.506   3.903   6.175
  370   1HB   PHE  53           HB2      PHE  53   5.197   5.039   6.945
  371   2HB   PHE  53           HB1      PHE  53   4.946   3.312   6.691
  372    HD1  PHE  53           HD2      PHE  53   4.168   6.587   5.026
  373    HD2  PHE  53           HD1      PHE  53   5.252   2.458   4.544
  374    HE1  PHE  53           HE2      PHE  53   4.336   6.919   2.575
  375    HE2  PHE  53           HE1      PHE  53   5.420   2.789   2.091
  376    HZ   PHE  53           HZ       PHE  53   4.962   5.020   1.107
  377    H    GLY  54           HN       GLY  54   1.516   2.662   7.656
  378   1HA   GLY  54           HA2      GLY  54   2.467   1.522   9.918
  379   2HA   GLY  54           HA1      GLY  54   1.931   3.088  10.502
  380    H    LYS  55           HN       LYS  55   0.498   1.365  11.662
  381    HA   LYS  55           HA       LYS  55  -1.823   0.548  10.047
  382   1HB   LYS  55           HB2      LYS  55  -2.575  -0.009  12.603
  383   2HB   LYS  55           HB1      LYS  55  -1.726  -1.150  11.574
  384   1HG   LYS  55           HG2      LYS  55  -0.387   0.772  13.528
  385   2HG   LYS  55           HG1      LYS  55  -0.733  -0.896  13.841
  386   1HD   LYS  55           HD2      LYS  55   0.616  -0.778  11.335
  387   2HD   LYS  55           HD1      LYS  55   1.553   0.109  12.536
  388   1HE   LYS  55           HE2      LYS  55   0.704  -2.163  13.904
  389   2HE   LYS  55           HE1      LYS  55   1.110  -2.763  12.297
  390   1HZ   LYS  55           HZ1      LYS  55   3.056  -0.907  13.120
  391   2HZ   LYS  55           HZ3      LYS  55   2.856  -2.065  14.343
  392   3HZ   LYS  55           HZ2      LYS  55   3.246  -2.557  12.765
  393    H    CYS  56           HN       CYS  56  -2.939   2.403   9.513
  394    HA   CYS  56           HA       CYS  56  -3.276   4.765  10.887
  395   1HB   CYS  56           HB2      CYS  56  -4.601   3.479   8.760
  396   2HB   CYS  56           HB1      CYS  56  -5.867   3.940   9.898
   
  No H/Q in entry =         396
  Start of MODEL           3
 Raw file had  401 H/Q atoms
  Start of MODEL    3
    1   1H    LEU   1           HT3      LEU   1   8.860   6.152   5.595
    2   2H    LEU   1           HT2      LEU   1   9.195   4.616   6.240
    3   3H    LEU   1           HT1      LEU   1   8.678   5.875   7.259
    4    HA   LEU   1           HA       LEU   1  10.746   6.544   7.592
    5   1HB   LEU   1           HB2      LEU   1  10.941   3.920   6.481
    6   2HB   LEU   1           HB1      LEU   1  12.272   4.879   5.833
    7    HG   LEU   1           HG       LEU   1  12.174   5.613   8.519
    8   1HD1  LEU   1          HD13      LEU   1  10.660   3.397   8.511
    9   2HD1  LEU   1          HD12      LEU   1  12.246   2.630   8.577
   10   3HD1  LEU   1          HD11      LEU   1  11.764   3.767   9.836
   11   1HD2  LEU   1          HD23      LEU   1  13.886   3.860   6.799
   12   2HD2  LEU   1          HD22      LEU   1  14.296   5.365   7.623
   13   3HD2  LEU   1          HD21      LEU   1  14.186   3.860   8.536
   14    H    ALA   2           HN       ALA   2  10.769   8.596   6.641
   15    HA   ALA   2           HA       ALA   2  11.666  10.203   5.164
   16   1HB   ALA   2           HB1      ALA   2  13.389   8.235   4.789
   17   2HB   ALA   2           HB3      ALA   2  12.534   8.056   3.257
   18   3HB   ALA   2           HB2      ALA   2  13.324   9.581   3.652
   19    H    ALA   3           HN       ALA   3  10.404  11.338   3.766
   20    HA   ALA   3           HA       ALA   3   8.843  11.788   2.068
   21   1HB   ALA   3           HB1      ALA   3  10.160   9.340   1.254
   22   2HB   ALA   3           HB3      ALA   3   8.460   9.306   0.790
   23   3HB   ALA   3           HB2      ALA   3   9.494  10.628   0.249
   24    H    VAL   4           HN       VAL   4   6.658  10.585   1.161
   25    HA   VAL   4           HA       VAL   4   5.383   8.991   3.290
   26    HB   VAL   4           HB       VAL   4   4.950  11.174   4.174
   27   1HG1  VAL   4          HG12      VAL   4   5.005  11.900   1.376
   28   2HG1  VAL   4          HG11      VAL   4   3.545  12.531   2.136
   29   3HG1  VAL   4          HG13      VAL   4   5.129  12.943   2.792
   30   1HG2  VAL   4          HG22      VAL   4   2.886   9.515   3.154
   31   2HG2  VAL   4          HG21      VAL   4   2.779  10.657   4.494
   32   3HG2  VAL   4          HG23      VAL   4   2.388  11.180   2.855
   33    H    SER   5           HN       SER   5   5.609   7.671   1.182
   34    HA   SER   5           HA       SER   5   3.082   7.258   0.013
   35   1HB   SER   5           HB2      SER   5   3.539   8.177  -2.305
   36   2HB   SER   5           HB1      SER   5   3.246   9.401  -1.072
   37    HG   SER   5           HG       SER   5   5.589   9.465  -0.843
   38    H    VAL   6           HN       VAL   6   3.133   5.363  -1.204
   39    HA   VAL   6           HA       VAL   6   5.856   4.229  -1.695
   40    HB   VAL   6           HB       VAL   6   3.299   2.640  -1.422
   41   1HG1  VAL   6          HG11      VAL   6   5.432   1.672  -2.451
   42   2HG1  VAL   6          HG13      VAL   6   6.163   1.845  -0.856
   43   3HG1  VAL   6          HG12      VAL   6   4.768   0.788  -1.078
   44   1HG2  VAL   6          HG22      VAL   6   4.782   4.087   0.620
   45   2HG2  VAL   6          HG21      VAL   6   3.265   3.203   0.765
   46   3HG2  VAL   6          HG23      VAL   6   4.801   2.351   0.930
   47    H    ASP   7           HN       ASP   7   6.106   2.946  -3.660
   48    HA   ASP   7           HA       ASP   7   4.432   3.997  -5.870
   49   1HB   ASP   7           HB2      ASP   7   6.919   4.079  -6.047
   50   2HB   ASP   7           HB1      ASP   7   6.956   2.317  -5.969
   51    H    CYS   8           HN       CYS   8   3.082   2.682  -7.084
   52    HA   CYS   8           HA       CYS   8   3.215  -0.253  -6.697
   53   1HB   CYS   8           HB2      CYS   8   0.595   1.206  -6.334
   54   2HB   CYS   8           HB1      CYS   8   0.968  -0.475  -5.951
   55    H    SER   9           HN       SER   9   3.944   0.944  -9.019
   56    HA   SER   9           HA       SER   9   1.593   1.092 -10.804
   57   1HB   SER   9           HB2      SER   9   4.120   2.295 -10.808
   58   2HB   SER   9           HB1      SER   9   4.187   1.130 -12.125
   59    HG   SER   9           HG       SER   9   2.402   2.079 -13.035
   60    H    GLU  10           HN       GLU  10   2.678  -1.474  -9.462
   61    HA   GLU  10           HA       GLU  10   2.728  -3.064 -11.989
   62   1HB   GLU  10           HB2      GLU  10   4.440  -3.626  -9.551
   63   2HB   GLU  10           HB1      GLU  10   4.435  -4.535 -11.062
   64   1HG   GLU  10           HG2      GLU  10   6.167  -3.155 -11.605
   65   2HG   GLU  10           HG1      GLU  10   4.878  -2.014 -11.995
   66    H    TYR  11           HN       TYR  11   0.744  -2.408  -9.701
   67    HA   TYR  11           HA       TYR  11   0.214  -5.154  -8.755
   68   1HB   TYR  11           HB2      TYR  11  -0.665  -2.399  -7.883
   69   2HB   TYR  11           HB1      TYR  11  -1.472  -3.843  -7.284
   70    HD1  TYR  11           HD2      TYR  11   1.751  -2.035  -7.446
   71    HD2  TYR  11           HD1      TYR  11  -0.374  -5.344  -5.724
   72    HE1  TYR  11           HE2      TYR  11   3.602  -2.379  -5.834
   73    HE2  TYR  11           HE1      TYR  11   1.482  -5.694  -4.109
   74    HH   TYR  11           HH       TYR  11   3.485  -5.029  -3.446
   75    HA   PRO  12           HA       PRO  12  -1.812  -5.583  -7.579
   76   1HB   PRO  12           HB2      PRO  12  -3.241  -7.898  -7.985
   77   2HB   PRO  12           HB1      PRO  12  -3.989  -6.348  -7.563
   78   1HG   PRO  12           HG2      PRO  12  -3.916  -7.739 -10.205
   79   2HG   PRO  12           HG1      PRO  12  -5.123  -6.612  -9.563
   80   1HD   PRO  12           HD2      PRO  12  -3.091  -5.962 -11.410
   81   2HD   PRO  12           HD1      PRO  12  -4.073  -4.816 -10.519
   82    H    LYS  13           HN       LYS  13  -0.989  -7.774  -6.793
   83    HA   LYS  13           HA       LYS  13   0.931  -8.925  -8.785
   84   1HB   LYS  13           HB2      LYS  13   1.371  -7.688  -6.250
   85   2HB   LYS  13           HB1      LYS  13   1.738  -9.401  -6.080
   86   1HG   LYS  13           HG2      LYS  13   3.049  -9.097  -8.318
   87   2HG   LYS  13           HG1      LYS  13   2.989  -7.379  -7.925
   88   1HD   LYS  13           HD2      LYS  13   4.851  -7.781  -6.698
   89   2HD   LYS  13           HD1      LYS  13   3.747  -8.499  -5.525
   90   1HE   LYS  13           HE2      LYS  13   4.397 -10.624  -6.021
   91   2HE   LYS  13           HE1      LYS  13   4.528 -10.284  -7.746
   92   1HZ   LYS  13           HZ1      LYS  13   6.589  -9.025  -7.221
   93   2HZ   LYS  13           HZ3      LYS  13   6.489  -9.602  -5.629
   94   3HZ   LYS  13           HZ2      LYS  13   6.698 -10.692  -6.915
   95    HA   PRO  14           HA       PRO  14  -1.032 -12.774  -7.841
   96   1HB   PRO  14           HB2      PRO  14   0.924 -14.441  -8.818
   97   2HB   PRO  14           HB1      PRO  14  -0.205 -13.543  -9.847
   98   1HG   PRO  14           HG2      PRO  14   2.680 -13.013  -9.316
   99   2HG   PRO  14           HG1      PRO  14   1.705 -12.594 -10.733
  100   1HD   PRO  14           HD2      PRO  14   2.473 -10.821  -8.695
  101   2HD   PRO  14           HD1      PRO  14   1.217 -10.522  -9.877
  102    H    ALA  15           HN       ALA  15   1.217 -11.472  -6.012
  103    HA   ALA  15           HA       ALA  15   1.103 -13.441  -3.931
  104   1HB   ALA  15           HB1      ALA  15   3.218 -13.764  -5.850
  105   2HB   ALA  15           HB3      ALA  15   3.922 -13.261  -4.314
  106   3HB   ALA  15           HB2      ALA  15   2.913 -14.706  -4.391
  107    H    CYS  16           HN       CYS  16   0.809 -11.940  -2.329
  108    HA   CYS  16           HA       CYS  16   2.107  -9.327  -2.463
  109   1HB   CYS  16           HB2      CYS  16   0.338 -10.657  -0.395
  110   2HB   CYS  16           HB1      CYS  16   1.044  -9.063  -0.153
  111    H    THR  17           HN       THR  17   4.025  -8.787  -1.549
  112    HA   THR  17           HA       THR  17   5.938 -10.561  -0.641
  113    HB   THR  17           HB       THR  17   6.931  -8.637   0.632
  114    HG1  THR  17           HG1      THR  17   4.993  -7.716   1.340
  115   1HG2  THR  17          HG21      THR  17   7.156  -8.935  -1.871
  116   2HG2  THR  17          HG23      THR  17   5.824  -7.793  -2.056
  117   3HG2  THR  17          HG22      THR  17   7.334  -7.273  -1.309
  118    H    LEU  18           HN       LEU  18   6.695 -11.063   1.591
  119    HA   LEU  18           HA       LEU  18   4.365 -11.613   3.320
  120   1HB   LEU  18           HB2      LEU  18   7.280 -12.431   3.594
  121   2HB   LEU  18           HB1      LEU  18   5.963 -12.993   4.624
  122    HG   LEU  18           HG       LEU  18   5.084 -13.428   1.985
  123   1HD1  LEU  18          HD11      LEU  18   8.008 -13.642   2.249
  124   2HD1  LEU  18          HD13      LEU  18   7.240 -15.106   1.634
  125   3HD1  LEU  18          HD12      LEU  18   7.013 -13.572   0.795
  126   1HD2  LEU  18          HD21      LEU  18   6.052 -15.102   4.283
  127   2HD2  LEU  18          HD23      LEU  18   4.433 -14.986   3.594
  128   3HD2  LEU  18          HD22      LEU  18   5.689 -15.886   2.744
  129    H    GLU  19           HN       GLU  19   7.215  -9.569   3.223
  130    HA   GLU  19           HA       GLU  19   7.571  -8.808   5.868
  131   1HB   GLU  19           HB2      GLU  19   7.482  -7.069   3.387
  132   2HB   GLU  19           HB1      GLU  19   8.021  -6.481   4.960
  133   1HG   GLU  19           HG2      GLU  19  10.045  -7.415   4.676
  134   2HG   GLU  19           HG1      GLU  19   9.315  -8.989   4.357
  135    H    TYR  20           HN       TYR  20   6.185  -8.061   7.403
  136    HA   TYR  20           HA       TYR  20   3.472  -7.285   6.618
  137   1HB   TYR  20           HB2      TYR  20   3.947  -8.676   8.653
  138   2HB   TYR  20           HB1      TYR  20   4.718  -7.266   9.381
  139    HD1  TYR  20           HD2      TYR  20   1.696  -7.354   7.191
  140    HD2  TYR  20           HD1      TYR  20   3.233  -6.705  11.152
  141    HE1  TYR  20           HE2      TYR  20  -0.518  -6.512   7.912
  142    HE2  TYR  20           HE1      TYR  20   1.012  -5.867  11.873
  143    HH   TYR  20           HH       TYR  20  -1.013  -5.167  11.148
  144    H    ARG  21           HN       ARG  21   3.896  -5.317   5.470
  145    HA   ARG  21           HA       ARG  21   4.817  -3.047   7.189
  146   1HB   ARG  21           HB2      ARG  21   4.559  -2.984   4.176
  147   2HB   ARG  21           HB1      ARG  21   5.506  -1.917   5.215
  148   1HG   ARG  21           HG2      ARG  21   6.505  -4.430   5.825
  149   2HG   ARG  21           HG1      ARG  21   6.217  -4.527   4.088
  150   1HD   ARG  21           HD2      ARG  21   8.212  -3.475   3.872
  151   2HD   ARG  21           HD1      ARG  21   7.346  -2.020   4.371
  152    HE   ARG  21           HE       ARG  21   8.670  -3.785   6.388
  153   1HH1  ARG  21          HH11      ARG  21   7.054  -0.969   6.355
  154   2HH1  ARG  21          HH12      ARG  21   8.348   0.045   6.897
  155   1HH2  ARG  21          HH21      ARG  21  10.787  -2.383   6.461
  156   2HH2  ARG  21          HH22      ARG  21  10.462  -0.756   6.961
  157    HA   PRO  22           HA       PRO  22   0.282  -2.611   6.800
  158   1HB   PRO  22           HB2      PRO  22   0.046  -1.343   9.250
  159   2HB   PRO  22           HB1      PRO  22  -0.032  -3.110   9.019
  160   1HG   PRO  22           HG2      PRO  22   2.232  -1.430  10.041
  161   2HG   PRO  22           HG1      PRO  22   1.789  -3.092  10.466
  162   1HD   PRO  22           HD2      PRO  22   3.875  -2.436   8.749
  163   2HD   PRO  22           HD1      PRO  22   3.028  -3.997   8.738
  164    H    LEU  23           HN       LEU  23   0.041  -0.964   5.261
  165    HA   LEU  23           HA       LEU  23   1.053   1.722   6.091
  166   1HB   LEU  23           HB2      LEU  23  -0.022   1.107   3.359
  167   2HB   LEU  23           HB1      LEU  23   1.203   2.283   3.834
  168    HG   LEU  23           HG       LEU  23   1.735  -0.641   4.259
  169   1HD1  LEU  23          HD13      LEU  23   1.569   0.824   1.684
  170   2HD1  LEU  23          HD12      LEU  23   2.930  -0.274   1.914
  171   3HD1  LEU  23          HD11      LEU  23   1.277  -0.878   2.035
  172   1HD2  LEU  23          HD23      LEU  23   3.290   1.907   3.941
  173   2HD2  LEU  23          HD22      LEU  23   3.452   0.649   5.168
  174   3HD2  LEU  23          HD21      LEU  23   4.056   0.372   3.534
  175    H    CYS  24           HN       CYS  24  -0.437   3.130   6.854
  176    HA   CYS  24           HA       CYS  24  -3.291   2.491   6.692
  177   1HB   CYS  24           HB2      CYS  24  -2.685   3.626   8.700
  178   2HB   CYS  24           HB1      CYS  24  -1.664   4.754   7.838
  179    H    GLY  25           HN       GLY  25  -4.441   2.989   4.838
  180   1HA   GLY  25           HA2      GLY  25  -3.310   4.534   2.760
  181   2HA   GLY  25           HA1      GLY  25  -5.011   4.199   2.885
  182    H    SER  26           HN       SER  26  -5.336   6.497   2.174
  183    HA   SER  26           HA       SER  26  -4.632   8.510   4.242
  184   1HB   SER  26           HB2      SER  26  -5.910  10.032   2.567
  185   2HB   SER  26           HB1      SER  26  -4.352   9.390   2.058
  186    HG   SER  26           HG       SER  26  -5.868   9.045   0.439
  187    H    ASP  27           HN       ASP  27  -7.161   6.364   3.520
  188    HA   ASP  27           HA       ASP  27  -9.178   8.071   4.897
  189   1HB   ASP  27           HB2      ASP  27 -10.849   6.573   4.002
  190   2HB   ASP  27           HB1      ASP  27  -9.752   6.995   2.685
  191    H    ASN  28           HN       ASN  28  -6.870   6.440   6.111
  192    HA   ASN  28           HA       ASN  28  -6.614   5.308   8.157
  193   1HB   ASN  28           HB2      ASN  28  -9.632   5.287   8.371
  194   2HB   ASN  28           HB1      ASN  28  -8.453   5.209   9.678
  195   1HD2  ASN  28          HD22      ASN  28  -8.377   8.705  10.021
  196   2HD2  ASN  28          HD21      ASN  28  -8.142   7.178  10.724
  197    H    LYS  29           HN       LYS  29  -7.094   3.965   5.516
  198    HA   LYS  29           HA       LYS  29  -8.365   1.427   6.415
  199   1HB   LYS  29           HB2      LYS  29  -8.608   2.768   4.045
  200   2HB   LYS  29           HB1      LYS  29  -7.334   1.612   3.653
  201   1HG   LYS  29           HG2      LYS  29  -9.714   0.602   5.148
  202   2HG   LYS  29           HG1      LYS  29  -9.911   0.961   3.434
  203   1HD   LYS  29           HD2      LYS  29  -8.843  -0.939   2.875
  204   2HD   LYS  29           HD1      LYS  29  -7.436  -0.454   3.826
  205   1HE   LYS  29           HE2      LYS  29  -8.040  -2.374   4.971
  206   2HE   LYS  29           HE1      LYS  29  -8.992  -1.181   5.856
  207   1HZ   LYS  29           HZ1      LYS  29 -10.284  -2.209   3.494
  208   2HZ   LYS  29           HZ3      LYS  29  -9.994  -3.387   4.679
  209   3HZ   LYS  29           HZ2      LYS  29 -10.896  -2.000   5.065
  210    H    THR  30           HN       THR  30  -6.717   0.519   7.689
  211    HA   THR  30           HA       THR  30  -3.948   0.507   6.997
  212    HB   THR  30           HB       THR  30  -5.592  -1.328   8.755
  213    HG1  THR  30           HG1      THR  30  -4.525  -0.140  10.365
  214   1HG2  THR  30          HG21      THR  30  -2.726  -1.440   7.930
  215   2HG2  THR  30          HG23      THR  30  -3.101  -1.766   9.622
  216   3HG2  THR  30          HG22      THR  30  -3.825  -2.754   8.353
  217    H    TYR  31           HN       TYR  31  -2.784  -0.784   5.666
  218    HA   TYR  31           HA       TYR  31  -4.213  -3.023   4.286
  219   1HB   TYR  31           HB2      TYR  31  -2.001  -1.167   3.387
  220   2HB   TYR  31           HB1      TYR  31  -2.401  -2.642   2.514
  221    HD1  TYR  31           HD1      TYR  31  -3.757   0.605   3.713
  222    HD2  TYR  31           HD2      TYR  31  -4.355  -2.778   1.135
  223    HE1  TYR  31           HE1      TYR  31  -5.657   1.770   2.626
  224    HE2  TYR  31           HE2      TYR  31  -6.253  -1.609   0.046
  225    HH   TYR  31           HH       TYR  31  -6.772   1.502   0.105
  226    H    GLY  32           HN       GLY  32  -3.452  -5.024   4.737
  227   1HA   GLY  32           HA2      GLY  32  -1.830  -5.797   6.735
  228   2HA   GLY  32           HA1      GLY  32  -1.844  -6.714   5.238
  229    H    ASN  33           HN       ASN  33  -0.447  -5.466   3.453
  230    HA   ASN  33           HA       ASN  33   1.966  -4.323   4.721
  231   1HB   ASN  33           HB2      ASN  33   3.487  -5.780   3.474
  232   2HB   ASN  33           HB1      ASN  33   2.456  -6.715   4.523
  233   1HD2  ASN  33          HD22      ASN  33   2.294  -8.563   1.392
  234   2HD2  ASN  33          HD21      ASN  33   3.344  -8.335   2.703
  235    H    LYS  34           HN       LYS  34   3.539  -4.297   2.411
  236    HA   LYS  34           HA       LYS  34   2.536  -1.971   1.129
  237   1HB   LYS  34           HB2      LYS  34   4.560  -2.063  -0.079
  238   2HB   LYS  34           HB1      LYS  34   4.949  -2.817   1.453
  239   1HG   LYS  34           HG2      LYS  34   4.619  -5.045   0.458
  240   2HG   LYS  34           HG1      LYS  34   4.202  -4.298  -1.086
  241   1HD   LYS  34           HD2      LYS  34   6.738  -3.313   0.005
  242   2HD   LYS  34           HD1      LYS  34   6.753  -5.048  -0.317
  243   1HE   LYS  34           HE2      LYS  34   7.281  -4.344  -2.433
  244   2HE   LYS  34           HE1      LYS  34   5.530  -4.189  -2.567
  245   1HZ   LYS  34           HZ1      LYS  34   6.677  -1.889  -1.357
  246   2HZ   LYS  34           HZ3      LYS  34   7.390  -2.188  -2.867
  247   3HZ   LYS  34           HZ2      LYS  34   5.705  -2.002  -2.746
  248    H    CYS  35           HN       CYS  35   2.386  -5.406   0.223
  249    HA   CYS  35           HA       CYS  35   1.545  -4.863  -2.480
  250   1HB   CYS  35           HB2      CYS  35   2.495  -7.025  -2.014
  251   2HB   CYS  35           HB1      CYS  35   1.318  -7.324  -0.737
  252    H    ASN  36           HN       ASN  36  -0.072  -5.070   0.599
  253    HA   ASN  36           HA       ASN  36  -2.743  -5.314  -0.579
  254   1HB   ASN  36           HB2      ASN  36  -1.650  -4.908   2.187
  255   2HB   ASN  36           HB1      ASN  36  -3.348  -4.559   1.876
  256   1HD2  ASN  36          HD22      ASN  36  -2.039  -8.452   1.609
  257   2HD2  ASN  36          HD21      ASN  36  -0.913  -7.192   1.500
  258    H    PHE  37           HN       PHE  37  -0.758  -2.726   0.855
  259    HA   PHE  37           HA       PHE  37  -2.695  -0.615   0.563
  260   1HB   PHE  37           HB2      PHE  37  -0.534  -0.440   1.861
  261   2HB   PHE  37           HB1      PHE  37   0.312  -0.349   0.431
  262    HD1  PHE  37           HD1      PHE  37  -2.865   1.263   1.520
  263    HD2  PHE  37           HD2      PHE  37   1.034   1.638  -0.169
  264    HE1  PHE  37           HE1      PHE  37  -3.304   3.663   1.086
  265    HE2  PHE  37           HE2      PHE  37   0.622   4.037  -0.625
  266    HZ   PHE  37           HZ       PHE  37  -1.556   5.065   0.008
  267    H    CYS  38           HN       CYS  38  -0.212  -1.950  -1.392
  268    HA   CYS  38           HA       CYS  38  -0.357   0.015  -3.510
  269   1HB   CYS  38           HB2      CYS  38   0.898  -2.706  -3.236
  270   2HB   CYS  38           HB1      CYS  38   0.790  -1.947  -4.819
  271    H    ASN  39           HN       ASN  39  -1.737  -3.259  -3.121
  272    HA   ASN  39           HA       ASN  39  -2.960  -3.488  -5.643
  273   1HB   ASN  39           HB2      ASN  39  -3.766  -4.420  -2.889
  274   2HB   ASN  39           HB1      ASN  39  -4.847  -4.675  -4.259
  275   1HD2  ASN  39          HD22      ASN  39  -2.395  -7.565  -3.882
  276   2HD2  ASN  39          HD21      ASN  39  -3.408  -6.791  -2.761
  277    H    ALA  40           HN       ALA  40  -4.223  -1.979  -2.676
  278    HA   ALA  40           HA       ALA  40  -6.654  -0.976  -3.733
  279   1HB   ALA  40           HB3      ALA  40  -5.080  -0.668  -1.349
  280   2HB   ALA  40           HB2      ALA  40  -5.639   0.917  -1.879
  281   3HB   ALA  40           HB1      ALA  40  -6.804  -0.370  -1.573
  282    H    VAL  41           HN       VAL  41  -3.359   0.296  -3.894
  283    HA   VAL  41           HA       VAL  41  -4.093   2.905  -4.895
  284    HB   VAL  41           HB       VAL  41  -1.513   1.328  -5.093
  285   1HG1  VAL  41          HG12      VAL  41  -2.261   4.114  -5.961
  286   2HG1  VAL  41          HG11      VAL  41  -0.607   3.738  -5.476
  287   3HG1  VAL  41          HG13      VAL  41  -1.340   2.894  -6.840
  288   1HG2  VAL  41          HG21      VAL  41  -2.786   2.996  -3.045
  289   2HG2  VAL  41          HG23      VAL  41  -1.430   1.879  -2.897
  290   3HG2  VAL  41          HG22      VAL  41  -1.154   3.531  -3.449
  291    H    VAL  42           HN       VAL  42  -3.278  -0.173  -6.452
  292    HA   VAL  42           HA       VAL  42  -3.437   1.035  -9.110
  293    HB   VAL  42           HB       VAL  42  -1.718  -0.630  -8.648
  294   1HG1  VAL  42          HG11      VAL  42  -4.070  -2.170  -7.657
  295   2HG1  VAL  42          HG13      VAL  42  -2.778  -3.075  -8.443
  296   3HG1  VAL  42          HG12      VAL  42  -2.428  -2.093  -7.022
  297   1HG2  VAL  42          HG23      VAL  42  -3.558  -0.685 -10.764
  298   2HG2  VAL  42          HG22      VAL  42  -1.923  -1.347 -10.755
  299   3HG2  VAL  42          HG21      VAL  42  -3.292  -2.371 -10.320
  300    H    GLU  43           HN       GLU  43  -5.662  -0.384  -6.920
  301    HA   GLU  43           HA       GLU  43  -7.415  -1.387  -9.059
  302   1HB   GLU  43           HB2      GLU  43  -8.894  -1.866  -7.043
  303   2HB   GLU  43           HB1      GLU  43  -7.431  -2.793  -7.112
  304   1HG   GLU  43           HG2      GLU  43  -6.819  -1.967  -5.155
  305   2HG   GLU  43           HG1      GLU  43  -6.972  -0.318  -5.760
  306    H    SER  44           HN       SER  44  -6.785   1.464  -7.306
  307    HA   SER  44           HA       SER  44  -9.535   2.508  -7.827
  308   1HB   SER  44           HB2      SER  44  -9.274   3.895  -6.008
  309   2HB   SER  44           HB1      SER  44  -8.169   2.615  -5.518
  310    HG   SER  44           HG       SER  44  -6.517   3.888  -5.905
  311    H    ASN  45           HN       ASN  45  -7.118   2.233  -9.737
  312    HA   ASN  45           HA       ASN  45  -6.408   3.513 -11.585
  313   1HB   ASN  45           HB2      ASN  45  -8.789   4.812 -10.715
  314   2HB   ASN  45           HB1      ASN  45  -7.576   6.062 -10.962
  315   1HD2  ASN  45          HD22      ASN  45  -9.272   4.342 -14.164
  316   2HD2  ASN  45          HD21      ASN  45  -9.845   4.117 -12.582
  317    H    GLY  46           HN       GLY  46  -5.509   3.742  -8.562
  318   1HA   GLY  46           HA2      GLY  46  -3.599   4.654  -7.571
  319   2HA   GLY  46           HA1      GLY  46  -3.218   5.443  -9.094
  320    H    THR  47           HN       THR  47  -6.375   5.939  -7.770
  321    HA   THR  47           HA       THR  47  -5.731   8.787  -7.339
  322    HB   THR  47           HB       THR  47  -7.839   7.928  -8.529
  323    HG1  THR  47           HG1      THR  47  -8.245   9.922  -8.062
  324   1HG2  THR  47          HG21      THR  47  -8.310   6.153  -6.824
  325   2HG2  THR  47          HG23      THR  47  -8.710   7.426  -5.670
  326   3HG2  THR  47          HG22      THR  47  -9.687   7.215  -7.124
  327    H    LEU  48           HN       LEU  48  -5.719   5.960  -5.522
  328    HA   LEU  48           HA       LEU  48  -6.674   7.094  -3.020
  329   1HB   LEU  48           HB2      LEU  48  -7.048   4.793  -3.135
  330   2HB   LEU  48           HB1      LEU  48  -5.522   4.482  -3.953
  331    HG   LEU  48           HG       LEU  48  -4.465   5.296  -1.672
  332   1HD1  LEU  48          HD12      LEU  48  -6.992   5.802  -1.006
  333   2HD1  LEU  48          HD11      LEU  48  -6.928   4.111  -0.510
  334   3HD1  LEU  48          HD13      LEU  48  -5.802   5.278   0.185
  335   1HD2  LEU  48          HD23      LEU  48  -4.890   2.861  -2.816
  336   2HD2  LEU  48          HD22      LEU  48  -4.045   3.093  -1.285
  337   3HD2  LEU  48          HD21      LEU  48  -5.758   2.669  -1.293
  338    H    THR  49           HN       THR  49  -5.429   8.086  -1.523
  339    HA   THR  49           HA       THR  49  -2.461   8.010  -1.898
  340    HB   THR  49           HB       THR  49  -2.312  10.264  -1.370
  341    HG1  THR  49           HG1      THR  49  -3.136  10.638   0.516
  342   1HG2  THR  49          HG22      THR  49  -3.835  10.027  -3.352
  343   2HG2  THR  49          HG21      THR  49  -5.208  10.178  -2.256
  344   3HG2  THR  49          HG23      THR  49  -4.081  11.522  -2.449
  345    H    LEU  50           HN       LEU  50  -1.360   8.289   0.411
  346    HA   LEU  50           HA       LEU  50  -3.050   6.695   2.242
  347   1HB   LEU  50           HB2      LEU  50  -1.277   5.356   2.592
  348   2HB   LEU  50           HB1      LEU  50  -0.581   6.127   1.184
  349    HG   LEU  50           HG       LEU  50  -0.058   7.678   3.604
  350   1HD1  LEU  50          HD12      LEU  50   0.745   4.775   3.435
  351   2HD1  LEU  50          HD11      LEU  50   1.531   5.947   4.495
  352   3HD1  LEU  50          HD13      LEU  50  -0.172   5.553   4.726
  353   1HD2  LEU  50          HD23      LEU  50   1.487   6.389   1.359
  354   2HD2  LEU  50          HD22      LEU  50   1.274   8.107   1.697
  355   3HD2  LEU  50          HD21      LEU  50   2.321   7.130   2.725
  356    H    SER  51           HN       SER  51  -1.883   7.051   4.682
  357    HA   SER  51           HA       SER  51  -1.987  10.000   5.079
  358   1HB   SER  51           HB2      SER  51  -3.754   7.980   6.157
  359   2HB   SER  51           HB1      SER  51  -2.847   8.692   7.428
  360    HG   SER  51           HG       SER  51  -4.403  10.024   5.495
  361    H    HIS  52           HN       HIS  52  -0.607   6.889   6.020
  362    HA   HIS  52           HA       HIS  52   1.859   8.066   6.827
  363   1HB   HIS  52           HB2      HIS  52   1.767   8.019   9.214
  364   2HB   HIS  52           HB1      HIS  52   0.334   8.899   8.687
  365    HD1  HIS  52           HD1      HIS  52   1.272   6.288  10.924
  366    HD2  HIS  52           HD2      HIS  52  -1.977   6.865   8.374
  367    HE1  HIS  52           HE1      HIS  52  -0.564   4.741  11.737
  368    H    PHE  53           HN       PHE  53   3.379   6.491   6.911
  369    HA   PHE  53           HA       PHE  53   2.769   3.786   6.283
  370   1HB   PHE  53           HB2      PHE  53   5.225   5.129   7.418
  371   2HB   PHE  53           HB1      PHE  53   5.178   3.393   7.117
  372    HD1  PHE  53           HD2      PHE  53   4.855   6.733   5.521
  373    HD2  PHE  53           HD1      PHE  53   5.326   2.509   4.906
  374    HE1  PHE  53           HE2      PHE  53   5.346   7.136   3.126
  375    HE2  PHE  53           HE1      PHE  53   5.821   2.912   2.510
  376    HZ   PHE  53           HZ       PHE  53   5.835   5.230   1.622
  377    H    GLY  54           HN       GLY  54   1.958   2.223   7.591
  378   1HA   GLY  54           HA2      GLY  54   2.576   1.023   9.781
  379   2HA   GLY  54           HA1      GLY  54   2.162   2.546  10.519
  380    H    LYS  55           HN       LYS  55   0.650   0.776  11.492
  381    HA   LYS  55           HA       LYS  55  -1.780   0.384   9.865
  382   1HB   LYS  55           HB2      LYS  55  -2.420  -0.478  12.420
  383   2HB   LYS  55           HB1      LYS  55  -1.834  -1.507  11.117
  384   1HG   LYS  55           HG2      LYS  55   0.443  -1.304  11.885
  385   2HG   LYS  55           HG1      LYS  55  -0.007  -0.058  13.052
  386   1HD   LYS  55           HD2      LYS  55  -0.238  -1.735  14.548
  387   2HD   LYS  55           HD1      LYS  55  -1.705  -2.170  13.672
  388   1HE   LYS  55           HE2      LYS  55  -0.474  -4.175  13.667
  389   2HE   LYS  55           HE1      LYS  55  -0.101  -3.475  12.092
  390   1HZ   LYS  55           HZ2      LYS  55   1.579  -2.904  14.451
  391   2HZ   LYS  55           HZ1      LYS  55   1.825  -4.305  13.524
  392   3HZ   LYS  55           HZ3      LYS  55   1.978  -2.778  12.804
  393    H    CYS  56           HN       CYS  56  -3.172   2.061   9.767
  394    HA   CYS  56           HA       CYS  56  -3.142   4.362  11.364
  395   1HB   CYS  56           HB2      CYS  56  -4.852   3.240   9.355
  396   2HB   CYS  56           HB1      CYS  56  -5.857   3.869  10.661
   
  No H/Q in entry =         396
  Start of MODEL           4
 Raw file had  401 H/Q atoms
  Start of MODEL    4
    1   1H    LEU   1           HT3      LEU   1  16.180  13.158   0.993
    2   2H    LEU   1           HT2      LEU   1  16.483  14.326  -0.203
    3   3H    LEU   1           HT1      LEU   1  15.675  14.760   1.227
    4    HA   LEU   1           HA       LEU   1  14.037  14.603  -0.461
    5   1HB   LEU   1           HB2      LEU   1  15.787  12.538  -1.399
    6   2HB   LEU   1           HB1      LEU   1  14.185  11.840  -1.162
    7    HG   LEU   1           HG       LEU   1  14.096  14.490  -2.409
    8   1HD1  LEU   1          HD11      LEU   1  15.784  12.305  -3.570
    9   2HD1  LEU   1          HD13      LEU   1  14.796  13.276  -4.661
   10   3HD1  LEU   1          HD12      LEU   1  16.010  14.052  -3.644
   11   1HD2  LEU   1          HD22      LEU   1  12.959  11.737  -2.866
   12   2HD2  LEU   1          HD21      LEU   1  12.109  13.229  -2.468
   13   3HD2  LEU   1          HD23      LEU   1  12.765  12.993  -4.088
   14    H    ALA   2           HN       ALA   2  12.340  12.395  -0.520
   15    HA   ALA   2           HA       ALA   2  12.109  10.873   1.843
   16   1HB   ALA   2           HB3      ALA   2  11.368  13.702   2.147
   17   2HB   ALA   2           HB2      ALA   2  10.094  12.584   2.636
   18   3HB   ALA   2           HB1      ALA   2  11.688  12.486   3.384
   19    H    ALA   3           HN       ALA   3   9.484  12.974   0.737
   20    HA   ALA   3           HA       ALA   3   7.604  12.495  -0.596
   21   1HB   ALA   3           HB3      ALA   3   9.674  10.827  -1.659
   22   2HB   ALA   3           HB2      ALA   3   8.187   9.883  -1.583
   23   3HB   ALA   3           HB1      ALA   3   8.218  11.408  -2.467
   24    H    VAL   4           HN       VAL   4   5.653  11.339  -0.248
   25    HA   VAL   4           HA       VAL   4   5.809   9.161   1.793
   26    HB   VAL   4           HB       VAL   4   3.525  10.135   2.565
   27   1HG1  VAL   4          HG12      VAL   4   6.284  10.890   3.184
   28   2HG1  VAL   4          HG11      VAL   4   5.126  12.147   3.617
   29   3HG1  VAL   4          HG13      VAL   4   4.952  10.521   4.278
   30   1HG2  VAL   4          HG21      VAL   4   3.970  11.839   0.441
   31   2HG2  VAL   4          HG23      VAL   4   2.858  12.156   1.773
   32   3HG2  VAL   4          HG22      VAL   4   4.495  12.808   1.818
   33    H    SER   5           HN       SER   5   5.705   7.883  -0.309
   34    HA   SER   5           HA       SER   5   2.958   7.042  -0.761
   35   1HB   SER   5           HB2      SER   5   3.194   7.451  -3.307
   36   2HB   SER   5           HB1      SER   5   2.774   8.829  -2.294
   37    HG   SER   5           HG       SER   5   5.064   8.291  -3.729
   38    H    VAL   6           HN       VAL   6   2.938   4.929  -1.474
   39    HA   VAL   6           HA       VAL   6   5.535   3.582  -1.708
   40    HB   VAL   6           HB       VAL   6   2.786   2.362  -2.038
   41   1HG1  VAL   6          HG11      VAL   6   5.565   1.390  -1.726
   42   2HG1  VAL   6          HG13      VAL   6   4.365   0.565  -0.732
   43   3HG1  VAL   6          HG12      VAL   6   4.178   0.608  -2.485
   44   1HG2  VAL   6          HG23      VAL   6   3.217   3.797   0.102
   45   2HG2  VAL   6          HG22      VAL   6   2.580   2.164   0.295
   46   3HG2  VAL   6          HG21      VAL   6   4.293   2.480   0.567
   47    H    ASP   7           HN       ASP   7   6.051   2.177  -3.561
   48    HA   ASP   7           HA       ASP   7   5.435   3.471  -6.101
   49   1HB   ASP   7           HB2      ASP   7   7.599   2.133  -5.291
   50   2HB   ASP   7           HB1      ASP   7   6.722   0.772  -5.991
   51    H    CYS   8           HN       CYS   8   4.329   2.419  -7.898
   52    HA   CYS   8           HA       CYS   8   2.781  -0.007  -7.213
   53   1HB   CYS   8           HB2      CYS   8   1.620   2.699  -7.709
   54   2HB   CYS   8           HB1      CYS   8   0.743   1.278  -8.278
   55    H    SER   9           HN       SER   9   4.950   0.524  -9.105
   56    HA   SER   9           HA       SER   9   3.600   0.501 -11.730
   57   1HB   SER   9           HB2      SER   9   5.622   1.765 -11.754
   58   2HB   SER   9           HB1      SER   9   6.496   0.517 -10.872
   59    HG   SER   9           HG       SER   9   6.361   0.812 -13.456
   60    H    GLU  10           HN       GLU  10   4.297  -1.663  -9.363
   61    HA   GLU  10           HA       GLU  10   4.489  -3.942 -11.287
   62   1HB   GLU  10           HB2      GLU  10   5.236  -4.305  -8.423
   63   2HB   GLU  10           HB1      GLU  10   5.941  -5.039  -9.862
   64   1HG   GLU  10           HG2      GLU  10   6.417  -2.267  -8.755
   65   2HG   GLU  10           HG1      GLU  10   7.602  -3.541  -9.043
   66    H    TYR  11           HN       TYR  11   2.039  -2.612 -10.361
   67    HA   TYR  11           HA       TYR  11   0.809  -4.898  -8.918
   68   1HB   TYR  11           HB2      TYR  11   0.540  -1.928  -8.433
   69   2HB   TYR  11           HB1      TYR  11  -0.677  -3.060  -7.856
   70    HD1  TYR  11           HD1      TYR  11  -0.066  -4.816  -6.169
   71    HD2  TYR  11           HD2      TYR  11   2.727  -1.832  -7.478
   72    HE1  TYR  11           HE1      TYR  11   1.425  -5.359  -4.249
   73    HE2  TYR  11           HE2      TYR  11   4.211  -2.374  -5.571
   74    HH   TYR  11           HH       TYR  11   4.584  -4.484  -4.085
   75    HA   PRO  12           HA       PRO  12  -1.230  -4.749  -8.054
   76   1HB   PRO  12           HB2      PRO  12  -3.455  -6.332  -8.369
   77   2HB   PRO  12           HB1      PRO  12  -3.533  -4.580  -8.122
   78   1HG   PRO  12           HG2      PRO  12  -4.080  -6.128 -10.583
   79   2HG   PRO  12           HG1      PRO  12  -4.547  -4.467 -10.183
   80   1HD   PRO  12           HD2      PRO  12  -2.352  -5.334 -11.830
   81   2HD   PRO  12           HD1      PRO  12  -2.824  -3.683 -11.501
   82    H    LYS  13           HN       LYS  13  -0.457  -6.631  -7.085
   83    HA   LYS  13           HA       LYS  13   0.387  -8.799  -8.938
   84   1HB   LYS  13           HB2      LYS  13   1.270  -8.961  -6.137
   85   2HB   LYS  13           HB1      LYS  13   2.206  -9.068  -7.626
   86   1HG   LYS  13           HG2      LYS  13   1.596  -6.453  -7.715
   87   2HG   LYS  13           HG1      LYS  13   1.566  -6.687  -5.967
   88   1HD   LYS  13           HD2      LYS  13   3.856  -7.260  -7.862
   89   2HD   LYS  13           HD1      LYS  13   3.819  -6.087  -6.543
   90   1HE   LYS  13           HE2      LYS  13   4.689  -7.689  -5.218
   91   2HE   LYS  13           HE1      LYS  13   3.141  -8.524  -5.341
   92   1HZ   LYS  13           HZ3      LYS  13   5.132  -8.829  -7.484
   93   2HZ   LYS  13           HZ2      LYS  13   5.306  -9.722  -6.049
   94   3HZ   LYS  13           HZ1      LYS  13   3.907  -9.897  -6.996
   95    HA   PRO  14           HA       PRO  14  -2.692 -11.479  -7.310
   96   1HB   PRO  14           HB2      PRO  14  -1.548 -13.877  -8.005
   97   2HB   PRO  14           HB1      PRO  14  -2.341 -12.791  -9.160
   98   1HG   PRO  14           HG2      PRO  14   0.571 -13.283  -8.732
   99   2HG   PRO  14           HG1      PRO  14  -0.278 -12.782 -10.203
  100   1HD   PRO  14           HD2      PRO  14   1.203 -11.092  -8.535
  101   2HD   PRO  14           HD1      PRO  14   0.042 -10.563  -9.725
  102    H    ALA  15           HN       ALA  15   0.003 -10.887  -5.683
  103    HA   ALA  15           HA       ALA  15  -0.626 -11.944  -3.229
  104   1HB   ALA  15           HB2      ALA  15   0.245 -14.071  -5.042
  105   2HB   ALA  15           HB1      ALA  15   1.207 -14.005  -3.565
  106   3HB   ALA  15           HB3      ALA  15  -0.544 -14.194  -3.470
  107    H    CYS  16           HN       CYS  16   1.033 -11.536  -1.688
  108    HA   CYS  16           HA       CYS  16   3.627 -10.620  -2.862
  109   1HB   CYS  16           HB2      CYS  16   1.823  -8.916  -1.720
  110   2HB   CYS  16           HB1      CYS  16   2.768  -9.386  -0.307
  111    H    THR  17           HN       THR  17   5.307 -10.423  -0.956
  112    HA   THR  17           HA       THR  17   5.701 -13.045   0.124
  113    HB   THR  17           HB       THR  17   7.545 -12.020   1.397
  114    HG1  THR  17           HG1      THR  17   6.058  -9.740   0.822
  115   1HG2  THR  17          HG21      THR  17   7.840 -12.456  -1.025
  116   2HG2  THR  17          HG23      THR  17   7.275 -10.822  -1.375
  117   3HG2  THR  17          HG22      THR  17   8.782 -11.063  -0.491
  118    H    LEU  18           HN       LEU  18   6.427 -11.768   2.885
  119    HA   LEU  18           HA       LEU  18   3.652 -11.499   3.908
  120   1HB   LEU  18           HB2      LEU  18   4.191 -13.069   5.769
  121   2HB   LEU  18           HB1      LEU  18   4.196 -13.857   4.191
  122    HG   LEU  18           HG       LEU  18   6.792 -12.713   5.020
  123   1HD1  LEU  18          HD13      LEU  18   5.279 -14.413   6.819
  124   2HD1  LEU  18          HD12      LEU  18   6.742 -15.232   6.273
  125   3HD1  LEU  18          HD11      LEU  18   6.854 -13.660   7.066
  126   1HD2  LEU  18          HD22      LEU  18   5.899 -15.412   3.952
  127   2HD2  LEU  18          HD21      LEU  18   6.482 -14.062   2.977
  128   3HD2  LEU  18          HD23      LEU  18   7.573 -14.876   4.099
  129    H    GLU  19           HN       GLU  19   6.464  -9.995   3.676
  130    HA   GLU  19           HA       GLU  19   7.319  -9.348   6.290
  131   1HB   GLU  19           HB2      GLU  19   7.055  -7.280   4.096
  132   2HB   GLU  19           HB1      GLU  19   8.262  -7.354   5.380
  133   1HG   GLU  19           HG2      GLU  19   8.008  -9.140   2.963
  134   2HG   GLU  19           HG1      GLU  19   9.376  -8.130   3.424
  135    H    TYR  20           HN       TYR  20   6.799  -6.781   6.995
  136    HA   TYR  20           HA       TYR  20   3.845  -6.537   6.859
  137   1HB   TYR  20           HB2      TYR  20   4.680  -7.720   8.997
  138   2HB   TYR  20           HB1      TYR  20   5.250  -6.123   9.484
  139    HD1  TYR  20           HD2      TYR  20   2.205  -7.067   7.511
  140    HD2  TYR  20           HD1      TYR  20   3.752  -5.417  11.166
  141    HE1  TYR  20           HE2      TYR  20  -0.088  -6.432   8.186
  142    HE2  TYR  20           HE1      TYR  20   1.452  -4.784  11.847
  143    HH   TYR  20           HH       TYR  20  -0.947  -4.362  10.047
  144    H    ARG  21           HN       ARG  21   4.068  -4.760   5.514
  145    HA   ARG  21           HA       ARG  21   5.158  -2.297   6.823
  146   1HB   ARG  21           HB2      ARG  21   4.775  -2.814   3.851
  147   2HB   ARG  21           HB1      ARG  21   5.522  -1.392   4.582
  148   1HG   ARG  21           HG2      ARG  21   6.595  -4.176   5.060
  149   2HG   ARG  21           HG1      ARG  21   7.114  -3.202   3.683
  150   1HD   ARG  21           HD2      ARG  21   7.455  -2.602   6.625
  151   2HD   ARG  21           HD1      ARG  21   8.704  -2.734   5.386
  152    HE   ARG  21           HE       ARG  21   7.470  -0.624   4.402
  153   1HH1  ARG  21          HH11      ARG  21   5.644   0.078   6.463
  154   2HH1  ARG  21          HH12      ARG  21   6.567   1.027   7.579
  155   1HH2  ARG  21          HH21      ARG  21   9.632  -0.071   6.391
  156   2HH2  ARG  21          HH22      ARG  21   8.824   0.941   7.541
  157    HA   PRO  22           HA       PRO  22   0.539  -2.336   6.555
  158   1HB   PRO  22           HB2      PRO  22   0.226  -1.122   9.027
  159   2HB   PRO  22           HB1      PRO  22   0.279  -2.882   8.762
  160   1HG   PRO  22           HG2      PRO  22   2.430  -1.052   9.777
  161   2HG   PRO  22           HG1      PRO  22   2.104  -2.743  10.200
  162   1HD   PRO  22           HD2      PRO  22   4.128  -1.968   8.478
  163   2HD   PRO  22           HD1      PRO  22   3.344  -3.563   8.426
  164    H    LEU  23           HN       LEU  23   0.111  -0.729   5.037
  165    HA   LEU  23           HA       LEU  23   0.876   2.049   5.835
  166   1HB   LEU  23           HB2      LEU  23  -0.247   1.286   3.153
  167   2HB   LEU  23           HB1      LEU  23   0.835   2.617   3.563
  168    HG   LEU  23           HG       LEU  23   1.753  -0.211   3.979
  169   1HD1  LEU  23          HD11      LEU  23   1.176   1.136   1.424
  170   2HD1  LEU  23          HD13      LEU  23   2.778   0.410   1.547
  171   3HD1  LEU  23          HD12      LEU  23   1.338  -0.581   1.788
  172   1HD2  LEU  23          HD23      LEU  23   2.967   1.971   4.701
  173   2HD2  LEU  23          HD22      LEU  23   3.900   0.748   3.838
  174   3HD2  LEU  23          HD21      LEU  23   3.305   2.171   2.982
  175    H    CYS  24           HN       CYS  24  -0.755   3.111   6.873
  176    HA   CYS  24           HA       CYS  24  -3.540   2.257   6.482
  177   1HB   CYS  24           HB2      CYS  24  -2.163   4.324   8.185
  178   2HB   CYS  24           HB1      CYS  24  -3.879   4.458   7.908
  179    H    GLY  25           HN       GLY  25  -4.529   2.854   4.619
  180   1HA   GLY  25           HA2      GLY  25  -3.520   4.738   2.836
  181   2HA   GLY  25           HA1      GLY  25  -5.174   4.254   2.836
  182    H    SER  26           HN       SER  26  -5.606   6.542   2.249
  183    HA   SER  26           HA       SER  26  -5.299   8.460   4.484
  184   1HB   SER  26           HB2      SER  26  -4.997   9.028   1.972
  185   2HB   SER  26           HB1      SER  26  -6.757   8.990   1.893
  186    HG   SER  26           HG       SER  26  -6.845  10.644   3.352
  187    H    ASP  27           HN       ASP  27  -7.495   6.111   3.464
  188    HA   ASP  27           HA       ASP  27  -9.837   7.544   4.604
  189   1HB   ASP  27           HB2      ASP  27 -11.189   5.816   3.618
  190   2HB   ASP  27           HB1      ASP  27 -10.006   6.296   2.402
  191    H    ASN  28           HN       ASN  28  -7.342   5.734   5.725
  192    HA   ASN  28           HA       ASN  28  -7.056   4.905   7.919
  193   1HB   ASN  28           HB2      ASN  28  -9.240   6.151   8.465
  194   2HB   ASN  28           HB1      ASN  28 -10.051   4.614   8.161
  195   1HD2  ASN  28          HD22      ASN  28  -7.405   4.729  11.319
  196   2HD2  ASN  28          HD21      ASN  28  -7.077   5.662   9.940
  197    H    LYS  29           HN       LYS  29  -7.313   3.374   5.383
  198    HA   LYS  29           HA       LYS  29  -8.339   0.783   6.457
  199   1HB   LYS  29           HB2      LYS  29  -9.058   1.697   4.144
  200   2HB   LYS  29           HB1      LYS  29  -7.432   1.260   3.618
  201   1HG   LYS  29           HG2      LYS  29  -7.776  -1.051   4.209
  202   2HG   LYS  29           HG1      LYS  29  -9.309  -0.675   4.997
  203   1HD   LYS  29           HD2      LYS  29  -9.145   0.228   2.198
  204   2HD   LYS  29           HD1      LYS  29  -9.069  -1.524   2.396
  205   1HE   LYS  29           HE2      LYS  29 -11.179  -1.637   3.390
  206   2HE   LYS  29           HE1      LYS  29 -11.136   0.050   3.903
  207   1HZ   LYS  29           HZ3      LYS  29 -10.981   0.338   1.270
  208   2HZ   LYS  29           HZ2      LYS  29 -11.891  -1.095   1.342
  209   3HZ   LYS  29           HZ1      LYS  29 -12.453   0.311   2.114
  210    H    THR  30           HN       THR  30  -6.701  -0.208   7.567
  211    HA   THR  30           HA       THR  30  -3.909   0.212   6.890
  212    HB   THR  30           HB       THR  30  -5.231  -1.788   8.747
  213    HG1  THR  30           HG1      THR  30  -5.455   0.043   9.772
  214   1HG2  THR  30          HG21      THR  30  -2.511  -1.568   7.775
  215   2HG2  THR  30          HG23      THR  30  -2.571  -1.293   9.516
  216   3HG2  THR  30          HG22      THR  30  -3.216  -2.787   8.836
  217    H    TYR  31           HN       TYR  31  -2.860  -0.791   5.282
  218    HA   TYR  31           HA       TYR  31  -3.945  -3.352   4.216
  219   1HB   TYR  31           HB2      TYR  31  -2.120  -1.215   3.116
  220   2HB   TYR  31           HB1      TYR  31  -2.180  -2.817   2.380
  221    HD1  TYR  31           HD1      TYR  31  -4.169   0.201   3.206
  222    HD2  TYR  31           HD2      TYR  31  -4.105  -3.555   1.130
  223    HE1  TYR  31           HE1      TYR  31  -6.263   0.816   2.028
  224    HE2  TYR  31           HE2      TYR  31  -6.196  -2.944  -0.048
  225    HH   TYR  31           HH       TYR  31  -8.091  -1.464   0.232
  226    H    GLY  32           HN       GLY  32  -2.888  -5.213   4.708
  227   1HA   GLY  32           HA2      GLY  32  -1.105  -5.618   6.673
  228   2HA   GLY  32           HA1      GLY  32  -1.064  -6.641   5.250
  229    H    ASN  33           HN       ASN  33   0.075  -5.233   3.300
  230    HA   ASN  33           HA       ASN  33   2.388  -3.818   4.470
  231   1HB   ASN  33           HB2      ASN  33   4.019  -5.130   3.173
  232   2HB   ASN  33           HB1      ASN  33   3.158  -6.119   4.322
  233   1HD2  ASN  33          HD22      ASN  33   2.930  -8.223   1.414
  234   2HD2  ASN  33          HD21      ASN  33   3.928  -7.879   2.739
  235    H    LYS  34           HN       LYS  34   3.913  -3.595   2.220
  236    HA   LYS  34           HA       LYS  34   2.736  -1.410   0.919
  237   1HB   LYS  34           HB2      LYS  34   4.656  -1.896  -0.740
  238   2HB   LYS  34           HB1      LYS  34   5.079  -1.511   0.915
  239   1HG   LYS  34           HG2      LYS  34   5.741  -3.667   1.390
  240   2HG   LYS  34           HG1      LYS  34   4.603  -4.388   0.250
  241   1HD   LYS  34           HD2      LYS  34   6.754  -2.692  -0.918
  242   2HD   LYS  34           HD1      LYS  34   7.259  -4.237  -0.232
  243   1HE   LYS  34           HE2      LYS  34   5.277  -5.236  -1.582
  244   2HE   LYS  34           HE1      LYS  34   5.328  -3.723  -2.485
  245   1HZ   LYS  34           HZ2      LYS  34   7.711  -5.430  -2.054
  246   2HZ   LYS  34           HZ1      LYS  34   6.704  -5.573  -3.414
  247   3HZ   LYS  34           HZ3      LYS  34   7.547  -4.128  -3.133
  248    H    CYS  35           HN       CYS  35   2.830  -4.832  -0.058
  249    HA   CYS  35           HA       CYS  35   1.913  -4.420  -2.703
  250   1HB   CYS  35           HB2      CYS  35   2.069  -6.665  -0.775
  251   2HB   CYS  35           HB1      CYS  35   0.941  -6.847  -2.106
  252    H    ASN  36           HN       ASN  36   0.094  -5.609   0.113
  253    HA   ASN  36           HA       ASN  36  -2.463  -5.439  -0.999
  254   1HB   ASN  36           HB2      ASN  36  -1.548  -5.079   1.861
  255   2HB   ASN  36           HB1      ASN  36  -3.250  -5.188   1.399
  256   1HD2  ASN  36          HD22      ASN  36  -0.868  -8.522   1.105
  257   2HD2  ASN  36          HD21      ASN  36  -0.172  -6.994   1.327
  258    H    PHE  37           HN       PHE  37  -0.573  -2.804   0.522
  259    HA   PHE  37           HA       PHE  37  -2.717  -0.877   0.496
  260   1HB   PHE  37           HB2      PHE  37  -0.518  -0.543   1.639
  261   2HB   PHE  37           HB1      PHE  37   0.229  -0.274   0.183
  262    HD1  PHE  37           HD1      PHE  37  -2.932   0.951   1.752
  263    HD2  PHE  37           HD2      PHE  37   0.599   1.791  -0.494
  264    HE1  PHE  37           HE1      PHE  37  -3.642   3.329   1.546
  265    HE2  PHE  37           HE2      PHE  37  -0.088   4.161  -0.720
  266    HZ   PHE  37           HZ       PHE  37  -2.218   4.938   0.300
  267    H    CYS  38           HN       CYS  38  -0.237  -1.749  -1.763
  268    HA   CYS  38           HA       CYS  38  -1.004   0.281  -3.688
  269   1HB   CYS  38           HB2      CYS  38   1.271  -0.661  -3.750
  270   2HB   CYS  38           HB1      CYS  38   0.612  -2.234  -4.216
  271    H    ASN  39           HN       ASN  39  -2.207  -2.886  -2.945
  272    HA   ASN  39           HA       ASN  39  -3.398  -3.449  -5.509
  273   1HB   ASN  39           HB2      ASN  39  -4.252  -4.271  -2.706
  274   2HB   ASN  39           HB1      ASN  39  -4.922  -4.939  -4.196
  275   1HD2  ASN  39          HD22      ASN  39  -2.361  -7.396  -3.629
  276   2HD2  ASN  39          HD21      ASN  39  -4.002  -7.063  -3.353
  277    H    ALA  40           HN       ALA  40  -4.038  -1.253  -2.947
  278    HA   ALA  40           HA       ALA  40  -6.813  -0.716  -3.763
  279   1HB   ALA  40           HB1      ALA  40  -6.146  -0.524  -1.373
  280   2HB   ALA  40           HB3      ALA  40  -4.986   0.733  -1.809
  281   3HB   ALA  40           HB2      ALA  40  -6.716   1.021  -2.003
  282    H    VAL  41           HN       VAL  41  -3.589   0.711  -3.971
  283    HA   VAL  41           HA       VAL  41  -4.362   3.156  -5.282
  284    HB   VAL  41           HB       VAL  41  -1.746   1.623  -5.465
  285   1HG1  VAL  41          HG12      VAL  41  -2.622   4.394  -6.224
  286   2HG1  VAL  41          HG11      VAL  41  -0.959   4.119  -5.704
  287   3HG1  VAL  41          HG13      VAL  41  -1.595   3.267  -7.112
  288   1HG2  VAL  41          HG21      VAL  41  -2.721   2.293  -3.134
  289   2HG2  VAL  41          HG23      VAL  41  -1.046   2.703  -3.502
  290   3HG2  VAL  41          HG22      VAL  41  -2.301   3.937  -3.617
  291    H    VAL  42           HN       VAL  42  -3.881  -0.104  -6.364
  292    HA   VAL  42           HA       VAL  42  -3.808   0.663  -9.209
  293    HB   VAL  42           HB       VAL  42  -3.596  -1.787  -9.592
  294   1HG1  VAL  42          HG13      VAL  42  -1.729  -0.067  -8.530
  295   2HG1  VAL  42          HG12      VAL  42  -1.653  -1.438  -7.423
  296   3HG1  VAL  42          HG11      VAL  42  -1.380  -1.681  -9.147
  297   1HG2  VAL  42          HG22      VAL  42  -4.307  -1.808  -6.709
  298   2HG2  VAL  42          HG21      VAL  42  -4.679  -2.981  -7.969
  299   3HG2  VAL  42          HG23      VAL  42  -3.078  -2.957  -7.233
  300    H    GLU  43           HN       GLU  43  -6.017  -0.678  -6.843
  301    HA   GLU  43           HA       GLU  43  -8.059  -1.183  -8.926
  302   1HB   GLU  43           HB2      GLU  43  -7.537  -2.491  -6.580
  303   2HB   GLU  43           HB1      GLU  43  -8.833  -1.418  -6.086
  304   1HG   GLU  43           HG2      GLU  43 -10.358  -2.329  -7.607
  305   2HG   GLU  43           HG1      GLU  43  -9.081  -2.985  -8.634
  306    H    SER  44           HN       SER  44  -6.954   1.524  -7.638
  307    HA   SER  44           HA       SER  44  -9.688   2.723  -7.409
  308   1HB   SER  44           HB2      SER  44  -8.706   2.729  -5.195
  309   2HB   SER  44           HB1      SER  44  -7.192   3.376  -5.819
  310    HG   SER  44           HG       SER  44  -8.119   5.208  -5.310
  311    H    ASN  45           HN       ASN  45  -7.791   2.457  -9.717
  312    HA   ASN  45           HA       ASN  45  -7.077   3.816 -11.498
  313   1HB   ASN  45           HB2      ASN  45  -8.750   5.852  -9.989
  314   2HB   ASN  45           HB1      ASN  45  -8.056   6.132 -11.584
  315   1HD2  ASN  45          HD22      ASN  45 -11.256   3.599 -11.196
  316   2HD2  ASN  45          HD21      ASN  45 -10.389   4.075  -9.817
  317    H    GLY  46           HN       GLY  46  -5.695   3.691  -8.773
  318   1HA   GLY  46           HA2      GLY  46  -3.783   4.596  -7.801
  319   2HA   GLY  46           HA1      GLY  46  -3.434   5.315  -9.362
  320    H    THR  47           HN       THR  47  -6.364   5.969  -7.557
  321    HA   THR  47           HA       THR  47  -5.461   8.794  -7.242
  322    HB   THR  47           HB       THR  47  -7.778   9.410  -7.206
  323    HG1  THR  47           HG1      THR  47  -8.560   7.778  -5.889
  324   1HG2  THR  47          HG21      THR  47  -6.892   7.466  -9.268
  325   2HG2  THR  47          HG23      THR  47  -8.614   7.843  -9.237
  326   3HG2  THR  47          HG22      THR  47  -7.432   9.135  -9.450
  327    H    LEU  48           HN       LEU  48  -5.680   5.953  -5.529
  328    HA   LEU  48           HA       LEU  48  -6.703   6.971  -3.027
  329   1HB   LEU  48           HB2      LEU  48  -7.026   4.661  -3.338
  330   2HB   LEU  48           HB1      LEU  48  -5.413   4.431  -4.006
  331    HG   LEU  48           HG       LEU  48  -5.010   5.423  -1.402
  332   1HD1  LEU  48          HD11      LEU  48  -7.555   4.281  -1.545
  333   2HD1  LEU  48          HD13      LEU  48  -6.524   3.047  -0.820
  334   3HD1  LEU  48          HD12      LEU  48  -6.633   4.647  -0.085
  335   1HD2  LEU  48          HD23      LEU  48  -4.698   2.822  -2.839
  336   2HD2  LEU  48          HD22      LEU  48  -3.462   3.862  -2.133
  337   3HD2  LEU  48          HD21      LEU  48  -4.460   2.845  -1.092
  338    H    THR  49           HN       THR  49  -5.539   8.103  -1.601
  339    HA   THR  49           HA       THR  49  -2.552   7.946  -1.736
  340    HB   THR  49           HB       THR  49  -2.397  10.219  -1.258
  341    HG1  THR  49           HG1      THR  49  -4.081  11.323  -0.155
  342   1HG2  THR  49          HG22      THR  49  -4.041   9.617  -3.304
  343   2HG2  THR  49          HG21      THR  49  -5.152  10.569  -2.320
  344   3HG2  THR  49          HG23      THR  49  -3.634  11.277  -2.872
  345    H    LEU  50           HN       LEU  50  -1.540   8.017   0.494
  346    HA   LEU  50           HA       LEU  50  -3.443   6.735   2.354
  347   1HB   LEU  50           HB2      LEU  50  -1.779   5.319   2.942
  348   2HB   LEU  50           HB1      LEU  50  -1.052   5.842   1.439
  349    HG   LEU  50           HG       LEU  50  -0.346   7.654   3.609
  350   1HD1  LEU  50          HD12      LEU  50  -0.438   4.791   4.144
  351   2HD1  LEU  50          HD11      LEU  50   1.190   5.451   4.302
  352   3HD1  LEU  50          HD13      LEU  50  -0.131   6.128   5.253
  353   1HD2  LEU  50          HD21      LEU  50   0.772   6.330   1.284
  354   2HD2  LEU  50          HD23      LEU  50   1.350   7.774   2.116
  355   3HD2  LEU  50          HD22      LEU  50   1.863   6.177   2.661
  356    H    SER  51           HN       SER  51  -2.279   7.079   4.800
  357    HA   SER  51           HA       SER  51  -2.442   9.993   5.209
  358   1HB   SER  51           HB2      SER  51  -3.326   9.335   7.352
  359   2HB   SER  51           HB1      SER  51  -4.289   8.617   6.169
  360    HG   SER  51           HG       SER  51  -3.866   6.837   7.123
  361    H    HIS  52           HN       HIS  52  -1.214   6.968   6.548
  362    HA   HIS  52           HA       HIS  52   1.403   8.231   7.072
  363   1HB   HIS  52           HB2      HIS  52   1.414   7.644   9.442
  364   2HB   HIS  52           HB1      HIS  52   0.052   8.711   9.099
  365    HD1  HIS  52           HD1      HIS  52   0.887   5.247  10.177
  366    HD2  HIS  52           HD2      HIS  52  -2.502   7.382   9.050
  367    HE1  HIS  52           HE1      HIS  52  -1.107   3.831  10.834
  368    H    PHE  53           HN       PHE  53   3.066   6.751   7.024
  369    HA   PHE  53           HA       PHE  53   2.460   4.076   6.074
  370   1HB   PHE  53           HB2      PHE  53   5.042   5.434   6.876
  371   2HB   PHE  53           HB1      PHE  53   4.959   3.777   6.278
  372    HD1  PHE  53           HD2      PHE  53   3.926   7.268   5.405
  373    HD2  PHE  53           HD1      PHE  53   4.969   3.357   3.968
  374    HE1  PHE  53           HE2      PHE  53   3.867   8.109   3.072
  375    HE2  PHE  53           HE1      PHE  53   4.909   4.199   1.636
  376    HZ   PHE  53           HZ       PHE  53   4.359   6.573   1.188
  377    H    GLY  54           HN       GLY  54   1.699   2.610   7.488
  378   1HA   GLY  54           HA2      GLY  54   2.864   1.160   9.348
  379   2HA   GLY  54           HA1      GLY  54   2.607   2.610  10.285
  380    H    LYS  55           HN       LYS  55   1.321   0.727  11.397
  381    HA   LYS  55           HA       LYS  55  -1.347   0.309  10.254
  382   1HB   LYS  55           HB2      LYS  55  -1.361  -0.396  13.022
  383   2HB   LYS  55           HB1      LYS  55  -1.345  -1.474  11.633
  384   1HG   LYS  55           HG2      LYS  55   1.179  -1.185  11.573
  385   2HG   LYS  55           HG1      LYS  55   1.038  -0.378  13.136
  386   1HD   LYS  55           HD2      LYS  55  -0.361  -2.531  13.768
  387   2HD   LYS  55           HD1      LYS  55   0.546  -3.251  12.436
  388   1HE   LYS  55           HE2      LYS  55   1.694  -1.904  14.897
  389   2HE   LYS  55           HE1      LYS  55   1.796  -3.616  14.483
  390   1HZ   LYS  55           HZ3      LYS  55   2.760  -2.249  12.293
  391   2HZ   LYS  55           HZ2      LYS  55   3.445  -1.470  13.639
  392   3HZ   LYS  55           HZ1      LYS  55   3.663  -3.140  13.419
  393    H    CYS  56           HN       CYS  56  -3.246   1.145  11.070
  394    HA   CYS  56           HA       CYS  56  -3.205   3.879  11.766
  395   1HB   CYS  56           HB2      CYS  56  -5.365   1.769  11.931
  396   2HB   CYS  56           HB1      CYS  56  -5.667   3.475  12.254
   
  No H/Q in entry =         396
  Start of MODEL           5
 Raw file had  401 H/Q atoms
  Start of MODEL    5
    1   1H    LEU   1           HT2      LEU   1  15.757  13.300  -3.676
    2   2H    LEU   1           HT1      LEU   1  15.725  13.264  -5.374
    3   3H    LEU   1           HT3      LEU   1  15.294  14.681  -4.548
    4    HA   LEU   1           HA       LEU   1  13.200  14.034  -4.284
    5   1HB   LEU   1           HB2      LEU   1  13.965  13.115  -6.630
    6   2HB   LEU   1           HB1      LEU   1  13.772  11.539  -5.859
    7    HG   LEU   1           HG       LEU   1  11.539  13.367  -5.326
    8   1HD1  LEU   1          HD11      LEU   1  12.441  13.782  -7.801
    9   2HD1  LEU   1          HD13      LEU   1  11.574  12.278  -8.112
   10   3HD1  LEU   1          HD12      LEU   1  10.713  13.674  -7.465
   11   1HD2  LEU   1          HD21      LEU   1  11.889  10.541  -6.354
   12   2HD2  LEU   1          HD23      LEU   1  11.349  11.048  -4.754
   13   3HD2  LEU   1          HD22      LEU   1  10.306  11.292  -6.154
   14    H    ALA   2           HN       ALA   2  12.396  13.293  -2.384
   15    HA   ALA   2           HA       ALA   2  12.485  10.470  -1.712
   16   1HB   ALA   2           HB3      ALA   2  14.129  12.420  -0.070
   17   2HB   ALA   2           HB2      ALA   2  13.703  10.793   0.459
   18   3HB   ALA   2           HB1      ALA   2  14.730  11.019  -0.957
   19    H    ALA   3           HN       ALA   3  10.209  11.626  -2.009
   20    HA   ALA   3           HA       ALA   3   9.296  13.076   0.374
   21   1HB   ALA   3           HB3      ALA   3   8.061  12.193  -2.212
   22   2HB   ALA   3           HB2      ALA   3   7.007  12.618  -0.864
   23   3HB   ALA   3           HB1      ALA   3   8.138  13.808  -1.508
   24    H    VAL   4           HN       VAL   4   6.937  12.091   1.113
   25    HA   VAL   4           HA       VAL   4   7.636   9.404   2.166
   26    HB   VAL   4           HB       VAL   4   5.284  11.131   2.966
   27   1HG1  VAL   4          HG13      VAL   4   6.717   8.731   4.078
   28   2HG1  VAL   4          HG12      VAL   4   5.861   9.825   5.165
   29   3HG1  VAL   4          HG11      VAL   4   4.984   8.996   3.878
   30   1HG2  VAL   4          HG21      VAL   4   7.730  12.138   3.123
   31   2HG2  VAL   4          HG23      VAL   4   6.609  12.308   4.474
   32   3HG2  VAL   4          HG22      VAL   4   7.854  11.059   4.512
   33    H    SER   5           HN       SER   5   7.160   8.339   0.097
   34    HA   SER   5           HA       SER   5   4.435   7.361  -0.018
   35   1HB   SER   5           HB2      SER   5   4.303   9.612  -1.205
   36   2HB   SER   5           HB1      SER   5   5.373   8.933  -2.429
   37    HG   SER   5           HG       SER   5   3.757   7.818  -3.186
   38    H    VAL   6           HN       VAL   6   4.297   5.490  -1.369
   39    HA   VAL   6           HA       VAL   6   6.958   4.437  -2.165
   40    HB   VAL   6           HB       VAL   6   5.197   3.230  -0.617
   41   1HG1  VAL   6          HG13      VAL   6   3.593   3.499  -2.797
   42   2HG1  VAL   6          HG12      VAL   6   4.265   1.895  -3.091
   43   3HG1  VAL   6          HG11      VAL   6   3.396   2.226  -1.592
   44   1HG2  VAL   6          HG23      VAL   6   7.266   2.356  -2.394
   45   2HG2  VAL   6          HG22      VAL   6   6.747   1.623  -0.876
   46   3HG2  VAL   6          HG21      VAL   6   5.987   1.142  -2.393
   47    H    ASP   7           HN       ASP   7   6.000   2.502  -4.046
   48    HA   ASP   7           HA       ASP   7   4.848   4.193  -6.213
   49   1HB   ASP   7           HB2      ASP   7   7.358   4.100  -6.386
   50   2HB   ASP   7           HB1      ASP   7   7.230   2.350  -6.562
   51    H    CYS   8           HN       CYS   8   3.672   2.981  -7.792
   52    HA   CYS   8           HA       CYS   8   3.394   0.066  -7.261
   53   1HB   CYS   8           HB2      CYS   8   0.991   1.834  -7.748
   54   2HB   CYS   8           HB1      CYS   8   1.011   0.158  -7.196
   55    H    SER   9           HN       SER   9   4.886   1.044  -9.351
   56    HA   SER   9           HA       SER   9   3.175   1.227 -11.735
   57   1HB   SER   9           HB2      SER   9   5.013   2.068 -12.792
   58   2HB   SER   9           HB1      SER   9   5.611   2.289 -11.152
   59    HG   SER   9           HG       SER   9   7.134   1.147 -12.328
   60    H    GLU  10           HN       GLU  10   4.108  -1.257  -9.867
   61    HA   GLU  10           HA       GLU  10   4.237  -3.140 -12.189
   62   1HB   GLU  10           HB2      GLU  10   5.525  -3.397  -9.453
   63   2HB   GLU  10           HB1      GLU  10   5.506  -4.671 -10.673
   64   1HG   GLU  10           HG2      GLU  10   7.549  -3.677 -11.149
   65   2HG   GLU  10           HG1      GLU  10   6.490  -2.754 -12.217
   66    H    TYR  11           HN       TYR  11   2.435  -2.055  -9.584
   67    HA   TYR  11           HA       TYR  11   1.217  -4.585  -8.825
   68   1HB   TYR  11           HB2      TYR  11   0.843  -1.672  -8.152
   69   2HB   TYR  11           HB1      TYR  11  -0.338  -2.854  -7.606
   70    HD1  TYR  11           HD2      TYR  11   3.181  -1.786  -7.430
   71    HD2  TYR  11           HD1      TYR  11   0.251  -4.534  -5.909
   72    HE1  TYR  11           HE2      TYR  11   4.733  -2.428  -5.609
   73    HE2  TYR  11           HE1      TYR  11   1.815  -5.185  -4.082
   74    HH   TYR  11           HH       TYR  11   4.890  -4.809  -4.087
   75    HA   PRO  12           HA       PRO  12  -0.886  -4.509  -7.791
   76   1HB   PRO  12           HB2      PRO  12  -3.027  -6.216  -8.065
   77   2HB   PRO  12           HB1      PRO  12  -3.190  -4.477  -7.786
   78   1HG   PRO  12           HG2      PRO  12  -3.747  -6.010 -10.245
   79   2HG   PRO  12           HG1      PRO  12  -4.261  -4.372  -9.815
   80   1HD   PRO  12           HD2      PRO  12  -2.085  -5.152 -11.520
   81   2HD   PRO  12           HD1      PRO  12  -2.614  -3.527 -11.207
   82    H    LYS  13           HN       LYS  13   0.011  -6.323  -6.839
   83    HA   LYS  13           HA       LYS  13   1.146  -8.341  -8.659
   84   1HB   LYS  13           HB2      LYS  13   1.815  -7.200  -6.098
   85   2HB   LYS  13           HB1      LYS  13   1.753  -8.957  -5.965
   86   1HG   LYS  13           HG2      LYS  13   3.156  -8.983  -8.133
   87   2HG   LYS  13           HG1      LYS  13   3.459  -7.277  -7.800
   88   1HD   LYS  13           HD2      LYS  13   4.193  -8.003  -5.464
   89   2HD   LYS  13           HD1      LYS  13   4.184  -9.656  -6.081
   90   1HE   LYS  13           HE2      LYS  13   5.605  -8.488  -8.042
   91   2HE   LYS  13           HE1      LYS  13   6.027  -7.405  -6.716
   92   1HZ   LYS  13           HZ1      LYS  13   6.269 -10.365  -6.654
   93   2HZ   LYS  13           HZ3      LYS  13   7.554  -9.284  -6.891
   94   3HZ   LYS  13           HZ2      LYS  13   6.719  -9.297  -5.411
   95    HA   PRO  14           HA       PRO  14  -1.969 -11.320  -7.650
   96   1HB   PRO  14           HB2      PRO  14  -0.680 -13.512  -8.685
   97   2HB   PRO  14           HB1      PRO  14  -1.486 -12.289  -9.684
   98   1HG   PRO  14           HG2      PRO  14   1.429 -12.720  -9.235
   99   2HG   PRO  14           HG1      PRO  14   0.603 -11.997 -10.624
  100   1HD   PRO  14           HD2      PRO  14   1.955 -10.585  -8.598
  101   2HD   PRO  14           HD1      PRO  14   0.839  -9.889  -9.757
  102    H    ALA  15           HN       ALA  15   0.621 -10.819  -5.877
  103    HA   ALA  15           HA       ALA  15  -0.040 -12.754  -3.851
  104   1HB   ALA  15           HB2      ALA  15   1.813 -13.618  -5.844
  105   2HB   ALA  15           HB1      ALA  15   2.710 -13.371  -4.346
  106   3HB   ALA  15           HB3      ALA  15   1.326 -14.464  -4.375
  107    H    CYS  16           HN       CYS  16   0.726 -12.007  -1.882
  108    HA   CYS  16           HA       CYS  16   2.562  -9.650  -2.009
  109   1HB   CYS  16           HB2      CYS  16   0.624 -10.415   0.197
  110   2HB   CYS  16           HB1      CYS  16   1.552  -8.922   0.083
  111    H    THR  17           HN       THR  17   4.229  -9.492  -0.389
  112    HA   THR  17           HA       THR  17   5.559 -11.960   0.200
  113    HB   THR  17           HB       THR  17   7.071 -10.556   1.576
  114    HG1  THR  17           HG1      THR  17   5.701  -9.136   2.520
  115   1HG2  THR  17          HG23      THR  17   6.189  -9.640  -1.145
  116   2HG2  THR  17          HG22      THR  17   7.451  -8.753  -0.289
  117   3HG2  THR  17          HG21      THR  17   7.680 -10.458  -0.675
  118    H    LEU  18           HN       LEU  18   6.318 -11.561   2.963
  119    HA   LEU  18           HA       LEU  18   3.696 -12.088   4.293
  120   1HB   LEU  18           HB2      LEU  18   4.790 -13.796   5.663
  121   2HB   LEU  18           HB1      LEU  18   5.014 -14.173   3.956
  122    HG   LEU  18           HG       LEU  18   7.169 -12.492   4.662
  123   1HD1  LEU  18          HD13      LEU  18   6.205 -13.789   6.978
  124   2HD1  LEU  18          HD12      LEU  18   7.634 -14.692   6.477
  125   3HD1  LEU  18          HD11      LEU  18   7.749 -12.960   6.788
  126   1HD2  LEU  18          HD22      LEU  18   6.875 -14.605   3.123
  127   2HD2  LEU  18          HD21      LEU  18   8.447 -14.275   3.852
  128   3HD2  LEU  18          HD23      LEU  18   7.382 -15.488   4.562
  129    H    GLU  19           HN       GLU  19   6.914 -10.657   4.565
  130    HA   GLU  19           HA       GLU  19   7.018 -10.011   7.280
  131   1HB   GLU  19           HB2      GLU  19   8.182  -7.905   6.591
  132   2HB   GLU  19           HB1      GLU  19   8.801  -9.329   5.755
  133   1HG   GLU  19           HG2      GLU  19   6.544  -7.941   4.418
  134   2HG   GLU  19           HG1      GLU  19   8.064  -7.054   4.478
  135    H    TYR  20           HN       TYR  20   6.246  -7.999   8.425
  136    HA   TYR  20           HA       TYR  20   3.620  -7.192   7.258
  137   1HB   TYR  20           HB2      TYR  20   3.577  -8.429   9.451
  138   2HB   TYR  20           HB1      TYR  20   4.397  -7.046  10.174
  139    HD1  TYR  20           HD2      TYR  20   1.715  -7.177   7.538
  140    HD2  TYR  20           HD1      TYR  20   2.810  -5.953  11.517
  141    HE1  TYR  20           HE2      TYR  20  -0.450  -5.992   7.773
  142    HE2  TYR  20           HE1      TYR  20   0.643  -4.770  11.744
  143    HH   TYR  20           HH       TYR  20  -1.711  -4.709   9.062
  144    H    ARG  21           HN       ARG  21   4.356  -5.431   6.076
  145    HA   ARG  21           HA       ARG  21   5.350  -3.111   7.691
  146   1HB   ARG  21           HB2      ARG  21   5.551  -3.498   4.682
  147   2HB   ARG  21           HB1      ARG  21   6.305  -2.221   5.638
  148   1HG   ARG  21           HG2      ARG  21   6.885  -5.122   6.207
  149   2HG   ARG  21           HG1      ARG  21   7.771  -4.250   4.956
  150   1HD   ARG  21           HD2      ARG  21   7.964  -2.445   6.943
  151   2HD   ARG  21           HD1      ARG  21   7.845  -3.914   7.912
  152    HE   ARG  21           HE       ARG  21   9.853  -3.818   5.720
  153   1HH1  ARG  21          HH11      ARG  21   9.245  -3.204   9.021
  154   2HH1  ARG  21          HH12      ARG  21  10.714  -3.933   9.580
  155   1HH2  ARG  21          HH21      ARG  21  11.655  -5.075   6.445
  156   2HH2  ARG  21          HH22      ARG  21  12.077  -4.993   8.123
  157    HA   PRO  22           HA       PRO  22   0.886  -2.731   6.566
  158   1HB   PRO  22           HB2      PRO  22   0.271  -1.382   8.907
  159   2HB   PRO  22           HB1      PRO  22   0.208  -3.153   8.701
  160   1HG   PRO  22           HG2      PRO  22   2.305  -1.465  10.023
  161   2HG   PRO  22           HG1      PRO  22   1.766  -3.106  10.427
  162   1HD   PRO  22           HD2      PRO  22   4.114  -2.573   9.072
  163   2HD   PRO  22           HD1      PRO  22   3.208  -4.093   8.917
  164    H    LEU  23           HN       LEU  23   0.481  -1.162   5.096
  165    HA   LEU  23           HA       LEU  23   1.343   1.606   5.822
  166   1HB   LEU  23           HB2      LEU  23   0.457   0.414   3.167
  167   2HB   LEU  23           HB1      LEU  23   1.082   2.042   3.406
  168    HG   LEU  23           HG       LEU  23   3.067   0.623   4.562
  169   1HD1  LEU  23          HD13      LEU  23   1.919  -1.122   2.364
  170   2HD1  LEU  23          HD12      LEU  23   3.481  -1.373   3.144
  171   3HD1  LEU  23          HD11      LEU  23   1.992  -1.530   4.076
  172   1HD2  LEU  23          HD22      LEU  23   2.668   2.082   2.212
  173   2HD2  LEU  23          HD21      LEU  23   4.219   1.579   2.885
  174   3HD2  LEU  23          HD23      LEU  23   3.412   0.573   1.682
  175    H    CYS  24           HN       CYS  24  -0.427   3.295   5.504
  176    HA   CYS  24           HA       CYS  24  -3.147   2.023   5.623
  177   1HB   CYS  24           HB2      CYS  24  -2.148   3.097   7.810
  178   2HB   CYS  24           HB1      CYS  24  -2.646   4.601   7.081
  179    H    GLY  25           HN       GLY  25  -4.763   3.018   4.378
  180   1HA   GLY  25           HA2      GLY  25  -3.767   5.067   2.505
  181   2HA   GLY  25           HA1      GLY  25  -5.051   4.046   2.223
  182    H    SER  26           HN       SER  26  -5.160   6.720   1.648
  183    HA   SER  26           HA       SER  26  -6.112   8.366   3.788
  184   1HB   SER  26           HB2      SER  26  -5.354   9.159   1.517
  185   2HB   SER  26           HB1      SER  26  -6.889   8.588   0.866
  186    HG   SER  26           HG       SER  26  -6.320  10.748   2.528
  187    H    ASP  27           HN       ASP  27  -7.678   5.809   2.057
  188    HA   ASP  27           HA       ASP  27 -10.395   6.764   2.582
  189   1HB   ASP  27           HB2      ASP  27 -10.940   4.301   1.972
  190   2HB   ASP  27           HB1      ASP  27 -10.270   5.335   0.709
  191    H    ASN  28           HN       ASN  28  -8.081   5.849   4.634
  192    HA   ASN  28           HA       ASN  28  -8.134   5.212   6.872
  193   1HB   ASN  28           HB2      ASN  28 -10.355   6.454   6.853
  194   2HB   ASN  28           HB1      ASN  28 -11.130   4.908   6.522
  195   1HD2  ASN  28          HD22      ASN  28  -9.979   5.795  10.293
  196   2HD2  ASN  28          HD21      ASN  28  -9.832   6.911   9.022
  197    H    LYS  29           HN       LYS  29  -8.021   3.351   4.528
  198    HA   LYS  29           HA       LYS  29  -8.917   0.879   5.951
  199   1HB   LYS  29           HB2      LYS  29 -10.021   0.990   3.829
  200   2HB   LYS  29           HB1      LYS  29  -8.525   1.409   2.995
  201   1HG   LYS  29           HG2      LYS  29  -8.394  -1.083   4.569
  202   2HG   LYS  29           HG1      LYS  29  -9.517  -1.140   3.210
  203   1HD   LYS  29           HD2      LYS  29  -7.339   0.107   2.088
  204   2HD   LYS  29           HD1      LYS  29  -6.576  -1.024   3.208
  205   1HE   LYS  29           HE2      LYS  29  -6.840  -2.466   1.442
  206   2HE   LYS  29           HE1      LYS  29  -8.441  -2.660   2.158
  207   1HZ   LYS  29           HZ1      LYS  29  -8.174  -0.413   0.357
  208   2HZ   LYS  29           HZ3      LYS  29  -7.997  -1.930  -0.380
  209   3HZ   LYS  29           HZ2      LYS  29  -9.414  -1.568   0.482
  210    H    THR  30           HN       THR  30  -7.219   0.024   6.968
  211    HA   THR  30           HA       THR  30  -4.484   0.606   6.188
  212    HB   THR  30           HB       THR  30  -5.695  -1.266   8.235
  213    HG1  THR  30           HG1      THR  30  -4.413   0.348   9.527
  214   1HG2  THR  30          HG21      THR  30  -2.913  -1.033   7.221
  215   2HG2  THR  30          HG23      THR  30  -3.103  -1.092   8.975
  216   3HG2  THR  30          HG22      THR  30  -3.727  -2.404   7.975
  217    H    TYR  31           HN       TYR  31  -3.277  -0.505   4.736
  218    HA   TYR  31           HA       TYR  31  -4.343  -3.067   3.726
  219   1HB   TYR  31           HB2      TYR  31  -2.050  -2.346   2.253
  220   2HB   TYR  31           HB1      TYR  31  -3.703  -2.249   1.733
  221    HD1  TYR  31           HD2      TYR  31  -1.032  -0.476   3.359
  222    HD2  TYR  31           HD1      TYR  31  -4.826  -0.057   1.472
  223    HE1  TYR  31           HE2      TYR  31  -0.745   2.015   3.223
  224    HE2  TYR  31           HE1      TYR  31  -4.538   2.380   1.337
  225    HH   TYR  31           HH       TYR  31  -1.494   3.883   2.433
  226    H    GLY  32           HN       GLY  32  -3.495  -4.899   4.487
  227   1HA   GLY  32           HA2      GLY  32  -1.944  -5.549   6.494
  228   2HA   GLY  32           HA1      GLY  32  -1.704  -6.441   4.999
  229    H    ASN  33           HN       ASN  33  -0.277  -4.960   3.399
  230    HA   ASN  33           HA       ASN  33   1.792  -3.474   4.794
  231   1HB   ASN  33           HB2      ASN  33   3.658  -4.966   4.170
  232   2HB   ASN  33           HB1      ASN  33   2.537  -5.769   5.240
  233   1HD2  ASN  33          HD22      ASN  33   2.961  -8.323   2.712
  234   2HD2  ASN  33          HD21      ASN  33   3.667  -7.740   4.141
  235    H    LYS  34           HN       LYS  34   3.792  -3.654   2.917
  236    HA   LYS  34           HA       LYS  34   3.161  -1.714   1.123
  237   1HB   LYS  34           HB2      LYS  34   5.225  -2.122   0.199
  238   2HB   LYS  34           HB1      LYS  34   5.392  -3.028   1.687
  239   1HG   LYS  34           HG2      LYS  34   4.839  -5.107   0.547
  240   2HG   LYS  34           HG1      LYS  34   4.524  -4.231  -0.956
  241   1HD   LYS  34           HD2      LYS  34   7.152  -3.608   0.157
  242   2HD   LYS  34           HD1      LYS  34   6.965  -5.325  -0.197
  243   1HE   LYS  34           HE2      LYS  34   7.667  -4.537  -2.268
  244   2HE   LYS  34           HE1      LYS  34   5.917  -4.426  -2.452
  245   1HZ   LYS  34           HZ3      LYS  34   6.079  -2.099  -1.686
  246   2HZ   LYS  34           HZ2      LYS  34   7.772  -2.236  -1.697
  247   3HZ   LYS  34           HZ1      LYS  34   6.896  -2.377  -3.145
  248    H    CYS  35           HN       CYS  35   3.021  -5.223   0.296
  249    HA   CYS  35           HA       CYS  35   2.015  -4.867  -2.303
  250   1HB   CYS  35           HB2      CYS  35   2.828  -7.032  -1.575
  251   2HB   CYS  35           HB1      CYS  35   1.575  -7.123  -0.338
  252    H    ASN  36           HN       ASN  36   0.137  -5.661   0.650
  253    HA   ASN  36           HA       ASN  36  -2.419  -5.396  -0.520
  254   1HB   ASN  36           HB2      ASN  36  -1.567  -4.718   2.305
  255   2HB   ASN  36           HB1      ASN  36  -3.237  -4.816   1.766
  256   1HD2  ASN  36          HD22      ASN  36  -1.119  -8.317   2.079
  257   2HD2  ASN  36          HD21      ASN  36  -0.273  -6.855   1.994
  258    H    PHE  37           HN       PHE  37  -0.047  -2.997   0.201
  259    HA   PHE  37           HA       PHE  37  -2.014  -0.868   0.360
  260   1HB   PHE  37           HB2      PHE  37   0.021  -0.471   1.544
  261   2HB   PHE  37           HB1      PHE  37   1.002  -0.707   0.250
  262    HD1  PHE  37           HD1      PHE  37  -2.210   0.938   0.288
  263    HD2  PHE  37           HD2      PHE  37   1.985   1.484  -0.113
  264    HE1  PHE  37           HE1      PHE  37  -2.632   3.261  -0.339
  265    HE2  PHE  37           HE2      PHE  37   1.613   3.862  -0.768
  266    HZ   PHE  37           HZ       PHE  37  -0.717   4.763  -0.884
  267    H    CYS  38           HN       CYS  38   0.697  -1.243  -1.835
  268    HA   CYS  38           HA       CYS  38  -0.128   0.488  -3.830
  269   1HB   CYS  38           HB2      CYS  38   1.527  -1.988  -3.830
  270   2HB   CYS  38           HB1      CYS  38   0.928  -1.433  -5.393
  271    H    ASN  39           HN       ASN  39  -1.453  -2.612  -2.960
  272    HA   ASN  39           HA       ASN  39  -2.982  -2.969  -5.405
  273   1HB   ASN  39           HB2      ASN  39  -3.072  -4.199  -2.648
  274   2HB   ASN  39           HB1      ASN  39  -4.334  -4.540  -3.832
  275   1HD2  ASN  39          HD22      ASN  39  -1.341  -6.928  -4.108
  276   2HD2  ASN  39          HD21      ASN  39  -2.149  -6.348  -2.732
  277    H    ALA  40           HN       ALA  40  -3.693  -1.779  -2.114
  278    HA   ALA  40           HA       ALA  40  -6.411  -1.082  -2.520
  279   1HB   ALA  40           HB3      ALA  40  -4.229   0.114  -0.790
  280   2HB   ALA  40           HB2      ALA  40  -5.878   0.738  -0.765
  281   3HB   ALA  40           HB1      ALA  40  -5.558  -0.929  -0.287
  282    H    VAL  41           HN       VAL  41  -3.463   0.397  -3.628
  283    HA   VAL  41           HA       VAL  41  -4.696   2.940  -4.384
  284    HB   VAL  41           HB       VAL  41  -2.058   1.639  -5.143
  285   1HG1  VAL  41          HG12      VAL  41  -3.358   3.658  -6.511
  286   2HG1  VAL  41          HG11      VAL  41  -2.310   4.549  -5.408
  287   3HG1  VAL  41          HG13      VAL  41  -1.618   3.372  -6.525
  288   1HG2  VAL  41          HG21      VAL  41  -2.665   2.477  -2.703
  289   2HG2  VAL  41          HG23      VAL  41  -1.088   2.833  -3.404
  290   3HG2  VAL  41          HG22      VAL  41  -2.352   4.065  -3.405
  291    H    VAL  42           HN       VAL  42  -3.540   0.041  -6.102
  292    HA   VAL  42           HA       VAL  42  -4.324   0.882  -8.719
  293    HB   VAL  42           HB       VAL  42  -3.839  -1.343  -9.405
  294   1HG1  VAL  42          HG12      VAL  42  -2.166  -0.083  -7.419
  295   2HG1  VAL  42          HG11      VAL  42  -2.026  -1.838  -7.303
  296   3HG1  VAL  42          HG13      VAL  42  -1.690  -1.027  -8.832
  297   1HG2  VAL  42          HG23      VAL  42  -5.111  -2.003  -6.894
  298   2HG2  VAL  42          HG22      VAL  42  -4.832  -3.029  -8.299
  299   3HG2  VAL  42          HG21      VAL  42  -3.588  -2.865  -7.066
  300    H    GLU  43           HN       GLU  43  -6.158  -0.451  -6.075
  301    HA   GLU  43           HA       GLU  43  -8.403  -1.164  -7.858
  302   1HB   GLU  43           HB2      GLU  43  -7.534  -2.371  -5.603
  303   2HB   GLU  43           HB1      GLU  43  -8.729  -1.297  -4.905
  304   1HG   GLU  43           HG2      GLU  43  -9.599  -2.699  -7.357
  305   2HG   GLU  43           HG1      GLU  43  -9.316  -3.740  -5.961
  306    H    SER  44           HN       SER  44  -7.231   1.549  -6.276
  307    HA   SER  44           HA       SER  44  -9.985   2.713  -6.072
  308   1HB   SER  44           HB2      SER  44  -9.332   3.912  -4.233
  309   2HB   SER  44           HB1      SER  44  -8.158   2.607  -4.082
  310    HG   SER  44           HG       SER  44  -6.612   3.891  -4.863
  311    H    ASN  45           HN       ASN  45  -7.967   2.486  -8.405
  312    HA   ASN  45           HA       ASN  45  -7.298   3.784 -10.204
  313   1HB   ASN  45           HB2      ASN  45  -8.732   5.460 -10.931
  314   2HB   ASN  45           HB1      ASN  45  -9.804   4.469  -9.965
  315   1HD2  ASN  45          HD22      ASN  45 -10.676   7.251  -8.002
  316   2HD2  ASN  45          HD21      ASN  45 -11.140   5.788  -8.727
  317    H    GLY  46           HN       GLY  46  -6.262   4.314  -7.296
  318   1HA   GLY  46           HA2      GLY  46  -4.363   5.502  -6.575
  319   2HA   GLY  46           HA1      GLY  46  -4.305   6.296  -8.141
  320    H    THR  47           HN       THR  47  -7.391   6.636  -6.825
  321    HA   THR  47           HA       THR  47  -6.902   9.467  -6.266
  322    HB   THR  47           HB       THR  47  -9.025   8.597  -7.324
  323    HG1  THR  47           HG1      THR  47  -9.469   9.874  -4.838
  324   1HG2  THR  47          HG22      THR  47  -9.017   6.642  -5.564
  325   2HG2  THR  47          HG21      THR  47  -9.902   7.799  -4.570
  326   3HG2  THR  47          HG23      THR  47 -10.548   7.303  -6.135
  327    H    LEU  48           HN       LEU  48  -6.389   6.691  -4.545
  328    HA   LEU  48           HA       LEU  48  -7.333   7.503  -1.930
  329   1HB   LEU  48           HB2      LEU  48  -7.213   5.200  -2.090
  330   2HB   LEU  48           HB1      LEU  48  -5.853   5.250  -3.198
  331    HG   LEU  48           HG       LEU  48  -4.856   6.241  -0.745
  332   1HD1  LEU  48          HD11      LEU  48  -7.013   4.297  -0.436
  333   2HD1  LEU  48          HD13      LEU  48  -5.517   3.891   0.402
  334   3HD1  LEU  48          HD12      LEU  48  -6.324   5.426   0.732
  335   1HD2  LEU  48          HD23      LEU  48  -4.268   4.302  -2.691
  336   2HD2  LEU  48          HD22      LEU  48  -3.242   4.790  -1.342
  337   3HD2  LEU  48          HD21      LEU  48  -4.346   3.426  -1.163
  338    H    THR  49           HN       THR  49  -4.106   6.533  -2.735
  339    HA   THR  49           HA       THR  49  -2.047   7.644  -2.611
  340    HB   THR  49           HB       THR  49  -1.828   9.830  -1.930
  341    HG1  THR  49           HG1      THR  49  -3.044  10.785  -0.427
  342   1HG2  THR  49          HG23      THR  49  -3.961   9.211  -3.662
  343   2HG2  THR  49          HG22      THR  49  -4.517  10.548  -2.656
  344   3HG2  THR  49          HG21      THR  49  -3.037  10.712  -3.602
  345    H    LEU  50           HN       LEU  50  -0.565   7.124  -1.065
  346    HA   LEU  50           HA       LEU  50  -1.328   5.512   1.089
  347   1HB   LEU  50           HB2      LEU  50   0.889   5.361   0.299
  348   2HB   LEU  50           HB1      LEU  50   1.154   7.095   0.406
  349    HG   LEU  50           HG       LEU  50   0.858   6.784   2.957
  350   1HD1  LEU  50          HD11      LEU  50   0.860   3.992   1.924
  351   2HD1  LEU  50          HD13      LEU  50   1.836   4.298   3.360
  352   3HD1  LEU  50          HD12      LEU  50   0.107   4.647   3.377
  353   1HD2  LEU  50          HD23      LEU  50   3.020   6.756   1.236
  354   2HD2  LEU  50          HD22      LEU  50   3.112   6.917   2.990
  355   3HD2  LEU  50          HD21      LEU  50   3.294   5.332   2.238
  356    H    SER  51           HN       SER  51  -1.024   6.113   3.452
  357    HA   SER  51           HA       SER  51  -1.947   8.856   3.986
  358   1HB   SER  51           HB2      SER  51  -3.110   7.921   5.767
  359   2HB   SER  51           HB1      SER  51  -3.437   6.778   4.556
  360    HG   SER  51           HG       SER  51  -2.452   6.392   6.883
  361    H    HIS  52           HN       HIS  52  -0.161   6.137   5.333
  362    HA   HIS  52           HA       HIS  52   2.167   7.684   6.058
  363   1HB   HIS  52           HB2      HIS  52   1.935   7.571   8.484
  364   2HB   HIS  52           HB1      HIS  52   0.517   8.399   7.832
  365    HD1  HIS  52           HD1      HIS  52   0.445   6.787  10.550
  366    HD2  HIS  52           HD2      HIS  52  -0.789   5.307   6.842
  367    HE1  HIS  52           HE1      HIS  52  -1.155   4.873  11.016
  368    H    PHE  53           HN       PHE  53   3.848   6.226   6.822
  369    HA   PHE  53           HA       PHE  53   3.399   3.465   6.020
  370   1HB   PHE  53           HB2      PHE  53   5.781   4.856   7.261
  371   2HB   PHE  53           HB1      PHE  53   5.767   3.157   6.787
  372    HD1  PHE  53           HD2      PHE  53   5.437   6.634   5.534
  373    HD2  PHE  53           HD1      PHE  53   5.899   2.494   4.485
  374    HE1  PHE  53           HE2      PHE  53   5.902   7.281   3.186
  375    HE2  PHE  53           HE1      PHE  53   6.362   3.141   2.137
  376    HZ   PHE  53           HZ       PHE  53   6.364   5.534   1.487
  377    H    GLY  54           HN       GLY  54   2.286   2.168   7.341
  378   1HA   GLY  54           HA2      GLY  54   2.874   0.872   9.529
  379   2HA   GLY  54           HA1      GLY  54   2.543   2.409  10.262
  380    H    LYS  55           HN       LYS  55   0.903   0.748  11.219
  381    HA   LYS  55           HA       LYS  55  -1.536   0.538   9.563
  382   1HB   LYS  55           HB2      LYS  55  -2.245  -0.351  12.087
  383   2HB   LYS  55           HB1      LYS  55  -1.708  -1.379  10.765
  384   1HG   LYS  55           HG2      LYS  55   0.560  -1.357  11.563
  385   2HG   LYS  55           HG1      LYS  55   0.196  -0.091  12.735
  386   1HD   LYS  55           HD2      LYS  55  -1.599  -1.848  13.584
  387   2HD   LYS  55           HD1      LYS  55  -0.508  -3.000  12.811
  388   1HE   LYS  55           HE2      LYS  55   0.541  -2.925  14.845
  389   2HE   LYS  55           HE1      LYS  55   1.298  -1.493  14.147
  390   1HZ   LYS  55           HZ3      LYS  55  -1.279  -1.008  15.343
  391   2HZ   LYS  55           HZ2      LYS  55  -0.098  -1.529  16.447
  392   3HZ   LYS  55           HZ1      LYS  55   0.170  -0.142  15.502
  393    H    CYS  56           HN       CYS  56  -3.214   1.964   9.760
  394    HA   CYS  56           HA       CYS  56  -3.039   4.463  10.902
  395   1HB   CYS  56           HB2      CYS  56  -5.369   2.672  10.338
  396   2HB   CYS  56           HB1      CYS  56  -5.656   4.163  11.236
   
  No H/Q in entry =         396
  Start of MODEL           6
 Raw file had  401 H/Q atoms
  Start of MODEL    6
    1   1H    LEU   1           HT3      LEU   1  11.183  17.274   3.877
    2   2H    LEU   1           HT2      LEU   1  12.437  16.330   4.527
    3   3H    LEU   1           HT1      LEU   1  12.751  17.401   3.245
    4    HA   LEU   1           HA       LEU   1  11.480  16.107   1.727
    5   1HB   LEU   1           HB2      LEU   1  13.698  15.006   3.273
    6   2HB   LEU   1           HB1      LEU   1  12.680  13.739   2.585
    7    HG   LEU   1           HG       LEU   1  12.824  14.959   0.372
    8   1HD1  LEU   1          HD13      LEU   1  13.502  17.146   1.422
    9   2HD1  LEU   1          HD12      LEU   1  15.081  16.436   1.755
   10   3HD1  LEU   1          HD11      LEU   1  14.541  16.643   0.089
   11   1HD2  LEU   1          HD22      LEU   1  15.193  13.747   1.775
   12   2HD2  LEU   1          HD21      LEU   1  14.203  13.068   0.483
   13   3HD2  LEU   1          HD23      LEU   1  15.367  14.344   0.126
   14    H    ALA   2           HN       ALA   2   9.811  14.634   1.374
   15    HA   ALA   2           HA       ALA   2   8.787  13.083   3.686
   16   1HB   ALA   2           HB1      ALA   2   7.465  15.424   2.450
   17   2HB   ALA   2           HB3      ALA   2   6.436  14.005   2.646
   18   3HB   ALA   2           HB2      ALA   2   7.235  14.716   4.049
   19    H    ALA   3           HN       ALA   3   7.271  13.917   0.578
   20    HA   ALA   3           HA       ALA   3   6.584  12.531  -1.184
   21   1HB   ALA   3           HB3      ALA   3   9.287  12.157  -0.858
   22   2HB   ALA   3           HB2      ALA   3   8.677  10.507  -0.729
   23   3HB   ALA   3           HB1      ALA   3   8.333  11.464  -2.170
   24    H    VAL   4           HN       VAL   4   4.728  11.930   0.249
   25    HA   VAL   4           HA       VAL   4   4.940   9.309   1.587
   26    HB   VAL   4           HB       VAL   4   2.518   9.750   2.146
   27   1HG1  VAL   4          HG13      VAL   4   4.556  11.893   2.820
   28   2HG1  VAL   4          HG12      VAL   4   3.036  11.655   3.682
   29   3HG1  VAL   4          HG11      VAL   4   4.273  10.399   3.711
   30   1HG2  VAL   4          HG23      VAL   4   2.829  11.647   0.057
   31   2HG2  VAL   4          HG22      VAL   4   1.393  11.357   1.039
   32   3HG2  VAL   4          HG21      VAL   4   2.576  12.566   1.540
   33    H    SER   5           HN       SER   5   5.294   7.966  -0.289
   34    HA   SER   5           HA       SER   5   2.790   7.186  -1.610
   35   1HB   SER   5           HB2      SER   5   4.662   7.365  -3.739
   36   2HB   SER   5           HB1      SER   5   3.153   8.253  -3.555
   37    HG   SER   5           HG       SER   5   5.778   8.984  -2.888
   38    H    VAL   6           HN       VAL   6   3.043   5.106  -2.741
   39    HA   VAL   6           HA       VAL   6   5.543   3.665  -1.951
   40    HB   VAL   6           HB       VAL   6   2.780   2.437  -2.041
   41   1HG1  VAL   6          HG12      VAL   6   5.532   1.519  -1.439
   42   2HG1  VAL   6          HG11      VAL   6   4.282   0.954  -0.331
   43   3HG1  VAL   6          HG13      VAL   6   4.153   0.611  -2.057
   44   1HG2  VAL   6          HG21      VAL   6   3.734   4.302  -0.165
   45   2HG2  VAL   6          HG23      VAL   6   2.342   3.237   0.023
   46   3HG2  VAL   6          HG22      VAL   6   3.926   2.729   0.609
   47    H    ASP   7           HN       ASP   7   6.114   1.873  -3.391
   48    HA   ASP   7           HA       ASP   7   5.794   2.477  -6.167
   49   1HB   ASP   7           HB2      ASP   7   7.704   1.170  -5.377
   50   2HB   ASP   7           HB1      ASP   7   6.627  -0.108  -4.811
   51    H    CYS   8           HN       CYS   8   4.350   1.620  -7.714
   52    HA   CYS   8           HA       CYS   8   2.527  -0.529  -6.969
   53   1HB   CYS   8           HB2      CYS   8   1.763   1.851  -6.034
   54   2HB   CYS   8           HB1      CYS   8   1.139   2.020  -7.668
   55    H    SER   9           HN       SER   9   4.440   0.326  -9.161
   56    HA   SER   9           HA       SER   9   2.618   0.548 -11.477
   57   1HB   SER   9           HB2      SER   9   4.843   1.810 -11.248
   58   2HB   SER   9           HB1      SER   9   5.623   0.264 -11.569
   59    HG   SER   9           HG       SER   9   4.469   0.171 -13.526
   60    H    GLU  10           HN       GLU  10   3.121  -1.965  -9.664
   61    HA   GLU  10           HA       GLU  10   3.398  -3.815 -11.994
   62   1HB   GLU  10           HB2      GLU  10   4.592  -4.414  -9.285
   63   2HB   GLU  10           HB1      GLU  10   4.860  -5.271 -10.805
   64   1HG   GLU  10           HG2      GLU  10   6.758  -3.966 -10.802
   65   2HG   GLU  10           HG1      GLU  10   5.653  -2.832 -11.583
   66    H    TYR  11           HN       TYR  11   1.628  -2.949  -9.193
   67    HA   TYR  11           HA       TYR  11   0.493  -5.593  -8.787
   68   1HB   TYR  11           HB2      TYR  11   0.013  -2.873  -7.569
   69   2HB   TYR  11           HB1      TYR  11  -0.889  -4.298  -7.079
   70    HD1  TYR  11           HD2      TYR  11   2.426  -2.670  -7.092
   71    HD2  TYR  11           HD1      TYR  11   0.202  -6.138  -5.857
   72    HE1  TYR  11           HE2      TYR  11   4.312  -3.367  -5.646
   73    HE2  TYR  11           HE1      TYR  11   2.090  -6.815  -4.388
   74    HH   TYR  11           HH       TYR  11   5.178  -5.492  -4.642
   75    HA   PRO  12           HA       PRO  12  -1.723  -5.792  -7.643
   76   1HB   PRO  12           HB2      PRO  12  -3.355  -7.848  -8.470
   77   2HB   PRO  12           HB1      PRO  12  -3.966  -6.287  -7.888
   78   1HG   PRO  12           HG2      PRO  12  -3.732  -7.280 -10.714
   79   2HG   PRO  12           HG1      PRO  12  -4.962  -6.225  -9.993
   80   1HD   PRO  12           HD2      PRO  12  -2.839  -5.290 -11.526
   81   2HD   PRO  12           HD1      PRO  12  -3.728  -4.344 -10.380
   82    H    LYS  13           HN       LYS  13  -0.541  -7.559  -6.980
   83    HA   LYS  13           HA       LYS  13   0.908  -9.083  -9.104
   84   1HB   LYS  13           HB2      LYS  13   1.839  -7.613  -6.890
   85   2HB   LYS  13           HB1      LYS  13   2.011  -9.304  -6.427
   86   1HG   LYS  13           HG2      LYS  13   2.909  -9.316  -9.035
   87   2HG   LYS  13           HG1      LYS  13   3.485  -7.758  -8.443
   88   1HD   LYS  13           HD2      LYS  13   4.053  -9.422  -6.325
   89   2HD   LYS  13           HD1      LYS  13   4.351 -10.471  -7.712
   90   1HE   LYS  13           HE2      LYS  13   5.507  -7.687  -7.378
   91   2HE   LYS  13           HE1      LYS  13   6.380  -9.184  -7.046
   92   1HZ   LYS  13           HZ2      LYS  13   5.580  -9.747  -9.457
   93   2HZ   LYS  13           HZ1      LYS  13   5.528  -8.055  -9.609
   94   3HZ   LYS  13           HZ3      LYS  13   6.983  -8.823  -9.197
   95    HA   PRO  14           HA       PRO  14  -1.145 -12.678  -7.553
   96   1HB   PRO  14           HB2      PRO  14   0.547 -14.567  -8.608
   97   2HB   PRO  14           HB1      PRO  14  -0.641 -13.667  -9.568
   98   1HG   PRO  14           HG2      PRO  14   2.319 -13.320  -9.437
   99   2HG   PRO  14           HG1      PRO  14   1.206 -12.960 -10.766
  100   1HD   PRO  14           HD2      PRO  14   2.332 -11.071  -9.023
  101   2HD   PRO  14           HD1      PRO  14   0.948 -10.791 -10.065
  102    H    ALA  15           HN       ALA  15   1.377 -11.414  -6.105
  103    HA   ALA  15           HA       ALA  15   1.469 -13.413  -3.991
  104   1HB   ALA  15           HB1      ALA  15   3.969 -12.816  -5.604
  105   2HB   ALA  15           HB3      ALA  15   3.936 -13.719  -4.090
  106   3HB   ALA  15           HB2      ALA  15   3.135 -14.368  -5.521
  107    H    CYS  16           HN       CYS  16   1.039 -11.918  -2.404
  108    HA   CYS  16           HA       CYS  16   2.212  -9.240  -2.481
  109   1HB   CYS  16           HB2      CYS  16   0.554 -10.681  -0.388
  110   2HB   CYS  16           HB1      CYS  16   1.084  -9.010  -0.238
  111    H    THR  17           HN       THR  17   3.982  -8.530  -1.307
  112    HA   THR  17           HA       THR  17   6.030 -10.246  -0.508
  113    HB   THR  17           HB       THR  17   6.664  -8.310   1.108
  114    HG1  THR  17           HG1      THR  17   5.464  -6.433   0.740
  115   1HG2  THR  17          HG22      THR  17   7.041  -8.702  -1.580
  116   2HG2  THR  17          HG21      THR  17   6.300  -7.102  -1.555
  117   3HG2  THR  17          HG23      THR  17   7.782  -7.402  -0.648
  118    H    LEU  18           HN       LEU  18   6.786 -10.456   1.928
  119    HA   LEU  18           HA       LEU  18   4.371 -11.339   3.445
  120   1HB   LEU  18           HB2      LEU  18   7.227 -12.342   3.662
  121   2HB   LEU  18           HB1      LEU  18   5.844 -12.964   4.562
  122    HG   LEU  18           HG       LEU  18   5.138 -12.939   1.796
  123   1HD1  LEU  18          HD11      LEU  18   7.729 -12.936   1.634
  124   2HD1  LEU  18          HD13      LEU  18   7.627 -14.579   2.266
  125   3HD1  LEU  18          HD12      LEU  18   6.849 -14.172   0.735
  126   1HD2  LEU  18          HD22      LEU  18   5.566 -14.940   3.987
  127   2HD2  LEU  18          HD21      LEU  18   4.094 -14.563   3.090
  128   3HD2  LEU  18          HD23      LEU  18   5.360 -15.534   2.339
  129    H    GLU  19           HN       GLU  19   7.427  -9.556   3.690
  130    HA   GLU  19           HA       GLU  19   7.624  -9.155   6.433
  131   1HB   GLU  19           HB2      GLU  19   8.717  -7.065   5.985
  132   2HB   GLU  19           HB1      GLU  19   9.113  -8.142   4.648
  133   1HG   GLU  19           HG2      GLU  19   6.652  -6.620   4.167
  134   2HG   GLU  19           HG1      GLU  19   8.059  -5.594   4.415
  135    H    TYR  20           HN       TYR  20   6.566  -7.782   7.951
  136    HA   TYR  20           HA       TYR  20   3.824  -7.091   7.119
  137   1HB   TYR  20           HB2      TYR  20   4.323  -8.362   9.252
  138   2HB   TYR  20           HB1      TYR  20   5.000  -6.864   9.893
  139    HD1  TYR  20           HD2      TYR  20   2.054  -7.291   7.625
  140    HD2  TYR  20           HD1      TYR  20   3.438  -6.213  11.548
  141    HE1  TYR  20           HE2      TYR  20  -0.216  -6.488   8.201
  142    HE2  TYR  20           HE1      TYR  20   1.163  -5.414  12.127
  143    HH   TYR  20           HH       TYR  20  -0.878  -4.958  11.347
  144    H    ARG  21           HN       ARG  21   3.732  -5.163   6.112
  145    HA   ARG  21           HA       ARG  21   4.749  -2.796   7.616
  146   1HB   ARG  21           HB2      ARG  21   5.054  -3.406   4.668
  147   2HB   ARG  21           HB1      ARG  21   5.152  -1.761   5.297
  148   1HG   ARG  21           HG2      ARG  21   6.802  -3.979   6.494
  149   2HG   ARG  21           HG1      ARG  21   7.362  -3.097   5.073
  150   1HD   ARG  21           HD2      ARG  21   6.932  -0.956   6.403
  151   2HD   ARG  21           HD1      ARG  21   6.749  -1.989   7.821
  152    HE   ARG  21           HE       ARG  21   9.088  -2.266   7.836
  153   1HH1  ARG  21          HH21      ARG  21  10.233  -3.437   5.746
  154   2HH1  ARG  21          HH22      ARG  21  10.824  -2.218   4.668
  155   1HH2  ARG  21          HH11      ARG  21   8.870   0.305   6.021
  156   2HH2  ARG  21          HH12      ARG  21  10.052  -0.101   4.823
  157    HA   PRO  22           HA       PRO  22   0.261  -2.562   6.806
  158   1HB   PRO  22           HB2      PRO  22  -0.223  -1.169   9.154
  159   2HB   PRO  22           HB1      PRO  22  -0.224  -2.947   9.016
  160   1HG   PRO  22           HG2      PRO  22   1.864  -1.128  10.156
  161   2HG   PRO  22           HG1      PRO  22   1.465  -2.798  10.599
  162   1HD   PRO  22           HD2      PRO  22   3.657  -2.060   9.037
  163   2HD   PRO  22           HD1      PRO  22   2.933  -3.682   9.057
  164    H    LEU  23           HN       LEU  23  -0.038  -1.005   5.213
  165    HA   LEU  23           HA       LEU  23   0.915   1.750   5.822
  166   1HB   LEU  23           HB2      LEU  23  -0.215   0.772   3.198
  167   2HB   LEU  23           HB1      LEU  23   0.834   2.163   3.487
  168    HG   LEU  23           HG       LEU  23   1.938  -0.419   4.400
  169   1HD1  LEU  23          HD12      LEU  23   0.763  -1.077   2.316
  170   2HD1  LEU  23          HD11      LEU  23   1.655   0.177   1.451
  171   3HD1  LEU  23          HD13      LEU  23   2.518  -1.180   2.175
  172   1HD2  LEU  23          HD22      LEU  23   2.801   2.175   3.651
  173   2HD2  LEU  23          HD21      LEU  23   3.784   0.840   4.252
  174   3HD2  LEU  23          HD23      LEU  23   3.529   1.036   2.518
  175    H    CYS  24           HN       CYS  24  -0.584   3.074   6.672
  176    HA   CYS  24           HA       CYS  24  -3.442   2.390   6.392
  177   1HB   CYS  24           HB2      CYS  24  -1.887   4.404   8.007
  178   2HB   CYS  24           HB1      CYS  24  -3.638   4.512   7.881
  179    H    GLY  25           HN       GLY  25  -4.566   3.154   4.694
  180   1HA   GLY  25           HA2      GLY  25  -3.482   4.892   2.799
  181   2HA   GLY  25           HA1      GLY  25  -5.176   4.613   2.953
  182    H    SER  26           HN       SER  26  -5.359   6.942   2.398
  183    HA   SER  26           HA       SER  26  -4.659   8.789   4.608
  184   1HB   SER  26           HB2      SER  26  -4.412   9.362   2.108
  185   2HB   SER  26           HB1      SER  26  -6.167   9.506   2.085
  186    HG   SER  26           HG       SER  26  -5.880  10.983   3.900
  187    H    ASP  27           HN       ASP  27  -7.156   6.703   3.876
  188    HA   ASP  27           HA       ASP  27  -9.249   8.491   5.001
  189   1HB   ASP  27           HB2      ASP  27 -10.832   6.749   4.288
  190   2HB   ASP  27           HB1      ASP  27  -9.801   7.227   2.941
  191    H    ASN  28           HN       ASN  28  -7.324   5.674   5.695
  192    HA   ASN  28           HA       ASN  28  -6.851   5.238   8.105
  193   1HB   ASN  28           HB2      ASN  28  -8.788   6.596   8.900
  194   2HB   ASN  28           HB1      ASN  28  -9.871   5.311   8.368
  195   1HD2  ASN  28          HD22      ASN  28  -9.515   4.137  11.713
  196   2HD2  ASN  28          HD21      ASN  28 -10.540   4.952  10.634
  197    H    LYS  29           HN       LYS  29  -7.032   3.694   5.714
  198    HA   LYS  29           HA       LYS  29  -8.331   1.203   6.741
  199   1HB   LYS  29           HB2      LYS  29  -7.923   0.467   4.256
  200   2HB   LYS  29           HB1      LYS  29  -9.279   1.531   4.627
  201   1HG   LYS  29           HG2      LYS  29  -7.829   3.492   4.062
  202   2HG   LYS  29           HG1      LYS  29  -6.565   2.366   3.564
  203   1HD   LYS  29           HD2      LYS  29  -7.907   3.127   1.627
  204   2HD   LYS  29           HD1      LYS  29  -8.086   1.390   1.889
  205   1HE   LYS  29           HE2      LYS  29 -10.030   2.882   3.445
  206   2HE   LYS  29           HE1      LYS  29 -10.160   3.267   1.730
  207   1HZ   LYS  29           HZ3      LYS  29 -10.054   0.505   2.809
  208   2HZ   LYS  29           HZ2      LYS  29 -11.495   1.323   2.434
  209   3HZ   LYS  29           HZ1      LYS  29 -10.374   0.965   1.208
  210    H    THR  30           HN       THR  30  -6.928  -0.278   7.537
  211    HA   THR  30           HA       THR  30  -4.048   0.080   7.047
  212    HB   THR  30           HB       THR  30  -5.511  -1.957   8.750
  213    HG1  THR  30           HG1      THR  30  -5.079  -0.577  10.404
  214   1HG2  THR  30          HG21      THR  30  -2.620  -1.340   8.235
  215   2HG2  THR  30          HG23      THR  30  -3.108  -1.907   9.832
  216   3HG2  THR  30          HG22      THR  30  -3.412  -2.906   8.410
  217    H    TYR  31           HN       TYR  31  -2.994  -0.964   5.469
  218    HA   TYR  31           HA       TYR  31  -4.206  -3.457   4.353
  219   1HB   TYR  31           HB2      TYR  31  -2.349  -1.375   3.178
  220   2HB   TYR  31           HB1      TYR  31  -2.568  -2.955   2.427
  221    HD1  TYR  31           HD1      TYR  31  -4.199   0.228   3.302
  222    HD2  TYR  31           HD2      TYR  31  -4.705  -3.591   1.406
  223    HE1  TYR  31           HE1      TYR  31  -6.309   1.016   2.274
  224    HE2  TYR  31           HE2      TYR  31  -6.815  -2.802   0.376
  225    HH   TYR  31           HH       TYR  31  -7.701   0.437   0.255
  226    H    GLY  32           HN       GLY  32  -3.171  -5.319   4.875
  227   1HA   GLY  32           HA2      GLY  32  -1.277  -5.698   6.749
  228   2HA   GLY  32           HA1      GLY  32  -1.346  -6.771   5.366
  229    H    ASN  33           HN       ASN  33  -0.293  -5.457   3.297
  230    HA   ASN  33           HA       ASN  33   2.138  -4.068   4.258
  231   1HB   ASN  33           HB2      ASN  33   3.634  -5.481   2.926
  232   2HB   ASN  33           HB1      ASN  33   2.786  -6.420   4.126
  233   1HD2  ASN  33          HD22      ASN  33   2.396  -8.482   1.170
  234   2HD2  ASN  33          HD21      ASN  33   3.529  -8.136   2.383
  235    H    LYS  34           HN       LYS  34   3.499  -4.002   1.868
  236    HA   LYS  34           HA       LYS  34   2.194  -1.855   0.529
  237   1HB   LYS  34           HB2      LYS  34   4.117  -2.277  -1.113
  238   2HB   LYS  34           HB1      LYS  34   4.560  -1.881   0.535
  239   1HG   LYS  34           HG2      LYS  34   5.262  -4.034   1.006
  240   2HG   LYS  34           HG1      LYS  34   4.175  -4.767  -0.177
  241   1HD   LYS  34           HD2      LYS  34   6.691  -3.183  -0.793
  242   2HD   LYS  34           HD1      LYS  34   6.492  -4.926  -0.963
  243   1HE   LYS  34           HE2      LYS  34   5.972  -4.379  -3.122
  244   2HE   LYS  34           HE1      LYS  34   4.379  -4.066  -2.433
  245   1HZ   LYS  34           HZ2      LYS  34   5.949  -1.800  -2.015
  246   2HZ   LYS  34           HZ1      LYS  34   6.148  -2.251  -3.642
  247   3HZ   LYS  34           HZ3      LYS  34   4.594  -1.960  -3.028
  248    H    CYS  35           HN       CYS  35   2.397  -5.337  -0.264
  249    HA   CYS  35           HA       CYS  35   1.384  -5.015  -2.936
  250   1HB   CYS  35           HB2      CYS  35   2.376  -7.128  -2.346
  251   2HB   CYS  35           HB1      CYS  35   1.272  -7.332  -0.990
  252    H    ASN  36           HN       ASN  36  -0.075  -4.997   0.219
  253    HA   ASN  36           HA       ASN  36  -2.803  -5.339  -0.820
  254   1HB   ASN  36           HB2      ASN  36  -1.536  -5.028   1.876
  255   2HB   ASN  36           HB1      ASN  36  -3.256  -4.685   1.704
  256   1HD2  ASN  36          HD22      ASN  36  -1.920  -8.539   1.378
  257   2HD2  ASN  36          HD21      ASN  36  -0.813  -7.255   1.424
  258    H    PHE  37           HN       PHE  37  -0.823  -2.677   0.499
  259    HA   PHE  37           HA       PHE  37  -2.976  -0.725   0.372
  260   1HB   PHE  37           HB2      PHE  37  -0.921  -0.516   1.763
  261   2HB   PHE  37           HB1      PHE  37   0.008  -0.180   0.424
  262    HD1  PHE  37           HD1      PHE  37  -3.233   1.059   1.818
  263    HD2  PHE  37           HD2      PHE  37   0.413   1.852  -0.258
  264    HE1  PHE  37           HE1      PHE  37  -3.883   3.453   1.624
  265    HE2  PHE  37           HE2      PHE  37  -0.214   4.240  -0.479
  266    HZ   PHE  37           HZ       PHE  37  -2.368   5.054   0.465
  267    H    CYS  38           HN       CYS  38  -0.418  -1.765  -1.600
  268    HA   CYS  38           HA       CYS  38  -0.675   0.349  -3.578
  269   1HB   CYS  38           HB2      CYS  38   1.458  -0.629  -3.598
  270   2HB   CYS  38           HB1      CYS  38   0.819  -2.268  -3.519
  271    H    ASN  39           HN       ASN  39  -1.724  -3.097  -3.512
  272    HA   ASN  39           HA       ASN  39  -2.898  -3.130  -6.074
  273   1HB   ASN  39           HB2      ASN  39  -3.865  -4.426  -3.496
  274   2HB   ASN  39           HB1      ASN  39  -4.539  -4.787  -5.086
  275   1HD2  ASN  39          HD22      ASN  39  -2.026  -7.376  -4.868
  276   2HD2  ASN  39          HD21      ASN  39  -3.641  -7.054  -4.457
  277    H    ALA  40           HN       ALA  40  -4.242  -1.958  -2.989
  278    HA   ALA  40           HA       ALA  40  -6.796  -1.161  -4.006
  279   1HB   ALA  40           HB3      ALA  40  -6.158  -1.313  -1.568
  280   2HB   ALA  40           HB2      ALA  40  -5.209   0.159  -1.776
  281   3HB   ALA  40           HB1      ALA  40  -6.959   0.198  -1.994
  282    H    VAL  41           HN       VAL  41  -3.632   0.347  -3.987
  283    HA   VAL  41           HA       VAL  41  -4.474   2.974  -4.830
  284    HB   VAL  41           HB       VAL  41  -1.839   1.491  -4.961
  285   1HG1  VAL  41          HG13      VAL  41  -2.465   4.352  -5.750
  286   2HG1  VAL  41          HG12      VAL  41  -0.837   3.712  -5.525
  287   3HG1  VAL  41          HG11      VAL  41  -1.865   3.077  -6.810
  288   1HG2  VAL  41          HG21      VAL  41  -2.988   2.391  -2.776
  289   2HG2  VAL  41          HG23      VAL  41  -1.271   2.690  -3.038
  290   3HG2  VAL  41          HG22      VAL  41  -2.447   3.963  -3.364
  291    H    VAL  42           HN       VAL  42  -3.399   0.075  -6.598
  292    HA   VAL  42           HA       VAL  42  -3.592   1.473  -9.147
  293    HB   VAL  42           HB       VAL  42  -1.786  -0.032  -9.059
  294   1HG1  VAL  42          HG11      VAL  42  -3.669  -1.747  -7.538
  295   2HG1  VAL  42          HG13      VAL  42  -2.441  -2.558  -8.510
  296   3HG1  VAL  42          HG12      VAL  42  -1.961  -1.415  -7.255
  297   1HG2  VAL  42          HG23      VAL  42  -4.080  -1.491 -10.372
  298   2HG2  VAL  42          HG22      VAL  42  -3.053  -0.271 -11.126
  299   3HG2  VAL  42          HG21      VAL  42  -2.372  -1.828 -10.650
  300    H    GLU  43           HN       GLU  43  -5.759  -0.224  -7.126
  301    HA   GLU  43           HA       GLU  43  -7.446  -1.100  -9.372
  302   1HB   GLU  43           HB2      GLU  43  -8.920  -1.856  -7.448
  303   2HB   GLU  43           HB1      GLU  43  -7.411  -2.697  -7.571
  304   1HG   GLU  43           HG2      GLU  43  -6.988  -2.112  -5.482
  305   2HG   GLU  43           HG1      GLU  43  -7.015  -0.416  -5.958
  306    H    SER  44           HN       SER  44  -6.979   1.554  -7.264
  307    HA   SER  44           HA       SER  44  -9.753   2.546  -7.744
  308   1HB   SER  44           HB2      SER  44  -9.238   2.677  -5.431
  309   2HB   SER  44           HB1      SER  44  -7.609   3.268  -5.746
  310    HG   SER  44           HG       SER  44  -9.093   4.924  -5.101
  311    H    ASN  45           HN       ASN  45  -7.516   2.559  -9.760
  312    HA   ASN  45           HA       ASN  45  -6.833   4.054 -11.440
  313   1HB   ASN  45           HB2      ASN  45  -9.104   5.384 -10.171
  314   2HB   ASN  45           HB1      ASN  45  -7.890   6.534 -10.712
  315   1HD2  ASN  45          HD22      ASN  45 -10.223   4.751 -13.448
  316   2HD2  ASN  45          HD21      ASN  45 -10.510   4.635 -11.779
  317    H    GLY  46           HN       GLY  46  -5.865   4.008  -8.390
  318   1HA   GLY  46           HA2      GLY  46  -3.926   4.847  -7.371
  319   2HA   GLY  46           HA1      GLY  46  -3.564   5.718  -8.853
  320    H    THR  47           HN       THR  47  -6.716   6.257  -7.653
  321    HA   THR  47           HA       THR  47  -6.044   9.035  -7.021
  322    HB   THR  47           HB       THR  47  -8.204   8.229  -8.153
  323    HG1  THR  47           HG1      THR  47  -7.754  10.175  -6.405
  324   1HG2  THR  47          HG22      THR  47  -8.337   6.578  -5.951
  325   2HG2  THR  47          HG21      THR  47  -9.480   7.856  -5.538
  326   3HG2  THR  47          HG23      THR  47  -9.683   6.938  -7.030
  327    H    LEU  48           HN       LEU  48  -6.124   6.085  -5.320
  328    HA   LEU  48           HA       LEU  48  -6.874   7.157  -2.740
  329   1HB   LEU  48           HB2      LEU  48  -7.332   4.854  -3.059
  330   2HB   LEU  48           HB1      LEU  48  -5.743   4.549  -3.755
  331    HG   LEU  48           HG       LEU  48  -5.199   5.581  -1.224
  332   1HD1  LEU  48          HD11      LEU  48  -7.693   5.159  -0.857
  333   2HD1  LEU  48          HD13      LEU  48  -7.288   3.444  -0.940
  334   3HD1  LEU  48          HD12      LEU  48  -6.578   4.459   0.317
  335   1HD2  LEU  48          HD23      LEU  48  -4.815   3.173  -2.743
  336   2HD2  LEU  48          HD22      LEU  48  -3.829   3.807  -1.425
  337   3HD2  LEU  48          HD21      LEU  48  -5.197   2.750  -1.073
  338    H    THR  49           HN       THR  49  -5.526   8.281  -1.461
  339    HA   THR  49           HA       THR  49  -2.575   7.918  -1.820
  340    HB   THR  49           HB       THR  49  -2.231  10.193  -1.442
  341    HG1  THR  49           HG1      THR  49  -3.148  10.689   0.400
  342   1HG2  THR  49          HG23      THR  49  -4.986   9.964  -2.671
  343   2HG2  THR  49          HG22      THR  49  -4.094  11.484  -2.591
  344   3HG2  THR  49          HG21      THR  49  -3.442  10.126  -3.508
  345    H    LEU  50           HN       LEU  50  -1.370   7.877   0.247
  346    HA   LEU  50           HA       LEU  50  -3.163   6.921   2.392
  347   1HB   LEU  50           HB2      LEU  50  -1.651   5.296   2.718
  348   2HB   LEU  50           HB1      LEU  50  -0.856   5.859   1.261
  349    HG   LEU  50           HG       LEU  50  -0.119   7.308   3.750
  350   1HD1  LEU  50          HD11      LEU  50   0.077   4.387   3.386
  351   2HD1  LEU  50          HD13      LEU  50   1.544   5.200   3.930
  352   3HD1  LEU  50          HD12      LEU  50   0.058   5.342   4.870
  353   1HD2  LEU  50          HD22      LEU  50   1.173   6.272   1.239
  354   2HD2  LEU  50          HD21      LEU  50   1.161   7.916   1.879
  355   3HD2  LEU  50          HD23      LEU  50   2.174   6.685   2.631
  356    H    SER  51           HN       SER  51  -2.122   7.366   4.714
  357    HA   SER  51           HA       SER  51  -1.503  10.278   4.765
  358   1HB   SER  51           HB2      SER  51  -3.461   8.667   6.259
  359   2HB   SER  51           HB1      SER  51  -2.374   9.549   7.279
  360    HG   SER  51           HG       SER  51  -4.031  10.920   6.797
  361    H    HIS  52           HN       HIS  52  -0.886   7.137   6.334
  362    HA   HIS  52           HA       HIS  52   1.837   8.066   6.982
  363   1HB   HIS  52           HB2      HIS  52   1.619   7.575   9.364
  364   2HB   HIS  52           HB1      HIS  52   0.426   8.786   8.900
  365    HD1  HIS  52           HD1      HIS  52   0.551   6.035  10.996
  366    HD2  HIS  52           HD2      HIS  52  -2.087   7.027   7.913
  367    HE1  HIS  52           HE1      HIS  52  -1.572   4.719  11.412
  368    H    PHE  53           HN       PHE  53   3.273   6.391   6.918
  369    HA   PHE  53           HA       PHE  53   2.345   3.770   6.095
  370   1HB   PHE  53           HB2      PHE  53   5.118   4.626   6.977
  371   2HB   PHE  53           HB1      PHE  53   4.704   3.171   6.074
  372    HD1  PHE  53           HD2      PHE  53   4.786   6.883   5.925
  373    HD2  PHE  53           HD1      PHE  53   4.318   3.235   3.709
  374    HE1  PHE  53           HE2      PHE  53   4.939   8.153   3.801
  375    HE2  PHE  53           HE1      PHE  53   4.471   4.504   1.585
  376    HZ   PHE  53           HZ       PHE  53   4.782   6.964   1.632
  377    H    GLY  54           HN       GLY  54   1.444   2.435   7.565
  378   1HA   GLY  54           HA2      GLY  54   2.528   1.034   9.565
  379   2HA   GLY  54           HA1      GLY  54   2.219   2.549  10.384
  380    H    LYS  55           HN       LYS  55   0.807   0.767  11.537
  381    HA   LYS  55           HA       LYS  55  -1.720   0.206  10.276
  382   1HB   LYS  55           HB2      LYS  55  -0.837  -1.461  11.759
  383   2HB   LYS  55           HB1      LYS  55  -0.435  -0.245  12.964
  384   1HG   LYS  55           HG2      LYS  55  -2.412  -0.311  13.865
  385   2HG   LYS  55           HG1      LYS  55  -3.191  -0.099  12.310
  386   1HD   LYS  55           HD2      LYS  55  -3.851  -2.257  12.345
  387   2HD   LYS  55           HD1      LYS  55  -2.157  -2.747  12.367
  388   1HE   LYS  55           HE2      LYS  55  -2.131  -2.508  14.832
  389   2HE   LYS  55           HE1      LYS  55  -3.838  -2.066  14.797
  390   1HZ   LYS  55           HZ2      LYS  55  -3.618  -4.391  13.328
  391   2HZ   LYS  55           HZ1      LYS  55  -2.663  -4.640  14.712
  392   3HZ   LYS  55           HZ3      LYS  55  -4.297  -4.217  14.876
  393    H    CYS  56           HN       CYS  56  -3.685   1.176  10.991
  394    HA   CYS  56           HA       CYS  56  -3.373   3.958  11.778
  395   1HB   CYS  56           HB2      CYS  56  -6.068   2.702  11.526
  396   2HB   CYS  56           HB1      CYS  56  -5.506   4.273  10.968
   
  No H/Q in entry =         396
  Start of MODEL           7
 Raw file had  401 H/Q atoms
  Start of MODEL    7
    1   1H    LEU   1           HT3      LEU   1  13.249   9.353  -3.190
    2   2H    LEU   1           HT2      LEU   1  13.268   7.772  -3.805
    3   3H    LEU   1           HT1      LEU   1  11.814   8.461  -3.270
    4    HA   LEU   1           HA       LEU   1  12.430   7.032  -1.564
    5   1HB   LEU   1           HB2      LEU   1  14.761   7.246  -0.536
    6   2HB   LEU   1           HB1      LEU   1  14.670   6.468  -2.110
    7    HG   LEU   1           HG       LEU   1  16.545   8.147  -1.844
    8   1HD1  LEU   1          HD11      LEU   1  15.069   7.516  -4.030
    9   2HD1  LEU   1          HD13      LEU   1  14.867   9.268  -4.008
   10   3HD1  LEU   1          HD12      LEU   1  16.481   8.568  -4.075
   11   1HD2  LEU   1          HD23      LEU   1  15.024   9.763  -0.544
   12   2HD2  LEU   1          HD22      LEU   1  16.098  10.471  -1.751
   13   3HD2  LEU   1          HD21      LEU   1  14.390  10.244  -2.115
   14    H    ALA   2           HN       ALA   2  11.514   9.872  -1.919
   15    HA   ALA   2           HA       ALA   2  12.059  10.765   0.885
   16   1HB   ALA   2           HB1      ALA   2  12.664  12.145  -1.477
   17   2HB   ALA   2           HB3      ALA   2  11.186  12.903  -0.884
   18   3HB   ALA   2           HB2      ALA   2  12.612  12.824   0.150
   19    H    ALA   3           HN       ALA   3  10.173  12.581   1.328
   20    HA   ALA   3           HA       ALA   3   7.899  12.767   1.890
   21   1HB   ALA   3           HB1      ALA   3   7.738  11.743  -0.957
   22   2HB   ALA   3           HB3      ALA   3   6.329  12.278  -0.042
   23   3HB   ALA   3           HB2      ALA   3   7.624  13.418  -0.414
   24    H    VAL   4           HN       VAL   4   5.738  11.353   1.849
   25    HA   VAL   4           HA       VAL   4   6.565   8.566   2.556
   26    HB   VAL   4           HB       VAL   4   4.445   8.622   3.977
   27   1HG1  VAL   4          HG12      VAL   4   6.968  10.130   4.418
   28   2HG1  VAL   4          HG11      VAL   4   5.660  10.447   5.558
   29   3HG1  VAL   4          HG13      VAL   4   6.273   8.806   5.351
   30   1HG2  VAL   4          HG21      VAL   4   3.769  10.807   2.601
   31   2HG2  VAL   4          HG23      VAL   4   3.273  10.599   4.281
   32   3HG2  VAL   4          HG22      VAL   4   4.668  11.606   3.890
   33    H    SER   5           HN       SER   5   6.238   7.897   0.316
   34    HA   SER   5           HA       SER   5   3.381   7.336  -0.251
   35   1HB   SER   5           HB2      SER   5   5.108   9.151  -1.800
   36   2HB   SER   5           HB1      SER   5   4.318   7.912  -2.771
   37    HG   SER   5           HG       SER   5   2.692   9.252  -2.641
   38    H    VAL   6           HN       VAL   6   3.111   5.486  -1.649
   39    HA   VAL   6           HA       VAL   6   5.603   3.849  -1.911
   40    HB   VAL   6           HB       VAL   6   2.864   2.628  -1.928
   41   1HG1  VAL   6          HG13      VAL   6   5.165   1.455  -2.296
   42   2HG1  VAL   6          HG12      VAL   6   5.353   1.638  -0.552
   43   3HG1  VAL   6          HG11      VAL   6   4.003   0.705  -1.201
   44   1HG2  VAL   6          HG22      VAL   6   2.960   4.226   0.010
   45   2HG2  VAL   6          HG21      VAL   6   2.828   2.537   0.501
   46   3HG2  VAL   6          HG23      VAL   6   4.384   3.364   0.592
   47    H    ASP   7           HN       ASP   7   5.866   2.639  -3.867
   48    HA   ASP   7           HA       ASP   7   4.388   3.808  -6.166
   49   1HB   ASP   7           HB2      ASP   7   6.947   3.706  -6.066
   50   2HB   ASP   7           HB1      ASP   7   6.784   1.963  -6.288
   51    H    CYS   8           HN       CYS   8   2.838   2.630  -7.185
   52    HA   CYS   8           HA       CYS   8   2.981  -0.334  -7.054
   53   1HB   CYS   8           HB2      CYS   8   0.342   1.040  -6.588
   54   2HB   CYS   8           HB1      CYS   8   0.813  -0.610  -6.190
   55    H    SER   9           HN       SER   9   3.681   0.986  -9.299
   56    HA   SER   9           HA       SER   9   1.305   1.322 -11.022
   57   1HB   SER   9           HB2      SER   9   3.812   2.499 -10.998
   58   2HB   SER   9           HB1      SER   9   3.926   1.361 -12.337
   59    HG   SER   9           HG       SER   9   1.576   2.825 -12.155
   60    H    GLU  10           HN       GLU  10   2.424  -1.344  -9.868
   61    HA   GLU  10           HA       GLU  10   2.232  -2.803 -12.462
   62   1HB   GLU  10           HB2      GLU  10   4.061  -4.262 -11.865
   63   2HB   GLU  10           HB1      GLU  10   4.621  -2.598 -11.718
   64   1HG   GLU  10           HG2      GLU  10   3.457  -3.982  -9.319
   65   2HG   GLU  10           HG1      GLU  10   5.130  -4.288  -9.781
   66    H    TYR  11           HN       TYR  11   0.839  -2.295  -9.601
   67    HA   TYR  11           HA       TYR  11   0.326  -5.036  -8.770
   68   1HB   TYR  11           HB2      TYR  11  -0.528  -2.289  -7.863
   69   2HB   TYR  11           HB1      TYR  11  -1.244  -3.734  -7.162
   70    HD1  TYR  11           HD1      TYR  11   0.167  -5.377  -5.936
   71    HD2  TYR  11           HD2      TYR  11   1.783  -1.712  -7.479
   72    HE1  TYR  11           HE1      TYR  11   2.198  -5.688  -4.539
   73    HE2  TYR  11           HE2      TYR  11   3.807  -2.011  -6.077
   74    HH   TYR  11           HH       TYR  11   4.975  -3.539  -4.838
   75    HA   PRO  12           HA       PRO  12  -1.611  -5.453  -7.352
   76   1HB   PRO  12           HB2      PRO  12  -3.009  -7.808  -7.546
   77   2HB   PRO  12           HB1      PRO  12  -3.761  -6.257  -7.136
   78   1HG   PRO  12           HG2      PRO  12  -3.855  -7.762  -9.715
   79   2HG   PRO  12           HG1      PRO  12  -5.042  -6.643  -9.025
   80   1HD   PRO  12           HD2      PRO  12  -3.182  -6.015 -11.045
   81   2HD   PRO  12           HD1      PRO  12  -4.127  -4.869 -10.139
   82    H    LYS  13           HN       LYS  13  -0.968  -7.897  -6.662
   83    HA   LYS  13           HA       LYS  13   0.821  -9.050  -8.750
   84   1HB   LYS  13           HB2      LYS  13   1.648  -7.578  -6.438
   85   2HB   LYS  13           HB1      LYS  13   2.094  -9.267  -6.200
   86   1HG   LYS  13           HG2      LYS  13   3.216  -9.299  -8.387
   87   2HG   LYS  13           HG1      LYS  13   2.747  -7.618  -8.655
   88   1HD   LYS  13           HD2      LYS  13   4.044  -6.919  -6.691
   89   2HD   LYS  13           HD1      LYS  13   4.494  -8.596  -6.378
   90   1HE   LYS  13           HE2      LYS  13   6.351  -7.812  -7.565
   91   2HE   LYS  13           HE1      LYS  13   5.380  -8.539  -8.845
   92   1HZ   LYS  13           HZ1      LYS  13   5.274  -5.669  -8.100
   93   2HZ   LYS  13           HZ3      LYS  13   6.208  -6.286  -9.374
   94   3HZ   LYS  13           HZ2      LYS  13   4.514  -6.408  -9.427
   95    HA   PRO  14           HA       PRO  14  -0.940 -12.778  -7.135
   96   1HB   PRO  14           HB2      PRO  14   0.727 -14.525  -8.443
   97   2HB   PRO  14           HB1      PRO  14  -0.608 -13.666  -9.232
   98   1HG   PRO  14           HG2      PRO  14   2.323 -13.158  -9.420
   99   2HG   PRO  14           HG1      PRO  14   1.045 -12.801 -10.593
  100   1HD   PRO  14           HD2      PRO  14   2.277 -10.928  -8.889
  101   2HD   PRO  14           HD1      PRO  14   0.781 -10.680  -9.776
  102    H    ALA  15           HN       ALA  15   1.665 -11.418  -5.932
  103    HA   ALA  15           HA       ALA  15   2.141 -13.533  -3.962
  104   1HB   ALA  15           HB3      ALA  15   4.100 -12.866  -6.105
  105   2HB   ALA  15           HB2      ALA  15   4.746 -13.061  -4.474
  106   3HB   ALA  15           HB1      ALA  15   3.858 -14.381  -5.236
  107    H    CYS  16           HN       CYS  16   1.609 -12.122  -2.292
  108    HA   CYS  16           HA       CYS  16   2.801  -9.419  -2.247
  109   1HB   CYS  16           HB2      CYS  16   0.885 -10.812  -0.352
  110   2HB   CYS  16           HB1      CYS  16   1.426  -9.145  -0.179
  111    H    THR  17           HN       THR  17   4.547  -8.876  -0.996
  112    HA   THR  17           HA       THR  17   6.316 -10.753   0.079
  113    HB   THR  17           HB       THR  17   6.793  -8.654   1.731
  114    HG1  THR  17           HG1      THR  17   5.037  -7.461   1.117
  115   1HG2  THR  17          HG21      THR  17   7.554  -9.402  -1.017
  116   2HG2  THR  17          HG23      THR  17   7.864  -7.716  -0.606
  117   3HG2  THR  17          HG22      THR  17   8.573  -9.005   0.366
  118    H    LEU  18           HN       LEU  18   6.831 -10.993   2.520
  119    HA   LEU  18           HA       LEU  18   4.244 -11.529   3.895
  120   1HB   LEU  18           HB2      LEU  18   6.968 -12.564   4.714
  121   2HB   LEU  18           HB1      LEU  18   5.386 -13.189   5.180
  122    HG   LEU  18           HG       LEU  18   5.403 -13.220   2.365
  123   1HD1  LEU  18          HD13      LEU  18   8.047 -13.986   3.585
  124   2HD1  LEU  18          HD12      LEU  18   7.460 -14.815   2.144
  125   3HD1  LEU  18          HD11      LEU  18   7.733 -13.073   2.110
  126   1HD2  LEU  18          HD22      LEU  18   4.650 -14.859   4.381
  127   2HD2  LEU  18          HD21      LEU  18   4.788 -15.405   2.710
  128   3HD2  LEU  18          HD23      LEU  18   6.104 -15.702   3.847
  129    H    GLU  19           HN       GLU  19   7.295  -9.783   4.223
  130    HA   GLU  19           HA       GLU  19   7.360  -9.112   6.911
  131   1HB   GLU  19           HB2      GLU  19   7.775  -7.298   4.517
  132   2HB   GLU  19           HB1      GLU  19   8.182  -6.838   6.171
  133   1HG   GLU  19           HG2      GLU  19  10.103  -8.010   6.088
  134   2HG   GLU  19           HG1      GLU  19   9.246  -9.462   5.566
  135    H    TYR  20           HN       TYR  20   5.896  -8.184   8.293
  136    HA   TYR  20           HA       TYR  20   3.357  -7.245   7.206
  137   1HB   TYR  20           HB2      TYR  20   3.577  -8.554   9.357
  138   2HB   TYR  20           HB1      TYR  20   4.273  -7.104  10.085
  139    HD1  TYR  20           HD2      TYR  20   1.526  -7.407   7.561
  140    HD2  TYR  20           HD1      TYR  20   2.616  -6.310  11.571
  141    HE1  TYR  20           HE2      TYR  20  -0.747  -6.489   7.924
  142    HE2  TYR  20           HE1      TYR  20   0.341  -5.393  11.936
  143    HH   TYR  20           HH       TYR  20  -1.945  -5.051   9.319
  144    H    ARG  21           HN       ARG  21   4.079  -5.385   6.014
  145    HA   ARG  21           HA       ARG  21   4.810  -3.052   7.740
  146   1HB   ARG  21           HB2      ARG  21   5.073  -3.069   4.736
  147   2HB   ARG  21           HB1      ARG  21   5.950  -2.096   5.915
  148   1HG   ARG  21           HG2      ARG  21   7.389  -3.842   6.488
  149   2HG   ARG  21           HG1      ARG  21   6.259  -5.085   5.951
  150   1HD   ARG  21           HD2      ARG  21   7.892  -5.072   4.255
  151   2HD   ARG  21           HD1      ARG  21   6.600  -4.075   3.587
  152    HE   ARG  21           HE       ARG  21   8.521  -2.469   5.037
  153   1HH1  ARG  21          HH11      ARG  21   7.507  -1.238   2.698
  154   2HH1  ARG  21          HH12      ARG  21   8.705  -1.516   1.478
  155   1HH2  ARG  21          HH21      ARG  21  10.237  -4.107   3.198
  156   2HH2  ARG  21          HH22      ARG  21  10.249  -3.142   1.760
  157    HA   PRO  22           HA       PRO  22   0.406  -2.675   6.451
  158   1HB   PRO  22           HB2      PRO  22  -0.313  -1.377   8.786
  159   2HB   PRO  22           HB1      PRO  22  -0.351  -3.139   8.561
  160   1HG   PRO  22           HG2      PRO  22   1.671  -1.453   9.998
  161   2HG   PRO  22           HG1      PRO  22   1.134  -3.106  10.350
  162   1HD   PRO  22           HD2      PRO  22   3.532  -2.503   9.092
  163   2HD   PRO  22           HD1      PRO  22   2.678  -4.050   8.905
  164    H    LEU  23           HN       LEU  23  -0.184  -0.999   5.184
  165    HA   LEU  23           HA       LEU  23   0.982   1.679   5.817
  166   1HB   LEU  23           HB2      LEU  23   0.026   0.773   3.105
  167   2HB   LEU  23           HB1      LEU  23   1.068   2.145   3.493
  168    HG   LEU  23           HG       LEU  23   2.144  -0.363   4.521
  169   1HD1  LEU  23          HD11      LEU  23   0.930  -1.181   2.481
  170   2HD1  LEU  23          HD13      LEU  23   1.911  -0.079   1.518
  171   3HD1  LEU  23          HD12      LEU  23   2.676  -1.397   2.408
  172   1HD2  LEU  23          HD22      LEU  23   3.163   1.717   2.568
  173   2HD2  LEU  23          HD21      LEU  23   3.394   1.744   4.317
  174   3HD2  LEU  23          HD23      LEU  23   4.144   0.475   3.348
  175    H    CYS  24           HN       CYS  24  -0.466   3.168   6.402
  176    HA   CYS  24           HA       CYS  24  -3.334   2.602   6.258
  177   1HB   CYS  24           HB2      CYS  24  -2.664   3.759   8.224
  178   2HB   CYS  24           HB1      CYS  24  -1.648   4.855   7.316
  179    H    GLY  25           HN       GLY  25  -4.746   3.440   4.738
  180   1HA   GLY  25           HA2      GLY  25  -3.693   4.719   2.365
  181   2HA   GLY  25           HA1      GLY  25  -5.340   4.466   2.710
  182    H    SER  26           HN       SER  26  -5.167   6.879   1.706
  183    HA   SER  26           HA       SER  26  -4.535   8.773   3.913
  184   1HB   SER  26           HB2      SER  26  -3.880   9.490   1.701
  185   2HB   SER  26           HB1      SER  26  -5.496   9.193   1.070
  186    HG   SER  26           HG       SER  26  -4.791  11.440   1.777
  187    H    ASP  27           HN       ASP  27  -6.814   6.784   3.986
  188    HA   ASP  27           HA       ASP  27  -8.916   8.731   4.759
  189   1HB   ASP  27           HB2      ASP  27 -10.646   7.513   3.598
  190   2HB   ASP  27           HB1      ASP  27  -9.372   7.848   2.423
  191    H    ASN  28           HN       ASN  28  -6.913   6.570   5.874
  192    HA   ASN  28           HA       ASN  28  -6.970   5.435   7.955
  193   1HB   ASN  28           HB2      ASN  28  -9.120   6.830   8.359
  194   2HB   ASN  28           HB1      ASN  28  -9.977   5.386   7.827
  195   1HD2  ASN  28          HD22      ASN  28  -9.381   3.612  10.830
  196   2HD2  ASN  28          HD21      ASN  28 -10.052   3.575   9.270
  197    H    LYS  29           HN       LYS  29  -7.042   4.259   5.219
  198    HA   LYS  29           HA       LYS  29  -8.442   1.685   5.806
  199   1HB   LYS  29           HB2      LYS  29  -8.556   3.176   3.537
  200   2HB   LYS  29           HB1      LYS  29  -7.211   2.104   3.144
  201   1HG   LYS  29           HG2      LYS  29  -8.562   0.143   3.583
  202   2HG   LYS  29           HG1      LYS  29  -9.886   1.138   4.188
  203   1HD   LYS  29           HD2      LYS  29  -8.837   1.575   1.404
  204   2HD   LYS  29           HD1      LYS  29  -9.977   0.267   1.720
  205   1HE   LYS  29           HE2      LYS  29 -11.105   2.402   3.071
  206   2HE   LYS  29           HE1      LYS  29 -10.444   3.158   1.621
  207   1HZ   LYS  29           HZ1      LYS  29 -11.564   1.422   0.308
  208   2HZ   LYS  29           HZ3      LYS  29 -12.282   0.829   1.726
  209   3HZ   LYS  29           HZ2      LYS  29 -12.655   2.393   1.176
  210    H    THR  30           HN       THR  30  -6.861   0.720   7.152
  211    HA   THR  30           HA       THR  30  -4.051   0.675   6.493
  212    HB   THR  30           HB       THR  30  -5.772  -0.941   8.382
  213    HG1  THR  30           HG1      THR  30  -5.325   0.834   9.412
  214   1HG2  THR  30          HG21      THR  30  -3.114  -1.588   7.338
  215   2HG2  THR  30          HG23      THR  30  -3.120  -1.412   9.093
  216   3HG2  THR  30          HG22      THR  30  -4.199  -2.572   8.319
  217    H    TYR  31           HN       TYR  31  -2.861  -0.872   5.430
  218    HA   TYR  31           HA       TYR  31  -4.365  -3.140   4.200
  219   1HB   TYR  31           HB2      TYR  31  -2.413  -1.210   2.986
  220   2HB   TYR  31           HB1      TYR  31  -2.488  -2.862   2.369
  221    HD1  TYR  31           HD1      TYR  31  -4.628   0.100   3.168
  222    HD2  TYR  31           HD2      TYR  31  -4.209  -3.509   0.883
  223    HE1  TYR  31           HE1      TYR  31  -6.685   0.661   1.901
  224    HE2  TYR  31           HE2      TYR  31  -6.263  -2.952  -0.383
  225    HH   TYR  31           HH       TYR  31  -8.424  -1.445   0.194
  226    H    GLY  32           HN       GLY  32  -3.374  -5.137   4.419
  227   1HA   GLY  32           HA2      GLY  32  -1.750  -5.714   6.513
  228   2HA   GLY  32           HA1      GLY  32  -1.700  -6.695   5.066
  229    H    ASN  33           HN       ASN  33  -0.424  -5.200   3.216
  230    HA   ASN  33           HA       ASN  33   1.905  -3.929   4.467
  231   1HB   ASN  33           HB2      ASN  33   3.549  -5.408   3.342
  232   2HB   ASN  33           HB1      ASN  33   2.578  -6.257   4.511
  233   1HD2  ASN  33          HD22      ASN  33   2.450  -8.525   1.686
  234   2HD2  ASN  33          HD21      ASN  33   3.469  -8.093   2.971
  235    H    LYS  34           HN       LYS  34   3.532  -4.137   2.078
  236    HA   LYS  34           HA       LYS  34   2.427  -1.925   0.627
  237   1HB   LYS  34           HB2      LYS  34   4.432  -2.516  -0.902
  238   2HB   LYS  34           HB1      LYS  34   4.771  -1.955   0.724
  239   1HG   LYS  34           HG2      LYS  34   5.606  -3.975   1.363
  240   2HG   LYS  34           HG1      LYS  34   4.381  -4.872   0.469
  241   1HD   LYS  34           HD2      LYS  34   6.798  -3.508  -0.754
  242   2HD   LYS  34           HD1      LYS  34   6.627  -5.244  -0.487
  243   1HE   LYS  34           HE2      LYS  34   4.298  -4.548  -1.850
  244   2HE   LYS  34           HE1      LYS  34   5.552  -3.589  -2.638
  245   1HZ   LYS  34           HZ1      LYS  34   6.759  -5.971  -2.352
  246   2HZ   LYS  34           HZ3      LYS  34   5.155  -6.449  -2.624
  247   3HZ   LYS  34           HZ2      LYS  34   5.951  -5.466  -3.759
  248    H    CYS  35           HN       CYS  35   2.717  -5.405  -0.129
  249    HA   CYS  35           HA       CYS  35   1.873  -5.143  -2.829
  250   1HB   CYS  35           HB2      CYS  35   2.896  -7.207  -2.100
  251   2HB   CYS  35           HB1      CYS  35   1.637  -7.452  -0.890
  252    H    ASN  36           HN       ASN  36   0.058  -5.435   0.196
  253    HA   ASN  36           HA       ASN  36  -2.500  -5.686  -1.196
  254   1HB   ASN  36           HB2      ASN  36  -1.647  -5.361   1.669
  255   2HB   ASN  36           HB1      ASN  36  -3.330  -5.084   1.228
  256   1HD2  ASN  36          HD22      ASN  36  -1.825  -8.875   1.192
  257   2HD2  ASN  36          HD21      ASN  36  -0.801  -7.542   1.420
  258    H    PHE  37           HN       PHE  37  -0.969  -3.126   0.774
  259    HA   PHE  37           HA       PHE  37  -2.860  -1.080   0.395
  260   1HB   PHE  37           HB2      PHE  37  -0.743  -1.005   1.755
  261   2HB   PHE  37           HB1      PHE  37   0.129  -0.588   0.372
  262    HD1  PHE  37           HD1      PHE  37  -2.940   0.528   2.168
  263    HD2  PHE  37           HD2      PHE  37   0.342   1.469  -0.390
  264    HE1  PHE  37           HE1      PHE  37  -3.662   2.872   2.139
  265    HE2  PHE  37           HE2      PHE  37  -0.354   3.836  -0.452
  266    HZ   PHE  37           HZ       PHE  37  -2.360   4.579   0.819
  267    H    CYS  38           HN       CYS  38  -0.411  -2.298  -1.612
  268    HA   CYS  38           HA       CYS  38  -0.567  -0.150  -3.573
  269   1HB   CYS  38           HB2      CYS  38   0.815  -2.809  -3.440
  270   2HB   CYS  38           HB1      CYS  38   0.618  -2.037  -5.007
  271    H    ASN  39           HN       ASN  39  -1.936  -3.431  -3.266
  272    HA   ASN  39           HA       ASN  39  -3.109  -3.619  -5.838
  273   1HB   ASN  39           HB2      ASN  39  -4.232  -4.582  -3.176
  274   2HB   ASN  39           HB1      ASN  39  -4.803  -5.096  -4.760
  275   1HD2  ASN  39          HD22      ASN  39  -1.076  -6.306  -4.932
  276   2HD2  ASN  39          HD21      ASN  39  -1.615  -4.760  -5.350
  277    H    ALA  40           HN       ALA  40  -4.128  -1.863  -2.947
  278    HA   ALA  40           HA       ALA  40  -6.720  -1.107  -3.976
  279   1HB   ALA  40           HB3      ALA  40  -5.862  -1.003  -1.535
  280   2HB   ALA  40           HB2      ALA  40  -5.104   0.516  -2.006
  281   3HB   ALA  40           HB1      ALA  40  -6.857   0.339  -2.099
  282    H    VAL  41           HN       VAL  41  -3.581   0.557  -3.770
  283    HA   VAL  41           HA       VAL  41  -4.205   2.983  -5.005
  284    HB   VAL  41           HB       VAL  41  -1.731   1.276  -5.428
  285   1HG1  VAL  41          HG11      VAL  41  -2.080   3.140  -7.081
  286   2HG1  VAL  41          HG13      VAL  41  -2.071   4.273  -5.729
  287   3HG1  VAL  41          HG12      VAL  41  -0.630   3.324  -6.093
  288   1HG2  VAL  41          HG21      VAL  41  -2.650   3.129  -3.255
  289   2HG2  VAL  41          HG23      VAL  41  -1.739   1.624  -3.132
  290   3HG2  VAL  41          HG22      VAL  41  -0.934   3.101  -3.660
  291    H    VAL  42           HN       VAL  42  -2.996   0.071  -6.672
  292    HA   VAL  42           HA       VAL  42  -3.472   1.071  -9.287
  293    HB   VAL  42           HB       VAL  42  -1.842  -0.665  -8.908
  294   1HG1  VAL  42          HG11      VAL  42  -4.038  -1.891  -7.404
  295   2HG1  VAL  42          HG13      VAL  42  -3.146  -3.023  -8.420
  296   3HG1  VAL  42          HG12      VAL  42  -2.296  -2.069  -7.205
  297   1HG2  VAL  42          HG23      VAL  42  -3.952  -0.842 -10.784
  298   2HG2  VAL  42          HG22      VAL  42  -2.309  -1.463 -10.939
  299   3HG2  VAL  42          HG21      VAL  42  -3.579  -2.484 -10.261
  300    H    GLU  43           HN       GLU  43  -5.606  -0.430  -6.959
  301    HA   GLU  43           HA       GLU  43  -7.583  -1.078  -9.075
  302   1HB   GLU  43           HB2      GLU  43  -7.082  -2.352  -6.729
  303   2HB   GLU  43           HB1      GLU  43  -8.366  -1.276  -6.219
  304   1HG   GLU  43           HG2      GLU  43  -9.413  -2.151  -8.553
  305   2HG   GLU  43           HG1      GLU  43  -8.462  -3.566  -8.096
  306    H    SER  44           HN       SER  44  -6.602   1.633  -7.511
  307    HA   SER  44           HA       SER  44  -9.359   2.801  -7.564
  308   1HB   SER  44           HB2      SER  44  -8.308   2.576  -5.265
  309   2HB   SER  44           HB1      SER  44  -7.071   3.709  -5.798
  310    HG   SER  44           HG       SER  44  -9.078   4.522  -4.688
  311    H    ASN  45           HN       ASN  45  -6.297   2.822  -8.944
  312    HA   ASN  45           HA       ASN  45  -5.521   4.163 -10.711
  313   1HB   ASN  45           HB2      ASN  45  -6.969   5.565 -11.759
  314   2HB   ASN  45           HB1      ASN  45  -8.152   4.886 -10.650
  315   1HD2  ASN  45          HD22      ASN  45  -8.065   8.705 -10.518
  316   2HD2  ASN  45          HD21      ASN  45  -8.098   7.633 -11.834
  317    H    GLY  46           HN       GLY  46  -5.533   4.734  -7.499
  318   1HA   GLY  46           HA2      GLY  46  -3.608   5.767  -6.441
  319   2HA   GLY  46           HA1      GLY  46  -3.491   6.881  -7.796
  320    H    THR  47           HN       THR  47  -6.708   6.453  -6.840
  321    HA   THR  47           HA       THR  47  -6.798   9.166  -5.715
  322    HB   THR  47           HB       THR  47  -9.250   8.688  -5.470
  323    HG1  THR  47           HG1      THR  47  -9.473   6.578  -5.224
  324   1HG2  THR  47          HG22      THR  47  -7.670   8.880  -7.844
  325   2HG2  THR  47          HG21      THR  47  -9.063   7.850  -8.175
  326   3HG2  THR  47          HG23      THR  47  -9.303   9.485  -7.561
  327    H    LEU  48           HN       LEU  48  -6.190   6.093  -4.518
  328    HA   LEU  48           HA       LEU  48  -7.392   6.389  -1.883
  329   1HB   LEU  48           HB2      LEU  48  -7.128   4.144  -2.438
  330   2HB   LEU  48           HB1      LEU  48  -5.615   4.431  -3.284
  331    HG   LEU  48           HG       LEU  48  -4.436   4.685  -1.145
  332   1HD1  LEU  48          HD13      LEU  48  -7.161   4.952  -0.165
  333   2HD1  LEU  48          HD12      LEU  48  -6.247   3.755   0.753
  334   3HD1  LEU  48          HD11      LEU  48  -5.647   5.406   0.613
  335   1HD2  LEU  48          HD23      LEU  48  -5.422   2.349  -2.198
  336   2HD2  LEU  48          HD22      LEU  48  -4.248   2.440  -0.884
  337   3HD2  LEU  48          HD21      LEU  48  -5.965   2.252  -0.523
  338    H    THR  49           HN       THR  49  -3.993   5.865  -2.603
  339    HA   THR  49           HA       THR  49  -2.059   6.952  -1.896
  340    HB   THR  49           HB       THR  49  -2.146   9.227  -1.577
  341    HG1  THR  49           HG1      THR  49  -4.556   9.765  -0.628
  342   1HG2  THR  49          HG22      THR  49  -3.730   8.403  -3.528
  343   2HG2  THR  49          HG21      THR  49  -4.981   9.123  -2.515
  344   3HG2  THR  49          HG23      THR  49  -3.647  10.113  -3.103
  345    H    LEU  50           HN       LEU  50  -1.155   7.741   0.384
  346    HA   LEU  50           HA       LEU  50  -2.701   6.319   2.441
  347   1HB   LEU  50           HB2      LEU  50  -1.021   4.849   2.605
  348   2HB   LEU  50           HB1      LEU  50  -0.232   5.644   1.262
  349    HG   LEU  50           HG       LEU  50   0.194   7.023   3.825
  350   1HD1  LEU  50          HD12      LEU  50   0.848   4.136   3.394
  351   2HD1  LEU  50          HD11      LEU  50   1.878   5.155   4.401
  352   3HD1  LEU  50          HD13      LEU  50   0.183   4.918   4.828
  353   1HD2  LEU  50          HD22      LEU  50   1.826   5.981   1.507
  354   2HD2  LEU  50          HD21      LEU  50   1.528   7.660   1.957
  355   3HD2  LEU  50          HD23      LEU  50   2.592   6.657   2.944
  356    H    SER  51           HN       SER  51  -1.824   6.924   4.719
  357    HA   SER  51           HA       SER  51  -1.498   9.883   4.759
  358   1HB   SER  51           HB2      SER  51  -3.484   8.182   5.951
  359   2HB   SER  51           HB1      SER  51  -2.538   8.874   7.204
  360    HG   SER  51           HG       SER  51  -4.248  10.072   5.427
  361    H    HIS  52           HN       HIS  52  -0.334   6.803   5.823
  362    HA   HIS  52           HA       HIS  52   2.155   7.871   6.744
  363   1HB   HIS  52           HB2      HIS  52   1.954   7.546   9.154
  364   2HB   HIS  52           HB1      HIS  52   0.716   8.683   8.619
  365    HD1  HIS  52           HD1      HIS  52   1.031   5.879  10.751
  366    HD2  HIS  52           HD2      HIS  52  -1.808   6.973   7.896
  367    HE1  HIS  52           HE1      HIS  52  -1.067   4.559  11.280
  368    H    PHE  53           HN       PHE  53   3.646   6.180   7.045
  369    HA   PHE  53           HA       PHE  53   2.801   3.572   6.122
  370   1HB   PHE  53           HB2      PHE  53   5.411   4.629   7.215
  371   2HB   PHE  53           HB1      PHE  53   5.191   2.942   6.749
  372    HD1  PHE  53           HD2      PHE  53   4.638   6.408   5.435
  373    HD2  PHE  53           HD1      PHE  53   5.556   2.312   4.523
  374    HE1  PHE  53           HE2      PHE  53   4.989   7.015   3.057
  375    HE2  PHE  53           HE1      PHE  53   5.907   2.918   2.144
  376    HZ   PHE  53           HZ       PHE  53   5.622   5.271   1.410
  377    H    GLY  54           HN       GLY  54   1.685   2.240   7.400
  378   1HA   GLY  54           HA2      GLY  54   2.408   0.798   9.524
  379   2HA   GLY  54           HA1      GLY  54   1.971   2.312  10.309
  380    H    LYS  55           HN       LYS  55   0.394   0.525  11.159
  381    HA   LYS  55           HA       LYS  55  -1.932   0.130   9.388
  382   1HB   LYS  55           HB2      LYS  55  -2.689  -0.768  11.911
  383   2HB   LYS  55           HB1      LYS  55  -2.051  -1.770  10.613
  384   1HG   LYS  55           HG2      LYS  55   0.215  -1.511  11.461
  385   2HG   LYS  55           HG1      LYS  55  -0.339  -0.375  12.690
  386   1HD   LYS  55           HD2      LYS  55  -1.502  -2.056  13.883
  387   2HD   LYS  55           HD1      LYS  55  -1.454  -3.173  12.518
  388   1HE   LYS  55           HE2      LYS  55   0.247  -4.013  13.888
  389   2HE   LYS  55           HE1      LYS  55   1.143  -2.970  12.783
  390   1HZ   LYS  55           HZ3      LYS  55   0.580  -1.195  14.609
  391   2HZ   LYS  55           HZ2      LYS  55   0.493  -2.567  15.608
  392   3HZ   LYS  55           HZ1      LYS  55   1.925  -2.215  14.764
  393    H    CYS  56           HN       CYS  56  -3.026   2.034   9.146
  394    HA   CYS  56           HA       CYS  56  -3.264   4.226  10.775
  395   1HB   CYS  56           HB2      CYS  56  -4.743   3.165   8.608
  396   2HB   CYS  56           HB1      CYS  56  -5.921   3.584   9.851
   
  No H/Q in entry =         396
  Start of MODEL           8
 Raw file had  401 H/Q atoms
  Start of MODEL    8
    1   1H    LEU   1           HT2      LEU   1  11.109  10.420   9.877
    2   2H    LEU   1           HT1      LEU   1  12.064   9.017   9.806
    3   3H    LEU   1           HT3      LEU   1  12.621  10.455   9.102
    4    HA   LEU   1           HA       LEU   1  11.880   9.165   7.310
    5   1HB   LEU   1           HB2      LEU   1   9.481   8.266   7.395
    6   2HB   LEU   1           HB1      LEU   1  10.655   7.446   8.425
    7    HG   LEU   1           HG       LEU   1   9.337   9.762   9.690
    8   1HD1  LEU   1          HD12      LEU   1   7.543   8.608   8.228
    9   2HD1  LEU   1          HD11      LEU   1   7.710   7.244   9.333
   10   3HD1  LEU   1          HD13      LEU   1   7.183   8.814   9.942
   11   1HD2  LEU   1          HD21      LEU   1  10.786   7.524  10.463
   12   2HD2  LEU   1          HD23      LEU   1   9.879   8.578  11.546
   13   3HD2  LEU   1          HD22      LEU   1   9.135   7.108  10.920
   14    H    ALA   2           HN       ALA   2  12.103  11.657   7.056
   15    HA   ALA   2           HA       ALA   2   9.890  13.406   7.198
   16   1HB   ALA   2           HB1      ALA   2  12.523  13.466   6.098
   17   2HB   ALA   2           HB3      ALA   2  11.410  14.039   4.856
   18   3HB   ALA   2           HB2      ALA   2  11.455  14.829   6.433
   19    H    ALA   3           HN       ALA   3  11.081  11.882   4.172
   20    HA   ALA   3           HA       ALA   3   8.330  12.134   3.084
   21   1HB   ALA   3           HB1      ALA   3  10.563  12.803   1.862
   22   2HB   ALA   3           HB3      ALA   3  10.661  11.077   1.514
   23   3HB   ALA   3           HB2      ALA   3   9.275  12.012   0.954
   24    H    VAL   4           HN       VAL   4   7.195  10.312   2.279
   25    HA   VAL   4           HA       VAL   4   8.356   7.636   2.472
   26    HB   VAL   4           HB       VAL   4   6.259   7.055   4.039
   27   1HG1  VAL   4          HG11      VAL   4   9.080   7.433   4.376
   28   2HG1  VAL   4          HG13      VAL   4   8.262   7.986   5.838
   29   3HG1  VAL   4          HG12      VAL   4   8.009   6.341   5.254
   30   1HG2  VAL   4          HG22      VAL   4   5.790   9.628   4.049
   31   2HG2  VAL   4          HG21      VAL   4   5.691   8.744   5.573
   32   3HG2  VAL   4          HG23      VAL   4   7.126   9.698   5.198
   33    H    SER   5           HN       SER   5   7.679   7.184   0.393
   34    HA   SER   5           HA       SER   5   4.728   7.288  -0.084
   35   1HB   SER   5           HB2      SER   5   6.304   8.909  -1.419
   36   2HB   SER   5           HB1      SER   5   6.725   7.459  -2.326
   37    HG   SER   5           HG       SER   5   4.924   7.753  -3.349
   38    H    VAL   6           HN       VAL   6   4.096   5.657  -1.860
   39    HA   VAL   6           HA       VAL   6   5.811   3.218  -1.624
   40    HB   VAL   6           HB       VAL   6   2.802   3.139  -1.864
   41   1HG1  VAL   6          HG11      VAL   6   4.946   1.221  -1.815
   42   2HG1  VAL   6          HG13      VAL   6   3.933   0.988  -0.388
   43   3HG1  VAL   6          HG12      VAL   6   3.216   0.930  -1.999
   44   1HG2  VAL   6          HG23      VAL   6   3.730   4.403   0.216
   45   2HG2  VAL   6          HG22      VAL   6   2.570   3.102   0.483
   46   3HG2  VAL   6          HG21      VAL   6   4.290   2.815   0.739
   47    H    ASP   7           HN       ASP   7   5.734   1.786  -3.472
   48    HA   ASP   7           HA       ASP   7   4.891   3.187  -5.975
   49   1HB   ASP   7           HB2      ASP   7   7.264   2.811  -6.003
   50   2HB   ASP   7           HB1      ASP   7   7.069   1.154  -5.436
   51    H    CYS   8           HN       CYS   8   3.237   2.231  -7.109
   52    HA   CYS   8           HA       CYS   8   2.829  -0.687  -6.797
   53   1HB   CYS   8           HB2      CYS   8   0.463   1.155  -6.533
   54   2HB   CYS   8           HB1      CYS   8   0.607  -0.535  -6.047
   55    H    SER   9           HN       SER   9   3.826   0.535  -9.073
   56    HA   SER   9           HA       SER   9   1.554   0.963 -10.914
   57   1HB   SER   9           HB2      SER   9   3.099   2.380 -11.756
   58   2HB   SER   9           HB1      SER   9   4.408   1.603 -10.876
   59    HG   SER   9           HG       SER   9   3.663   1.342 -13.463
   60    H    GLU  10           HN       GLU  10   2.584  -1.696  -9.610
   61    HA   GLU  10           HA       GLU  10   2.466  -3.255 -12.163
   62   1HB   GLU  10           HB2      GLU  10   4.024  -4.878 -11.199
   63   2HB   GLU  10           HB1      GLU  10   4.754  -3.274 -11.193
   64   1HG   GLU  10           HG2      GLU  10   3.223  -3.723  -8.768
   65   2HG   GLU  10           HG1      GLU  10   4.449  -4.972  -8.983
   66    H    TYR  11           HN       TYR  11   0.942  -2.575  -9.296
   67    HA   TYR  11           HA       TYR  11   0.022  -5.236  -8.620
   68   1HB   TYR  11           HB2      TYR  11  -0.759  -2.447  -7.736
   69   2HB   TYR  11           HB1      TYR  11  -1.464  -3.904  -7.044
   70    HD1  TYR  11           HD2      TYR  11   1.596  -1.916  -7.424
   71    HD2  TYR  11           HD1      TYR  11  -0.118  -5.426  -5.651
   72    HE1  TYR  11           HE2      TYR  11   3.603  -2.165  -5.986
   73    HE2  TYR  11           HE1      TYR  11   1.892  -5.681  -4.212
   74    HH   TYR  11           HH       TYR  11   3.918  -4.920  -3.745
   75    HA   PRO  12           HA       PRO  12  -2.023  -5.554  -7.437
   76   1HB   PRO  12           HB2      PRO  12  -3.586  -7.773  -7.886
   77   2HB   PRO  12           HB1      PRO  12  -4.238  -6.190  -7.426
   78   1HG   PRO  12           HG2      PRO  12  -4.263  -7.526 -10.097
   79   2HG   PRO  12           HG1      PRO  12  -5.392  -6.337  -9.425
   80   1HD   PRO  12           HD2      PRO  12  -3.327  -5.783 -11.266
   81   2HD   PRO  12           HD1      PRO  12  -4.238  -4.594 -10.358
   82    H    LYS  13           HN       LYS  13  -0.804  -7.304  -6.639
   83    HA   LYS  13           HA       LYS  13   0.837  -8.710  -8.682
   84   1HB   LYS  13           HB2      LYS  13   1.403  -7.466  -6.198
   85   2HB   LYS  13           HB1      LYS  13   1.641  -9.195  -5.952
   86   1HG   LYS  13           HG2      LYS  13   3.168  -9.301  -7.844
   87   2HG   LYS  13           HG1      LYS  13   2.844  -7.615  -8.243
   88   1HD   LYS  13           HD2      LYS  13   3.590  -7.320  -5.667
   89   2HD   LYS  13           HD1      LYS  13   4.525  -8.759  -6.074
   90   1HE   LYS  13           HE2      LYS  13   5.893  -7.626  -7.502
   91   2HE   LYS  13           HE1      LYS  13   4.580  -6.617  -8.110
   92   1HZ   LYS  13           HZ2      LYS  13   4.660  -5.362  -6.023
   93   2HZ   LYS  13           HZ1      LYS  13   5.985  -6.297  -5.512
   94   3HZ   LYS  13           HZ3      LYS  13   6.132  -5.285  -6.867
   95    HA   PRO  14           HA       PRO  14  -1.256 -12.495  -7.732
   96   1HB   PRO  14           HB2      PRO  14   0.585 -14.201  -8.852
   97   2HB   PRO  14           HB1      PRO  14  -0.563 -13.237  -9.798
   98   1HG   PRO  14           HG2      PRO  14   2.363 -12.820  -9.404
   99   2HG   PRO  14           HG1      PRO  14   1.334 -12.337 -10.762
  100   1HD   PRO  14           HD2      PRO  14   2.264 -10.636  -8.728
  101   2HD   PRO  14           HD1      PRO  14   0.955 -10.272  -9.840
  102    H    ALA  15           HN       ALA  15   1.121 -11.324  -5.982
  103    HA   ALA  15           HA       ALA  15   1.065 -13.374  -3.973
  104   1HB   ALA  15           HB1      ALA  15   2.643 -14.448  -5.583
  105   2HB   ALA  15           HB3      ALA  15   3.692 -13.036  -5.457
  106   3HB   ALA  15           HB2      ALA  15   3.419 -14.059  -4.047
  107    H    CYS  16           HN       CYS  16   0.812 -11.868  -2.356
  108    HA   CYS  16           HA       CYS  16   2.241  -9.320  -2.421
  109   1HB   CYS  16           HB2      CYS  16   0.431 -10.612  -0.361
  110   2HB   CYS  16           HB1      CYS  16   1.171  -9.028  -0.139
  111    H    THR  17           HN       THR  17   4.120  -8.826  -1.368
  112    HA   THR  17           HA       THR  17   5.952 -10.757  -0.527
  113    HB   THR  17           HB       THR  17   6.694  -8.694   1.062
  114    HG1  THR  17           HG1      THR  17   5.468  -7.300  -1.005
  115   1HG2  THR  17          HG22      THR  17   7.170  -9.553  -1.660
  116   2HG2  THR  17          HG21      THR  17   7.309  -7.799  -1.535
  117   3HG2  THR  17          HG23      THR  17   8.298  -8.836  -0.508
  118    H    LEU  18           HN       LEU  18   6.787 -10.843   1.900
  119    HA   LEU  18           HA       LEU  18   4.379 -11.473   3.540
  120   1HB   LEU  18           HB2      LEU  18   5.838 -12.960   4.826
  121   2HB   LEU  18           HB1      LEU  18   5.987 -13.334   3.108
  122    HG   LEU  18           HG       LEU  18   7.929 -11.462   3.335
  123   1HD1  LEU  18          HD11      LEU  18   7.227 -12.138   6.027
  124   2HD1  LEU  18          HD13      LEU  18   8.833 -12.789   5.695
  125   3HD1  LEU  18          HD12      LEU  18   8.515 -11.068   5.472
  126   1HD2  LEU  18          HD23      LEU  18   8.084 -14.435   3.907
  127   2HD2  LEU  18          HD22      LEU  18   8.293 -13.635   2.349
  128   3HD2  LEU  18          HD21      LEU  18   9.502 -13.428   3.615
  129    H    GLU  19           HN       GLU  19   7.280  -9.510   3.438
  130    HA   GLU  19           HA       GLU  19   7.671  -8.779   6.090
  131   1HB   GLU  19           HB2      GLU  19   7.552  -6.902   3.705
  132   2HB   GLU  19           HB1      GLU  19   8.296  -6.525   5.258
  133   1HG   GLU  19           HG2      GLU  19  10.183  -7.615   4.693
  134   2HG   GLU  19           HG1      GLU  19   9.273  -9.062   4.258
  135    H    TYR  20           HN       TYR  20   6.505  -7.597   7.610
  136    HA   TYR  20           HA       TYR  20   3.708  -7.002   6.868
  137   1HB   TYR  20           HB2      TYR  20   4.302  -8.294   8.957
  138   2HB   TYR  20           HB1      TYR  20   4.993  -6.806   9.602
  139    HD1  TYR  20           HD2      TYR  20   1.952  -7.211   7.466
  140    HD2  TYR  20           HD1      TYR  20   3.507  -6.214  11.345
  141    HE1  TYR  20           HE2      TYR  20  -0.299  -6.456   8.174
  142    HE2  TYR  20           HE1      TYR  20   1.251  -5.465  12.054
  143    HH   TYR  20           HH       TYR  20  -1.573  -6.042  10.105
  144    H    ARG  21           HN       ARG  21   4.051  -5.080   5.632
  145    HA   ARG  21           HA       ARG  21   4.943  -2.715   7.236
  146   1HB   ARG  21           HB2      ARG  21   4.632  -2.683   4.241
  147   2HB   ARG  21           HB1      ARG  21   5.679  -1.690   5.257
  148   1HG   ARG  21           HG2      ARG  21   7.194  -3.488   5.632
  149   2HG   ARG  21           HG1      ARG  21   6.054  -4.679   5.003
  150   1HD   ARG  21           HD2      ARG  21   6.507  -4.159   2.809
  151   2HD   ARG  21           HD1      ARG  21   6.845  -2.466   3.171
  152    HE   ARG  21           HE       ARG  21   8.894  -4.047   4.353
  153   1HH1  ARG  21          HH21      ARG  21   8.498  -5.417   1.661
  154   2HH1  ARG  21          HH22      ARG  21   9.628  -4.553   0.674
  155   1HH2  ARG  21          HH11      ARG  21   9.990  -1.934   2.919
  156   2HH2  ARG  21          HH12      ARG  21  10.472  -2.579   1.385
  157    HA   PRO  22           HA       PRO  22   0.390  -2.499   6.830
  158   1HB   PRO  22           HB2      PRO  22   0.078  -1.205   9.256
  159   2HB   PRO  22           HB1      PRO  22   0.080  -2.976   9.050
  160   1HG   PRO  22           HG2      PRO  22   2.253  -1.185  10.075
  161   2HG   PRO  22           HG1      PRO  22   1.888  -2.865  10.506
  162   1HD   PRO  22           HD2      PRO  22   3.952  -2.101   8.798
  163   2HD   PRO  22           HD1      PRO  22   3.201  -3.713   8.806
  164    H    LEU  23           HN       LEU  23   0.155  -0.884   5.219
  165    HA   LEU  23           HA       LEU  23   1.009   1.859   6.012
  166   1HB   LEU  23           HB2      LEU  23  -0.128   1.121   3.329
  167   2HB   LEU  23           HB1      LEU  23   1.019   2.398   3.733
  168    HG   LEU  23           HG       LEU  23   1.784  -0.473   4.187
  169   1HD1  LEU  23          HD12      LEU  23   1.418   0.942   1.599
  170   2HD1  LEU  23          HD11      LEU  23   2.873  -0.035   1.790
  171   3HD1  LEU  23          HD13      LEU  23   1.285  -0.777   1.974
  172   1HD2  LEU  23          HD22      LEU  23   3.035   1.857   4.752
  173   2HD2  LEU  23          HD21      LEU  23   3.907   0.381   4.337
  174   3HD2  LEU  23          HD23      LEU  23   3.610   1.606   3.104
  175    H    CYS  24           HN       CYS  24  -0.558   3.095   6.942
  176    HA   CYS  24           HA       CYS  24  -3.387   2.349   6.710
  177   1HB   CYS  24           HB2      CYS  24  -2.382   3.481   8.762
  178   2HB   CYS  24           HB1      CYS  24  -2.200   4.911   7.782
  179    H    GLY  25           HN       GLY  25  -4.458   2.868   4.795
  180   1HA   GLY  25           HA2      GLY  25  -3.347   4.589   2.886
  181   2HA   GLY  25           HA1      GLY  25  -5.042   4.206   2.917
  182    H    SER  26           HN       SER  26  -5.251   6.561   2.245
  183    HA   SER  26           HA       SER  26  -4.761   8.471   4.461
  184   1HB   SER  26           HB2      SER  26  -4.371   8.976   1.957
  185   2HB   SER  26           HB1      SER  26  -6.124   9.090   1.831
  186    HG   SER  26           HG       SER  26  -4.645  11.024   2.452
  187    H    ASP  27           HN       ASP  27  -7.161   6.314   3.616
  188    HA   ASP  27           HA       ASP  27  -9.377   8.056   4.560
  189   1HB   ASP  27           HB2      ASP  27 -10.792   6.041   3.952
  190   2HB   ASP  27           HB1      ASP  27  -9.934   6.775   2.597
  191    H    ASN  28           HN       ASN  28  -7.409   5.324   5.463
  192    HA   ASN  28           HA       ASN  28  -7.033   5.022   7.921
  193   1HB   ASN  28           HB2      ASN  28  -9.047   6.313   8.585
  194   2HB   ASN  28           HB1      ASN  28 -10.065   4.994   8.006
  195   1HD2  ASN  28          HD22      ASN  28  -9.705   3.144  10.973
  196   2HD2  ASN  28          HD21      ASN  28 -10.549   3.391   9.520
  197    H    LYS  29           HN       LYS  29  -7.215   3.429   5.472
  198    HA   LYS  29           HA       LYS  29  -8.355   0.892   6.560
  199   1HB   LYS  29           HB2      LYS  29  -8.761   2.006   4.101
  200   2HB   LYS  29           HB1      LYS  29  -7.388   0.950   3.764
  201   1HG   LYS  29           HG2      LYS  29  -8.973  -0.675   5.308
  202   2HG   LYS  29           HG1      LYS  29 -10.176   0.251   4.412
  203   1HD   LYS  29           HD2      LYS  29  -9.813  -1.157   2.688
  204   2HD   LYS  29           HD1      LYS  29  -8.243  -0.377   2.500
  205   1HE   LYS  29           HE2      LYS  29  -7.812  -2.730   2.699
  206   2HE   LYS  29           HE1      LYS  29  -7.350  -2.002   4.238
  207   1HZ   LYS  29           HZ1      LYS  29  -9.528  -2.617   5.120
  208   2HZ   LYS  29           HZ3      LYS  29  -9.924  -3.362   3.649
  209   3HZ   LYS  29           HZ2      LYS  29  -8.659  -3.980   4.599
  210    H    THR  30           HN       THR  30  -6.677   0.069   7.799
  211    HA   THR  30           HA       THR  30  -3.902   0.308   7.133
  212    HB   THR  30           HB       THR  30  -5.292  -1.789   8.830
  213    HG1  THR  30           HG1      THR  30  -4.316  -0.287  10.465
  214   1HG2  THR  30          HG23      THR  30  -2.447  -1.183   8.196
  215   2HG2  THR  30          HG22      THR  30  -2.825  -1.561   9.876
  216   3HG2  THR  30          HG21      THR  30  -3.206  -2.721   8.604
  217    H    TYR  31           HN       TYR  31  -2.825  -0.711   5.524
  218    HA   TYR  31           HA       TYR  31  -4.025  -3.161   4.324
  219   1HB   TYR  31           HB2      TYR  31  -1.972  -1.165   3.355
  220   2HB   TYR  31           HB1      TYR  31  -2.282  -2.679   2.511
  221    HD1  TYR  31           HD1      TYR  31  -3.856   0.471   3.706
  222    HD2  TYR  31           HD2      TYR  31  -4.236  -2.965   1.158
  223    HE1  TYR  31           HE1      TYR  31  -5.850   1.485   2.637
  224    HE2  TYR  31           HE2      TYR  31  -6.226  -1.949   0.084
  225    HH   TYR  31           HH       TYR  31  -6.972   1.031   0.039
  226    H    GLY  32           HN       GLY  32  -3.136  -5.087   4.865
  227   1HA   GLY  32           HA2      GLY  32  -1.367  -5.636   6.823
  228   2HA   GLY  32           HA1      GLY  32  -1.419  -6.655   5.394
  229    H    ASN  33           HN       ASN  33  -0.185  -5.410   3.442
  230    HA   ASN  33           HA       ASN  33   2.249  -4.130   4.539
  231   1HB   ASN  33           HB2      ASN  33   3.650  -5.593   2.975
  232   2HB   ASN  33           HB1      ASN  33   3.047  -6.342   4.433
  233   1HD2  ASN  33          HD22      ASN  33   2.355  -8.528   1.451
  234   2HD2  ASN  33          HD21      ASN  33   3.761  -7.807   2.060
  235    H    LYS  34           HN       LYS  34   3.723  -3.926   2.251
  236    HA   LYS  34           HA       LYS  34   2.544  -1.760   0.919
  237   1HB   LYS  34           HB2      LYS  34   4.414  -2.075  -0.650
  238   2HB   LYS  34           HB1      LYS  34   4.935  -2.150   1.022
  239   1HG   LYS  34           HG2      LYS  34   5.902  -4.084   0.379
  240   2HG   LYS  34           HG1      LYS  34   4.288  -4.756   0.573
  241   1HD   LYS  34           HD2      LYS  34   4.743  -5.444  -1.592
  242   2HD   LYS  34           HD1      LYS  34   4.001  -3.877  -1.919
  243   1HE   LYS  34           HE2      LYS  34   6.985  -4.322  -1.628
  244   2HE   LYS  34           HE1      LYS  34   6.137  -4.229  -3.172
  245   1HZ   LYS  34           HZ3      LYS  34   5.357  -2.011  -2.533
  246   2HZ   LYS  34           HZ2      LYS  34   6.265  -2.105  -1.100
  247   3HZ   LYS  34           HZ1      LYS  34   7.050  -2.092  -2.607
  248    H    CYS  35           HN       CYS  35   2.547  -5.220   0.094
  249    HA   CYS  35           HA       CYS  35   1.583  -4.844  -2.584
  250   1HB   CYS  35           HB2      CYS  35   2.603  -6.959  -1.972
  251   2HB   CYS  35           HB1      CYS  35   1.387  -7.225  -0.723
  252    H    ASN  36           HN       ASN  36   0.009  -4.992   0.545
  253    HA   ASN  36           HA       ASN  36  -2.665  -5.303  -0.605
  254   1HB   ASN  36           HB2      ASN  36  -1.550  -4.818   2.142
  255   2HB   ASN  36           HB1      ASN  36  -3.252  -4.467   1.840
  256   1HD2  ASN  36          HD22      ASN  36  -1.967  -8.371   1.584
  257   2HD2  ASN  36          HD21      ASN  36  -0.846  -7.116   1.383
  258    H    PHE  37           HN       PHE  37  -0.881  -2.648   0.990
  259    HA   PHE  37           HA       PHE  37  -2.776  -0.580   0.577
  260   1HB   PHE  37           HB2      PHE  37  -0.591  -0.384   1.826
  261   2HB   PHE  37           HB1      PHE  37   0.219  -0.252   0.378
  262    HD1  PHE  37           HD1      PHE  37  -2.928   1.260   1.684
  263    HD2  PHE  37           HD2      PHE  37   0.794   1.738  -0.352
  264    HE1  PHE  37           HE1      PHE  37  -3.477   3.640   1.263
  265    HE2  PHE  37           HE2      PHE  37   0.264   4.116  -0.793
  266    HZ   PHE  37           HZ       PHE  37  -1.882   5.074   0.019
  267    H    CYS  38           HN       CYS  38  -0.391  -1.989  -1.407
  268    HA   CYS  38           HA       CYS  38  -0.500  -0.023  -3.525
  269   1HB   CYS  38           HB2      CYS  38   0.703  -2.753  -3.235
  270   2HB   CYS  38           HB1      CYS  38   0.540  -2.064  -4.844
  271    H    ASN  39           HN       ASN  39  -1.776  -3.381  -3.378
  272    HA   ASN  39           HA       ASN  39  -3.084  -3.507  -5.810
  273   1HB   ASN  39           HB2      ASN  39  -4.154  -4.407  -3.113
  274   2HB   ASN  39           HB1      ASN  39  -4.826  -4.901  -4.666
  275   1HD2  ASN  39          HD22      ASN  39  -2.109  -7.292  -3.382
  276   2HD2  ASN  39          HD21      ASN  39  -3.381  -6.543  -2.545
  277    H    ALA  40           HN       ALA  40  -4.021  -1.644  -2.973
  278    HA   ALA  40           HA       ALA  40  -6.597  -0.834  -4.041
  279   1HB   ALA  40           HB1      ALA  40  -4.845   0.033  -1.754
  280   2HB   ALA  40           HB3      ALA  40  -6.200   1.051  -2.239
  281   3HB   ALA  40           HB2      ALA  40  -6.489  -0.607  -1.711
  282    H    VAL  41           HN       VAL  41  -3.377   0.647  -3.848
  283    HA   VAL  41           HA       VAL  41  -3.976   3.143  -5.037
  284    HB   VAL  41           HB       VAL  41  -1.469   1.452  -5.261
  285   1HG1  VAL  41          HG12      VAL  41  -2.066   4.330  -5.958
  286   2HG1  VAL  41          HG11      VAL  41  -0.427   3.764  -5.637
  287   3HG1  VAL  41          HG13      VAL  41  -1.348   3.087  -6.981
  288   1HG2  VAL  41          HG23      VAL  41  -2.610   2.556  -3.006
  289   2HG2  VAL  41          HG22      VAL  41  -0.893   2.204  -3.198
  290   3HG2  VAL  41          HG21      VAL  41  -1.502   3.828  -3.522
  291    H    VAL  42           HN       VAL  42  -3.255   0.011  -6.522
  292    HA   VAL  42           HA       VAL  42  -3.360   1.145  -9.207
  293    HB   VAL  42           HB       VAL  42  -1.709  -0.564  -8.713
  294   1HG1  VAL  42          HG11      VAL  42  -4.084  -1.945  -7.574
  295   2HG1  VAL  42          HG13      VAL  42  -2.886  -2.957  -8.378
  296   3HG1  VAL  42          HG12      VAL  42  -2.409  -1.939  -7.020
  297   1HG2  VAL  42          HG21      VAL  42  -3.534  -0.612 -10.808
  298   2HG2  VAL  42          HG23      VAL  42  -1.976  -1.435 -10.760
  299   3HG2  VAL  42          HG22      VAL  42  -3.441  -2.290 -10.273
  300    H    GLU  43           HN       GLU  43  -5.572  -0.369  -6.983
  301    HA   GLU  43           HA       GLU  43  -7.396  -1.145  -9.184
  302   1HB   GLU  43           HB2      GLU  43  -7.003  -2.337  -6.794
  303   2HB   GLU  43           HB1      GLU  43  -8.316  -1.260  -6.356
  304   1HG   GLU  43           HG2      GLU  43  -9.752  -2.165  -8.038
  305   2HG   GLU  43           HG1      GLU  43  -8.419  -3.036  -8.796
  306    H    SER  44           HN       SER  44  -6.564   1.682  -7.892
  307    HA   SER  44           HA       SER  44  -9.354   2.754  -8.070
  308   1HB   SER  44           HB2      SER  44  -8.812   4.359  -6.313
  309   2HB   SER  44           HB1      SER  44  -8.490   2.733  -5.719
  310    HG   SER  44           HG       SER  44  -6.543   3.424  -5.385
  311    H    ASN  45           HN       ASN  45  -6.992   2.541 -10.004
  312    HA   ASN  45           HA       ASN  45  -6.166   3.912 -11.731
  313   1HB   ASN  45           HB2      ASN  45  -8.589   5.049 -11.096
  314   2HB   ASN  45           HB1      ASN  45  -7.477   6.381 -10.792
  315   1HD2  ASN  45          HD22      ASN  45  -7.257   4.823 -14.589
  316   2HD2  ASN  45          HD21      ASN  45  -7.302   3.772 -13.257
  317    H    GLY  46           HN       GLY  46  -5.388   4.011  -8.644
  318   1HA   GLY  46           HA2      GLY  46  -3.459   4.828  -7.584
  319   2HA   GLY  46           HA1      GLY  46  -3.056   5.709  -9.052
  320    H    THR  47           HN       THR  47  -6.246   6.191  -7.884
  321    HA   THR  47           HA       THR  47  -5.600   8.984  -7.233
  322    HB   THR  47           HB       THR  47  -7.700   8.184  -8.489
  323    HG1  THR  47           HG1      THR  47  -8.361   9.687  -6.214
  324   1HG2  THR  47          HG22      THR  47  -8.481   7.475  -5.647
  325   2HG2  THR  47          HG21      THR  47  -9.595   7.544  -7.013
  326   3HG2  THR  47          HG23      THR  47  -8.301   6.345  -6.988
  327    H    LEU  48           HN       LEU  48  -5.696   6.046  -5.565
  328    HA   LEU  48           HA       LEU  48  -6.660   7.054  -3.028
  329   1HB   LEU  48           HB2      LEU  48  -7.019   4.753  -3.353
  330   2HB   LEU  48           HB1      LEU  48  -5.418   4.504  -4.043
  331    HG   LEU  48           HG       LEU  48  -4.740   5.368  -1.559
  332   1HD1  LEU  48          HD12      LEU  48  -7.400   5.197  -1.260
  333   2HD1  LEU  48          HD11      LEU  48  -6.960   3.531  -0.884
  334   3HD1  LEU  48          HD13      LEU  48  -6.271   4.858   0.051
  335   1HD2  LEU  48          HD23      LEU  48  -4.705   2.969  -3.028
  336   2HD2  LEU  48          HD22      LEU  48  -3.763   3.349  -1.586
  337   3HD2  LEU  48          HD21      LEU  48  -5.328   2.550  -1.432
  338    H    THR  49           HN       THR  49  -5.449   8.185  -1.626
  339    HA   THR  49           HA       THR  49  -2.468   8.039  -1.864
  340    HB   THR  49           HB       THR  49  -2.329  10.290  -1.266
  341    HG1  THR  49           HG1      THR  49  -3.356  10.334   0.638
  342   1HG2  THR  49          HG22      THR  49  -4.218   9.685  -3.207
  343   2HG2  THR  49          HG21      THR  49  -5.050  10.850  -2.175
  344   3HG2  THR  49          HG23      THR  49  -3.509  11.274  -2.920
  345    H    LEU  50           HN       LEU  50  -1.375   8.085   0.379
  346    HA   LEU  50           HA       LEU  50  -3.163   6.627   2.233
  347   1HB   LEU  50           HB2      LEU  50  -1.418   5.262   2.687
  348   2HB   LEU  50           HB1      LEU  50  -0.745   5.918   1.212
  349    HG   LEU  50           HG       LEU  50  -0.054   7.649   3.426
  350   1HD1  LEU  50          HD12      LEU  50  -0.443   5.443   4.627
  351   2HD1  LEU  50          HD11      LEU  50   0.868   4.786   3.650
  352   3HD1  LEU  50          HD13      LEU  50   1.183   6.111   4.770
  353   1HD2  LEU  50          HD21      LEU  50   1.046   7.293   1.139
  354   2HD2  LEU  50          HD23      LEU  50   2.141   7.332   2.522
  355   3HD2  LEU  50          HD22      LEU  50   1.690   5.789   1.797
  356    H    SER  51           HN       SER  51  -1.777   6.950   4.647
  357    HA   SER  51           HA       SER  51  -1.950   9.889   5.091
  358   1HB   SER  51           HB2      SER  51  -3.620   7.812   6.226
  359   2HB   SER  51           HB1      SER  51  -2.675   8.539   7.457
  360    HG   SER  51           HG       SER  51  -3.409  10.566   6.134
  361    H    HIS  52           HN       HIS  52  -0.534   6.778   5.992
  362    HA   HIS  52           HA       HIS  52   1.981   7.920   6.688
  363   1HB   HIS  52           HB2      HIS  52   1.943   7.806   9.114
  364   2HB   HIS  52           HB1      HIS  52   0.618   8.848   8.588
  365    HD1  HIS  52           HD1      HIS  52   1.175   6.278  10.925
  366    HD2  HIS  52           HD2      HIS  52  -1.827   6.921   8.101
  367    HE1  HIS  52           HE1      HIS  52  -0.800   4.854  11.632
  368    H    PHE  53           HN       PHE  53   3.433   6.269   6.668
  369    HA   PHE  53           HA       PHE  53   2.634   3.576   6.188
  370   1HB   PHE  53           HB2      PHE  53   5.248   4.828   7.018
  371   2HB   PHE  53           HB1      PHE  53   5.072   3.080   6.872
  372    HD1  PHE  53           HD2      PHE  53   4.066   6.131   4.911
  373    HD2  PHE  53           HD1      PHE  53   5.723   2.169   4.844
  374    HE1  PHE  53           HE2      PHE  53   4.368   6.300   2.459
  375    HE2  PHE  53           HE1      PHE  53   6.029   2.340   2.389
  376    HZ   PHE  53           HZ       PHE  53   5.352   4.406   1.198
  377    H    GLY  54           HN       GLY  54   1.535   2.432   7.696
  378   1HA   GLY  54           HA2      GLY  54   2.518   1.246   9.926
  379   2HA   GLY  54           HA1      GLY  54   1.985   2.790  10.541
  380    H    LYS  55           HN       LYS  55   0.622   1.003  11.684
  381    HA   LYS  55           HA       LYS  55  -1.769   0.290  10.128
  382   1HB   LYS  55           HB2      LYS  55  -1.978  -0.328  12.962
  383   2HB   LYS  55           HB1      LYS  55  -2.036  -1.405  11.580
  384   1HG   LYS  55           HG2      LYS  55  -0.198  -2.139  12.852
  385   2HG   LYS  55           HG1      LYS  55   0.522  -1.290  11.513
  386   1HD   LYS  55           HD2      LYS  55   1.610  -0.004  13.035
  387   2HD   LYS  55           HD1      LYS  55   0.050   0.629  13.562
  388   1HE   LYS  55           HE2      LYS  55   0.961  -0.279  15.536
  389   2HE   LYS  55           HE1      LYS  55  -0.119  -1.549  14.964
  390   1HZ   LYS  55           HZ2      LYS  55   1.946  -2.401  13.742
  391   2HZ   LYS  55           HZ1      LYS  55   2.822  -1.420  14.817
  392   3HZ   LYS  55           HZ3      LYS  55   1.839  -2.666  15.416
  393    H    CYS  56           HN       CYS  56  -3.492   1.606  10.109
  394    HA   CYS  56           HA       CYS  56  -3.732   4.128  11.155
  395   1HB   CYS  56           HB2      CYS  56  -6.101   2.246  11.159
  396   2HB   CYS  56           HB1      CYS  56  -6.102   3.986  10.874
   
  No H/Q in entry =         396
  Start of MODEL           9
 Raw file had  401 H/Q atoms
  Start of MODEL    9
    1   1H    LEU   1           HT2      LEU   1   2.796  19.805  -4.660
    2   2H    LEU   1           HT1      LEU   1   1.601  20.917  -4.188
    3   3H    LEU   1           HT3      LEU   1   2.827  20.481  -3.101
    4    HA   LEU   1           HA       LEU   1   1.260  19.105  -2.291
    5   1HB   LEU   1           HB2      LEU   1  -0.086  19.979  -4.618
    6   2HB   LEU   1           HB1      LEU   1  -0.154  18.216  -4.648
    7    HG   LEU   1           HG       LEU   1  -0.941  18.268  -2.267
    8   1HD1  LEU   1          HD13      LEU   1  -0.067  20.913  -2.398
    9   2HD1  LEU   1          HD12      LEU   1  -1.826  21.046  -2.389
   10   3HD1  LEU   1          HD11      LEU   1  -0.998  20.190  -1.087
   11   1HD2  LEU   1          HD23      LEU   1  -2.515  18.115  -4.201
   12   2HD2  LEU   1          HD22      LEU   1  -3.228  18.941  -2.815
   13   3HD2  LEU   1          HD21      LEU   1  -2.649  19.874  -4.196
   14    H    ALA   2           HN       ALA   2   3.186  17.768  -2.085
   15    HA   ALA   2           HA       ALA   2   3.104  15.413  -3.920
   16   1HB   ALA   2           HB2      ALA   2   5.097  17.152  -4.174
   17   2HB   ALA   2           HB1      ALA   2   5.722  16.298  -2.763
   18   3HB   ALA   2           HB3      ALA   2   5.401  15.416  -4.257
   19    H    ALA   3           HN       ALA   3   1.709  14.807  -1.928
   20    HA   ALA   3           HA       ALA   3   2.881  14.392   0.635
   21   1HB   ALA   3           HB1      ALA   3   0.475  13.466  -0.802
   22   2HB   ALA   3           HB3      ALA   3   1.061  12.347   0.430
   23   3HB   ALA   3           HB2      ALA   3   0.649  14.005   0.869
   24    H    VAL   4           HN       VAL   4   2.978  11.925   1.460
   25    HA   VAL   4           HA       VAL   4   5.098  10.679  -0.187
   26    HB   VAL   4           HB       VAL   4   5.459  10.996   2.251
   27   1HG1  VAL   4          HG12      VAL   4   2.805  10.142   2.430
   28   2HG1  VAL   4          HG11      VAL   4   3.739   8.797   3.087
   29   3HG1  VAL   4          HG13      VAL   4   3.906  10.409   3.781
   30   1HG2  VAL   4          HG23      VAL   4   5.444   8.319   0.935
   31   2HG2  VAL   4          HG22      VAL   4   6.801   9.251   1.569
   32   3HG2  VAL   4          HG21      VAL   4   5.750   8.361   2.672
   33    H    SER   5           HN       SER   5   4.202   9.444  -1.802
   34    HA   SER   5           HA       SER   5   1.844   7.751  -1.176
   35   1HB   SER   5           HB2      SER   5   1.554   7.517  -3.527
   36   2HB   SER   5           HB1      SER   5   2.024   9.198  -3.292
   37    HG   SER   5           HG       SER   5   3.706   8.795  -4.470
   38    H    VAL   6           HN       VAL   6   1.943   5.459  -2.095
   39    HA   VAL   6           HA       VAL   6   4.455   4.219  -1.176
   40    HB   VAL   6           HB       VAL   6   2.103   3.388  -0.607
   41   1HG1  VAL   6          HG12      VAL   6   1.516   3.560  -3.168
   42   2HG1  VAL   6          HG11      VAL   6   2.223   1.946  -3.231
   43   3HG1  VAL   6          HG13      VAL   6   0.830   2.258  -2.196
   44   1HG2  VAL   6          HG23      VAL   6   4.476   2.101  -0.725
   45   2HG2  VAL   6          HG22      VAL   6   2.988   1.324  -0.187
   46   3HG2  VAL   6          HG21      VAL   6   3.541   1.114  -1.849
   47    H    ASP   7           HN       ASP   7   5.133   2.232  -2.558
   48    HA   ASP   7           HA       ASP   7   5.624   3.239  -5.305
   49   1HB   ASP   7           HB2      ASP   7   7.454   2.303  -3.726
   50   2HB   ASP   7           HB1      ASP   7   6.782   0.719  -4.108
   51    H    CYS   8           HN       CYS   8   4.452   2.442  -6.995
   52    HA   CYS   8           HA       CYS   8   3.227  -0.260  -6.680
   53   1HB   CYS   8           HB2      CYS   8   1.898   2.337  -7.371
   54   2HB   CYS   8           HB1      CYS   8   1.270   0.834  -8.039
   55    H    SER   9           HN       SER   9   5.596   0.150  -8.114
   56    HA   SER   9           HA       SER   9   4.837   0.481 -10.947
   57   1HB   SER   9           HB2      SER   9   7.410   0.351  -9.442
   58   2HB   SER   9           HB1      SER   9   7.423  -0.103 -11.143
   59    HG   SER   9           HG       SER   9   6.097   1.998 -11.274
   60    H    GLU  10           HN       GLU  10   5.000  -1.985  -8.733
   61    HA   GLU  10           HA       GLU  10   5.386  -4.028 -10.881
   62   1HB   GLU  10           HB2      GLU  10   5.608  -4.741  -7.987
   63   2HB   GLU  10           HB1      GLU  10   6.472  -5.412  -9.371
   64   1HG   GLU  10           HG2      GLU  10   6.983  -2.816  -7.915
   65   2HG   GLU  10           HG1      GLU  10   8.103  -4.151  -8.196
   66    H    TYR  11           HN       TYR  11   2.939  -2.522  -9.545
   67    HA   TYR  11           HA       TYR  11   1.376  -4.971  -8.944
   68   1HB   TYR  11           HB2      TYR  11   1.100  -2.092  -8.051
   69   2HB   TYR  11           HB1      TYR  11  -0.122  -3.312  -7.716
   70    HD1  TYR  11           HD1      TYR  11   0.475  -5.335  -6.317
   71    HD2  TYR  11           HD2      TYR  11   3.186  -2.068  -6.901
   72    HE1  TYR  11           HE1      TYR  11   1.861  -6.134  -4.412
   73    HE2  TYR  11           HE2      TYR  11   4.567  -2.863  -5.004
   74    HH   TYR  11           HH       TYR  11   4.970  -5.109  -3.850
   75    HA   PRO  12           HA       PRO  12  -0.848  -4.779  -8.375
   76   1HB   PRO  12           HB2      PRO  12  -2.925  -6.310  -9.337
   77   2HB   PRO  12           HB1      PRO  12  -3.095  -4.614  -8.862
   78   1HG   PRO  12           HG2      PRO  12  -3.112  -5.788 -11.574
   79   2HG   PRO  12           HG1      PRO  12  -3.692  -4.201 -11.042
   80   1HD   PRO  12           HD2      PRO  12  -1.211  -4.822 -12.328
   81   2HD   PRO  12           HD1      PRO  12  -1.759  -3.241 -11.874
   82    H    LYS  13           HN       LYS  13  -0.197  -6.725  -7.500
   83    HA   LYS  13           HA       LYS  13   1.003  -8.692  -9.389
   84   1HB   LYS  13           HB2      LYS  13   1.691  -7.658  -6.727
   85   2HB   LYS  13           HB1      LYS  13   1.788  -9.413  -6.841
   86   1HG   LYS  13           HG2      LYS  13   3.165  -9.131  -8.929
   87   2HG   LYS  13           HG1      LYS  13   3.177  -7.396  -8.615
   88   1HD   LYS  13           HD2      LYS  13   4.841  -7.624  -7.123
   89   2HD   LYS  13           HD1      LYS  13   3.914  -8.820  -6.218
   90   1HE   LYS  13           HE2      LYS  13   4.871  -9.982  -8.681
   91   2HE   LYS  13           HE1      LYS  13   6.219  -9.277  -7.788
   92   1HZ   LYS  13           HZ3      LYS  13   4.457 -10.644  -6.038
   93   2HZ   LYS  13           HZ2      LYS  13   4.969 -11.680  -7.284
   94   3HZ   LYS  13           HZ1      LYS  13   6.113 -10.897  -6.301
   95    HA   PRO  14           HA       PRO  14  -2.204 -11.522  -8.234
   96   1HB   PRO  14           HB2      PRO  14  -1.076 -13.763  -9.354
   97   2HB   PRO  14           HB1      PRO  14  -1.887 -12.498 -10.295
   98   1HG   PRO  14           HG2      PRO  14   1.024 -13.071 -10.036
   99   2HG   PRO  14           HG1      PRO  14   0.152 -12.277 -11.356
  100   1HD   PRO  14           HD2      PRO  14   1.693 -10.986  -9.384
  101   2HD   PRO  14           HD1      PRO  14   0.570 -10.205 -10.472
  102    H    ALA  15           HN       ALA  15   0.511 -11.153  -6.625
  103    HA   ALA  15           HA       ALA  15  -0.111 -13.180  -4.627
  104   1HB   ALA  15           HB1      ALA  15   2.001 -13.642  -6.596
  105   2HB   ALA  15           HB3      ALA  15   2.616 -13.668  -4.944
  106   3HB   ALA  15           HB2      ALA  15   1.311 -14.756  -5.416
  107    H    CYS  16           HN       CYS  16   0.289 -12.213  -2.684
  108    HA   CYS  16           HA       CYS  16   1.987  -9.778  -2.685
  109   1HB   CYS  16           HB2      CYS  16   0.005 -10.881  -0.675
  110   2HB   CYS  16           HB1      CYS  16   0.974  -9.434  -0.401
  111    H    THR  17           HN       THR  17   3.773  -9.549  -1.314
  112    HA   THR  17           HA       THR  17   5.200 -11.961  -0.633
  113    HB   THR  17           HB       THR  17   6.948 -10.552   0.000
  114    HG1  THR  17           HG1      THR  17   6.639  -8.947   1.322
  115   1HG2  THR  17          HG23      THR  17   5.915  -9.989  -2.317
  116   2HG2  THR  17          HG22      THR  17   5.354  -8.510  -1.537
  117   3HG2  THR  17          HG21      THR  17   7.082  -8.859  -1.629
  118    H    LEU  18           HN       LEU  18   6.159 -10.896   2.003
  119    HA   LEU  18           HA       LEU  18   3.712 -11.444   3.619
  120   1HB   LEU  18           HB2      LEU  18   5.123 -12.820   5.152
  121   2HB   LEU  18           HB1      LEU  18   5.015 -13.505   3.529
  122    HG   LEU  18           HG       LEU  18   7.190 -11.854   3.280
  123   1HD1  LEU  18          HD13      LEU  18   7.030 -12.878   6.114
  124   2HD1  LEU  18          HD12      LEU  18   8.583 -12.573   5.337
  125   3HD1  LEU  18          HD11      LEU  18   7.433 -11.254   5.555
  126   1HD2  LEU  18          HD21      LEU  18   6.692 -14.438   2.857
  127   2HD2  LEU  18          HD23      LEU  18   8.346 -13.833   2.932
  128   3HD2  LEU  18          HD22      LEU  18   7.630 -14.619   4.339
  129    H    GLU  19           HN       GLU  19   6.549  -9.526   3.183
  130    HA   GLU  19           HA       GLU  19   7.250  -8.632   5.706
  131   1HB   GLU  19           HB2      GLU  19   6.777  -7.011   3.189
  132   2HB   GLU  19           HB1      GLU  19   7.530  -6.347   4.640
  133   1HG   GLU  19           HG2      GLU  19   9.506  -7.296   4.124
  134   2HG   GLU  19           HG1      GLU  19   8.748  -8.878   3.935
  135    H    TYR  20           HN       TYR  20   6.352  -7.160   7.228
  136    HA   TYR  20           HA       TYR  20   3.426  -6.725   6.866
  137   1HB   TYR  20           HB2      TYR  20   4.126  -7.986   8.882
  138   2HB   TYR  20           HB1      TYR  20   5.086  -6.601   9.400
  139    HD1  TYR  20           HD2      TYR  20   1.668  -6.914   7.885
  140    HD2  TYR  20           HD1      TYR  20   4.031  -5.540  11.197
  141    HE1  TYR  20           HE2      TYR  20  -0.351  -5.898   8.902
  142    HE2  TYR  20           HE1      TYR  20   2.012  -4.523  12.216
  143    HH   TYR  20           HH       TYR  20  -0.170  -3.742  11.585
  144    H    ARG  21           HN       ARG  21   3.590  -4.812   5.597
  145    HA   ARG  21           HA       ARG  21   4.638  -2.435   7.086
  146   1HB   ARG  21           HB2      ARG  21   4.161  -2.447   4.113
  147   2HB   ARG  21           HB1      ARG  21   5.262  -1.440   5.053
  148   1HG   ARG  21           HG2      ARG  21   6.248  -3.913   5.617
  149   2HG   ARG  21           HG1      ARG  21   5.659  -4.165   3.973
  150   1HD   ARG  21           HD2      ARG  21   7.027  -2.423   3.104
  151   2HD   ARG  21           HD1      ARG  21   7.367  -1.785   4.712
  152    HE   ARG  21           HE       ARG  21   8.292  -4.519   4.413
  153   1HH1  ARG  21          HH11      ARG  21   9.760  -2.459   5.972
  154   2HH1  ARG  21          HH12      ARG  21  11.122  -2.121   4.958
  155   1HH2  ARG  21          HH21      ARG  21   9.702  -3.541   2.130
  156   2HH2  ARG  21          HH22      ARG  21  11.088  -2.729   2.779
  157    HA   PRO  22           HA       PRO  22   0.116  -2.045   7.005
  158   1HB   PRO  22           HB2      PRO  22   0.044  -0.463   9.280
  159   2HB   PRO  22           HB1      PRO  22   0.011  -2.250   9.286
  160   1HG   PRO  22           HG2      PRO  22   2.291  -0.396   9.888
  161   2HG   PRO  22           HG1      PRO  22   1.944  -2.003  10.552
  162   1HD   PRO  22           HD2      PRO  22   3.851  -1.499   8.582
  163   2HD   PRO  22           HD1      PRO  22   3.091  -3.081   8.863
  164    H    LEU  23           HN       LEU  23  -0.074  -0.668   5.163
  165    HA   LEU  23           HA       LEU  23   0.818   2.152   5.508
  166   1HB   LEU  23           HB2      LEU  23  -0.431   0.857   3.065
  167   2HB   LEU  23           HB1      LEU  23   0.523   2.341   3.127
  168    HG   LEU  23           HG       LEU  23   1.867  -0.042   4.230
  169   1HD1  LEU  23          HD13      LEU  23   1.192   0.183   1.293
  170   2HD1  LEU  23          HD12      LEU  23   2.471  -0.849   1.932
  171   3HD1  LEU  23          HD11      LEU  23   0.793  -1.150   2.378
  172   1HD2  LEU  23          HD21      LEU  23   2.720   2.379   3.696
  173   2HD2  LEU  23          HD23      LEU  23   3.766   0.993   3.388
  174   3HD2  LEU  23          HD22      LEU  23   2.886   1.745   2.058
  175    H    CYS  24           HN       CYS  24  -0.692   3.525   6.356
  176    HA   CYS  24           HA       CYS  24  -3.488   2.658   6.477
  177   1HB   CYS  24           HB2      CYS  24  -1.872   4.661   7.843
  178   2HB   CYS  24           HB1      CYS  24  -3.392   5.334   7.303
  179    H    GLY  25           HN       GLY  25  -4.679   2.826   4.639
  180   1HA   GLY  25           HA2      GLY  25  -4.322   4.420   2.385
  181   2HA   GLY  25           HA1      GLY  25  -5.861   3.991   2.992
  182    H    SER  26           HN       SER  26  -5.613   6.579   1.877
  183    HA   SER  26           HA       SER  26  -5.100   8.412   4.116
  184   1HB   SER  26           HB2      SER  26  -4.738   9.321   1.923
  185   2HB   SER  26           HB1      SER  26  -6.313   8.779   1.359
  186    HG   SER  26           HG       SER  26  -5.917  11.102   2.123
  187    H    ASP  27           HN       ASP  27  -7.624   6.330   3.300
  188    HA   ASP  27           HA       ASP  27  -9.698   8.024   4.592
  189   1HB   ASP  27           HB2      ASP  27 -11.255   6.189   3.882
  190   2HB   ASP  27           HB1      ASP  27 -10.414   6.949   2.530
  191    H    ASN  28           HN       ASN  28  -7.307   6.134   5.638
  192    HA   ASN  28           HA       ASN  28  -6.961   5.301   7.815
  193   1HB   ASN  28           HB2      ASN  28  -9.950   5.162   8.214
  194   2HB   ASN  28           HB1      ASN  28  -8.685   5.277   9.437
  195   1HD2  ASN  28          HD22      ASN  28 -10.239   8.676   8.855
  196   2HD2  ASN  28          HD21      ASN  28 -10.899   7.157   9.227
  197    H    LYS  29           HN       LYS  29  -7.508   3.737   5.297
  198    HA   LYS  29           HA       LYS  29  -8.522   1.215   6.539
  199   1HB   LYS  29           HB2      LYS  29  -9.183   2.288   4.120
  200   2HB   LYS  29           HB1      LYS  29  -7.848   1.230   3.655
  201   1HG   LYS  29           HG2      LYS  29  -8.927  -0.679   4.706
  202   2HG   LYS  29           HG1      LYS  29 -10.214   0.352   5.334
  203   1HD   LYS  29           HD2      LYS  29 -10.924   0.891   3.046
  204   2HD   LYS  29           HD1      LYS  29  -9.614  -0.095   2.395
  205   1HE   LYS  29           HE2      LYS  29 -10.572  -2.075   3.577
  206   2HE   LYS  29           HE1      LYS  29 -11.928  -1.074   4.094
  207   1HZ   LYS  29           HZ3      LYS  29 -12.083  -0.558   1.569
  208   2HZ   LYS  29           HZ2      LYS  29 -11.233  -2.018   1.401
  209   3HZ   LYS  29           HZ1      LYS  29 -12.743  -1.996   2.180
  210    H    THR  30           HN       THR  30  -6.681   0.532   7.657
  211    HA   THR  30           HA       THR  30  -4.020   0.673   6.572
  212    HB   THR  30           HB       THR  30  -5.188  -0.960   8.836
  213    HG1  THR  30           HG1      THR  30  -3.370   1.098   9.193
  214   1HG2  THR  30          HG23      THR  30  -3.097  -1.945   7.803
  215   2HG2  THR  30          HG22      THR  30  -2.266  -0.452   8.234
  216   3HG2  THR  30          HG21      THR  30  -2.935  -1.483   9.498
  217    H    TYR  31           HN       TYR  31  -2.808  -0.817   5.500
  218    HA   TYR  31           HA       TYR  31  -4.115  -3.399   4.733
  219   1HB   TYR  31           HB2      TYR  31  -2.457  -1.467   3.119
  220   2HB   TYR  31           HB1      TYR  31  -2.614  -3.148   2.638
  221    HD1  TYR  31           HD1      TYR  31  -4.515  -0.033   3.350
  222    HD2  TYR  31           HD2      TYR  31  -4.649  -3.984   1.669
  223    HE1  TYR  31           HE1      TYR  31  -6.737   0.457   2.374
  224    HE2  TYR  31           HE2      TYR  31  -6.874  -3.491   0.693
  225    HH   TYR  31           HH       TYR  31  -8.159  -0.319   0.568
  226    H    GLY  32           HN       GLY  32  -2.857  -5.217   5.121
  227   1HA   GLY  32           HA2      GLY  32  -0.854  -5.204   6.982
  228   2HA   GLY  32           HA1      GLY  32  -0.964  -6.470   5.794
  229    H    ASN  33           HN       ASN  33  -0.164  -5.238   3.446
  230    HA   ASN  33           HA       ASN  33   2.337  -3.793   4.124
  231   1HB   ASN  33           HB2      ASN  33   3.714  -5.296   2.744
  232   2HB   ASN  33           HB1      ASN  33   3.008  -6.128   4.107
  233   1HD2  ASN  33          HD22      ASN  33   2.438  -8.318   1.199
  234   2HD2  ASN  33          HD21      ASN  33   3.757  -7.790   2.122
  235    H    LYS  34           HN       LYS  34   3.573  -3.741   1.794
  236    HA   LYS  34           HA       LYS  34   2.233  -1.741   0.334
  237   1HB   LYS  34           HB2      LYS  34   4.146  -1.892  -1.106
  238   2HB   LYS  34           HB1      LYS  34   4.708  -2.198   0.527
  239   1HG   LYS  34           HG2      LYS  34   4.513  -4.657   0.096
  240   2HG   LYS  34           HG1      LYS  34   4.066  -4.288  -1.572
  241   1HD   LYS  34           HD2      LYS  34   6.612  -3.198  -0.383
  242   2HD   LYS  34           HD1      LYS  34   6.556  -4.806  -1.108
  243   1HE   LYS  34           HE2      LYS  34   7.039  -3.653  -3.024
  244   2HE   LYS  34           HE1      LYS  34   5.296  -3.381  -3.038
  245   1HZ   LYS  34           HZ3      LYS  34   6.059  -1.404  -1.458
  246   2HZ   LYS  34           HZ2      LYS  34   7.461  -1.541  -2.408
  247   3HZ   LYS  34           HZ1      LYS  34   5.958  -1.243  -3.143
  248    H    CYS  35           HN       CYS  35   2.240  -5.259  -0.115
  249    HA   CYS  35           HA       CYS  35   1.238  -5.043  -2.845
  250   1HB   CYS  35           HB2      CYS  35   2.518  -7.028  -2.184
  251   2HB   CYS  35           HB1      CYS  35   1.305  -7.417  -0.961
  252    H    ASN  36           HN       ASN  36  -0.139  -5.422   0.371
  253    HA   ASN  36           HA       ASN  36  -2.836  -5.894  -0.661
  254   1HB   ASN  36           HB2      ASN  36  -1.588  -5.526   2.037
  255   2HB   ASN  36           HB1      ASN  36  -3.324  -5.264   1.873
  256   1HD2  ASN  36          HD22      ASN  36  -1.811  -9.037   1.640
  257   2HD2  ASN  36          HD21      ASN  36  -0.789  -7.689   1.766
  258    H    PHE  37           HN       PHE  37  -0.832  -3.212   0.224
  259    HA   PHE  37           HA       PHE  37  -3.050  -1.276   0.327
  260   1HB   PHE  37           HB2      PHE  37  -0.895  -1.205   1.663
  261   2HB   PHE  37           HB1      PHE  37  -0.099  -0.640   0.299
  262    HD1  PHE  37           HD1      PHE  37  -2.839   0.280   2.598
  263    HD2  PHE  37           HD2      PHE  37  -0.313   1.373  -0.664
  264    HE1  PHE  37           HE1      PHE  37  -3.639   2.616   2.770
  265    HE2  PHE  37           HE2      PHE  37  -1.101   3.710  -0.522
  266    HZ   PHE  37           HZ       PHE  37  -2.764   4.340   1.205
  267    H    CYS  38           HN       CYS  38  -0.592  -2.385  -1.759
  268    HA   CYS  38           HA       CYS  38  -1.006  -0.168  -3.649
  269   1HB   CYS  38           HB2      CYS  38   1.254  -1.121  -3.493
  270   2HB   CYS  38           HB1      CYS  38   0.652  -2.685  -4.042
  271    H    ASN  39           HN       ASN  39  -1.646  -3.710  -3.694
  272    HA   ASN  39           HA       ASN  39  -2.885  -3.908  -6.193
  273   1HB   ASN  39           HB2      ASN  39  -3.650  -5.171  -3.541
  274   2HB   ASN  39           HB1      ASN  39  -4.447  -5.594  -5.056
  275   1HD2  ASN  39          HD22      ASN  39  -1.698  -8.025  -4.738
  276   2HD2  ASN  39          HD21      ASN  39  -3.191  -7.716  -3.993
  277    H    ALA  40           HN       ALA  40  -3.952  -2.200  -3.359
  278    HA   ALA  40           HA       ALA  40  -6.678  -1.817  -4.367
  279   1HB   ALA  40           HB2      ALA  40  -5.159  -0.578  -2.047
  280   2HB   ALA  40           HB1      ALA  40  -6.860  -0.269  -2.397
  281   3HB   ALA  40           HB3      ALA  40  -6.332  -1.891  -1.949
  282    H    VAL  41           HN       VAL  41  -3.746   0.156  -3.905
  283    HA   VAL  41           HA       VAL  41  -4.712   2.594  -4.979
  284    HB   VAL  41           HB       VAL  41  -1.927   1.409  -5.196
  285   1HG1  VAL  41          HG11      VAL  41  -3.035   3.783  -6.283
  286   2HG1  VAL  41          HG13      VAL  41  -2.023   4.269  -4.924
  287   3HG1  VAL  41          HG12      VAL  41  -1.338   3.310  -6.236
  288   1HG2  VAL  41          HG22      VAL  41  -3.266   1.856  -2.884
  289   2HG2  VAL  41          HG21      VAL  41  -1.526   2.090  -3.039
  290   3HG2  VAL  41          HG23      VAL  41  -2.616   3.472  -3.163
  291    H    VAL  42           HN       VAL  42  -3.351  -0.240  -6.587
  292    HA   VAL  42           HA       VAL  42  -3.279   0.871  -9.224
  293    HB   VAL  42           HB       VAL  42  -2.987  -1.498  -9.932
  294   1HG1  VAL  42          HG13      VAL  42  -1.337  -0.039  -8.128
  295   2HG1  VAL  42          HG12      VAL  42  -1.278  -1.734  -7.644
  296   3HG1  VAL  42          HG11      VAL  42  -0.843  -1.271  -9.289
  297   1HG2  VAL  42          HG22      VAL  42  -3.948  -1.950  -7.143
  298   2HG2  VAL  42          HG21      VAL  42  -4.380  -2.809  -8.621
  299   3HG2  VAL  42          HG23      VAL  42  -2.818  -3.098  -7.855
  300    H    GLU  43           HN       GLU  43  -5.657  -1.189  -7.503
  301    HA   GLU  43           HA       GLU  43  -7.495  -0.949  -9.809
  302   1HB   GLU  43           HB2      GLU  43  -7.062  -2.991  -7.985
  303   2HB   GLU  43           HB1      GLU  43  -8.521  -2.229  -7.385
  304   1HG   GLU  43           HG2      GLU  43  -9.710  -3.231  -8.998
  305   2HG   GLU  43           HG1      GLU  43  -8.754  -2.380 -10.211
  306    H    SER  44           HN       SER  44  -6.698   1.253  -7.725
  307    HA   SER  44           HA       SER  44  -9.529   2.009  -7.104
  308   1HB   SER  44           HB2      SER  44  -8.782   3.049  -5.058
  309   2HB   SER  44           HB1      SER  44  -8.145   1.408  -5.084
  310    HG   SER  44           HG       SER  44  -6.846   3.834  -5.216
  311    H    ASN  45           HN       ASN  45  -7.260   2.702  -9.234
  312    HA   ASN  45           HA       ASN  45  -6.797   4.600 -10.532
  313   1HB   ASN  45           HB2      ASN  45  -9.293   5.375  -9.067
  314   2HB   ASN  45           HB1      ASN  45  -8.385   6.637  -9.893
  315   1HD2  ASN  45          HD22      ASN  45  -9.993   5.743 -12.893
  316   2HD2  ASN  45          HD21      ASN  45  -9.577   6.974 -11.800
  317    H    GLY  46           HN       GLY  46  -5.914   4.179  -7.543
  318   1HA   GLY  46           HA2      GLY  46  -4.286   5.229  -6.224
  319   2HA   GLY  46           HA1      GLY  46  -4.129   6.459  -7.471
  320    H    THR  47           HN       THR  47  -7.277   5.808  -6.181
  321    HA   THR  47           HA       THR  47  -7.396   8.528  -5.064
  322    HB   THR  47           HB       THR  47  -9.748   8.176  -4.897
  323    HG1  THR  47           HG1      THR  47 -10.591   6.271  -4.525
  324   1HG2  THR  47          HG21      THR  47  -8.343   7.478  -7.285
  325   2HG2  THR  47          HG23      THR  47  -9.774   6.452  -7.170
  326   3HG2  THR  47          HG22      THR  47  -9.940   8.208  -7.133
  327    H    LEU  48           HN       LEU  48  -6.388   5.544  -3.967
  328    HA   LEU  48           HA       LEU  48  -7.445   5.731  -1.248
  329   1HB   LEU  48           HB2      LEU  48  -7.146   3.510  -1.978
  330   2HB   LEU  48           HB1      LEU  48  -5.599   3.874  -2.736
  331    HG   LEU  48           HG       LEU  48  -4.525   4.089  -0.583
  332   1HD1  LEU  48          HD13      LEU  48  -7.283   4.398   0.309
  333   2HD1  LEU  48          HD12      LEU  48  -6.390   3.243   1.300
  334   3HD1  LEU  48          HD11      LEU  48  -5.790   4.888   1.104
  335   1HD2  LEU  48          HD22      LEU  48  -4.881   1.793  -1.517
  336   2HD2  LEU  48          HD21      LEU  48  -4.762   1.810   0.243
  337   3HD2  LEU  48          HD23      LEU  48  -6.339   1.661  -0.534
  338    H    THR  49           HN       THR  49  -4.094   5.214  -2.126
  339    HA   THR  49           HA       THR  49  -2.112   6.211  -1.383
  340    HB   THR  49           HB       THR  49  -2.040   8.477  -1.611
  341    HG1  THR  49           HG1      THR  49  -3.715   9.796  -0.557
  342   1HG2  THR  49          HG22      THR  49  -3.916   7.530  -3.217
  343   2HG2  THR  49          HG21      THR  49  -4.969   8.539  -2.224
  344   3HG2  THR  49          HG23      THR  49  -3.625   9.266  -3.104
  345    H    LEU  50           HN       LEU  50  -1.267   7.286   0.815
  346    HA   LEU  50           HA       LEU  50  -3.135   6.435   2.954
  347   1HB   LEU  50           HB2      LEU  50  -1.143   5.596   4.209
  348   2HB   LEU  50           HB1      LEU  50  -1.602   4.644   2.824
  349    HG   LEU  50           HG       LEU  50   0.874   5.177   3.257
  350   1HD1  LEU  50          HD11      LEU  50  -0.686   5.089   0.777
  351   2HD1  LEU  50          HD13      LEU  50   0.956   5.706   0.592
  352   3HD1  LEU  50          HD12      LEU  50   0.687   4.105   1.284
  353   1HD2  LEU  50          HD22      LEU  50   0.513   7.647   3.512
  354   2HD2  LEU  50          HD21      LEU  50   1.742   7.220   2.326
  355   3HD2  LEU  50          HD23      LEU  50   0.139   7.715   1.793
  356    H    SER  51           HN       SER  51  -2.710   7.259   4.993
  357    HA   SER  51           HA       SER  51  -2.083  10.080   5.008
  358   1HB   SER  51           HB2      SER  51  -3.886   9.160   6.179
  359   2HB   SER  51           HB1      SER  51  -3.037   8.101   7.150
  360    HG   SER  51           HG       SER  51  -3.279  10.893   7.253
  361    H    HIS  52           HN       HIS  52  -0.415   7.276   5.241
  362    HA   HIS  52           HA       HIS  52   2.128   8.222   5.533
  363   1HB   HIS  52           HB2      HIS  52   2.592   7.825   8.028
  364   2HB   HIS  52           HB1      HIS  52   1.724   9.304   7.622
  365    HD1  HIS  52           HD1      HIS  52   1.291   5.952   9.222
  366    HD2  HIS  52           HD2      HIS  52  -1.055   9.287   8.348
  367    HE1  HIS  52           HE1      HIS  52  -0.876   5.650  10.486
  368    H    PHE  53           HN       PHE  53   3.729   6.560   6.118
  369    HA   PHE  53           HA       PHE  53   2.703   3.886   5.507
  370   1HB   PHE  53           HB2      PHE  53   5.496   4.952   5.993
  371   2HB   PHE  53           HB1      PHE  53   5.134   3.263   5.633
  372    HD1  PHE  53           HD2      PHE  53   4.302   6.688   4.324
  373    HD2  PHE  53           HD1      PHE  53   5.200   2.587   3.413
  374    HE1  PHE  53           HE2      PHE  53   4.208   7.207   1.900
  375    HE2  PHE  53           HE1      PHE  53   5.107   3.106   0.992
  376    HZ   PHE  53           HZ       PHE  53   4.611   5.415   0.237
  377    H    GLY  54           HN       GLY  54   1.820   2.819   7.158
  378   1HA   GLY  54           HA2      GLY  54   2.849   1.514   9.202
  379   2HA   GLY  54           HA1      GLY  54   2.868   3.110   9.877
  380    H    LYS  55           HN       LYS  55   1.330   1.723  11.337
  381    HA   LYS  55           HA       LYS  55  -1.409   1.528  10.341
  382   1HB   LYS  55           HB2      LYS  55  -1.408   1.535  13.201
  383   2HB   LYS  55           HB1      LYS  55  -1.663   0.173  12.119
  384   1HG   LYS  55           HG2      LYS  55   0.851  -0.061  11.967
  385   2HG   LYS  55           HG1      LYS  55   0.969   1.140  13.253
  386   1HD   LYS  55           HD2      LYS  55  -0.597  -0.355  14.609
  387   2HD   LYS  55           HD1      LYS  55  -0.316  -1.595  13.386
  388   1HE   LYS  55           HE2      LYS  55   1.507  -2.170  14.590
  389   2HE   LYS  55           HE1      LYS  55   2.241  -0.688  13.979
  390   1HZ   LYS  55           HZ1      LYS  55   0.525  -0.092  16.139
  391   2HZ   LYS  55           HZ3      LYS  55   1.615  -1.305  16.608
  392   3HZ   LYS  55           HZ2      LYS  55   2.198   0.172  16.002
  393    H    CYS  56           HN       CYS  56  -3.163   2.844  11.062
  394    HA   CYS  56           HA       CYS  56  -2.654   5.633  11.065
  395   1HB   CYS  56           HB2      CYS  56  -5.056   3.974  11.823
  396   2HB   CYS  56           HB1      CYS  56  -5.083   5.734  11.942
   
  No H/Q in entry =         396
  Start of MODEL          10
 Raw file had  401 H/Q atoms
  Start of MODEL   10
    1   1H    LEU   1           HT3      LEU   1  12.364  13.890  -1.574
    2   2H    LEU   1           HT2      LEU   1  12.599  15.055  -2.790
    3   3H    LEU   1           HT1      LEU   1  13.796  14.799  -1.611
    4    HA   LEU   1           HA       LEU   1  12.847  16.180  -0.175
    5   1HB   LEU   1           HB2      LEU   1  12.178  16.981  -2.752
    6   2HB   LEU   1           HB1      LEU   1  10.642  17.054  -1.890
    7    HG   LEU   1           HG       LEU   1  12.430  18.140  -0.071
    8   1HD1  LEU   1          HD12      LEU   1  13.453  18.463  -2.803
    9   2HD1  LEU   1          HD11      LEU   1  13.228  19.996  -1.958
   10   3HD1  LEU   1          HD13      LEU   1  14.259  18.748  -1.260
   11   1HD2  LEU   1          HD22      LEU   1  10.065  18.825  -1.139
   12   2HD2  LEU   1          HD21      LEU   1  11.053  19.982  -0.247
   13   3HD2  LEU   1          HD23      LEU   1  11.087  19.968  -2.010
   14    H    ALA   2           HN       ALA   2  12.028  14.236   1.044
   15    HA   ALA   2           HA       ALA   2  10.315  13.132   2.210
   16   1HB   ALA   2           HB1      ALA   2   9.174  15.827   1.560
   17   2HB   ALA   2           HB3      ALA   2   8.115  14.603   2.258
   18   3HB   ALA   2           HB2      ALA   2   9.554  15.125   3.133
   19    H    ALA   3           HN       ALA   3   9.786  11.327   1.020
   20    HA   ALA   3           HA       ALA   3   7.764  11.697  -1.155
   21   1HB   ALA   3           HB3      ALA   3  10.287  10.462  -1.265
   22   2HB   ALA   3           HB2      ALA   3   9.126   9.135  -1.218
   23   3HB   ALA   3           HB1      ALA   3   9.011  10.362  -2.479
   24    H    VAL   4           HN       VAL   4   5.950  11.450   0.250
   25    HA   VAL   4           HA       VAL   4   5.798   9.041   1.936
   26    HB   VAL   4           HB       VAL   4   3.630   9.929   2.649
   27   1HG1  VAL   4          HG12      VAL   4   6.071  11.622   2.595
   28   2HG1  VAL   4          HG11      VAL   4   4.579  12.426   3.078
   29   3HG1  VAL   4          HG13      VAL   4   5.151  11.018   3.972
   30   1HG2  VAL   4          HG22      VAL   4   3.774  11.226   0.087
   31   2HG2  VAL   4          HG21      VAL   4   2.409  11.150   1.202
   32   3HG2  VAL   4          HG23      VAL   4   3.587  12.455   1.339
   33    H    SER   5           HN       SER   5   6.050   7.685  -0.103
   34    HA   SER   5           HA       SER   5   3.368   6.844  -0.984
   35   1HB   SER   5           HB2      SER   5   5.406   7.377  -3.132
   36   2HB   SER   5           HB1      SER   5   3.661   7.192  -3.286
   37    HG   SER   5           HG       SER   5   4.835   9.418  -3.242
   38    H    VAL   6           HN       VAL   6   3.374   4.660  -1.705
   39    HA   VAL   6           HA       VAL   6   5.906   3.226  -1.113
   40    HB   VAL   6           HB       VAL   6   3.084   2.188  -1.395
   41   1HG1  VAL   6          HG13      VAL   6   5.742   0.898  -0.981
   42   2HG1  VAL   6          HG12      VAL   6   4.389   0.260  -0.045
   43   3HG1  VAL   6          HG11      VAL   6   4.311   0.279  -1.807
   44   1HG2  VAL   6          HG21      VAL   6   4.484   3.474   0.779
   45   2HG2  VAL   6          HG23      VAL   6   2.813   2.913   0.723
   46   3HG2  VAL   6          HG22      VAL   6   4.098   1.811   1.218
   47    H    ASP   7           HN       ASP   7   4.836   4.591  -3.661
   48    HA   ASP   7           HA       ASP   7   5.070   4.249  -5.975
   49   1HB   ASP   7           HB2      ASP   7   7.342   3.576  -5.388
   50   2HB   ASP   7           HB1      ASP   7   6.782   1.956  -4.971
   51    H    CYS   8           HN       CYS   8   4.065   3.053  -7.642
   52    HA   CYS   8           HA       CYS   8   2.862   0.434  -6.967
   53   1HB   CYS   8           HB2      CYS   8   1.333   2.968  -7.388
   54   2HB   CYS   8           HB1      CYS   8   0.673   1.477  -8.068
   55    H    SER   9           HN       SER   9   4.911   1.533  -8.859
   56    HA   SER   9           HA       SER   9   3.649   1.367 -11.503
   57   1HB   SER   9           HB2      SER   9   5.493   2.869 -11.377
   58   2HB   SER   9           HB1      SER   9   6.500   1.683 -10.554
   59    HG   SER   9           HG       SER   9   6.954   0.789 -12.415
   60    H    GLU  10           HN       GLU  10   3.985  -0.948  -9.396
   61    HA   GLU  10           HA       GLU  10   4.593  -2.989 -11.459
   62   1HB   GLU  10           HB2      GLU  10   5.891  -2.888  -8.717
   63   2HB   GLU  10           HB1      GLU  10   6.007  -4.246  -9.835
   64   1HG   GLU  10           HG2      GLU  10   7.965  -3.046 -10.300
   65   2HG   GLU  10           HG1      GLU  10   6.854  -2.450 -11.534
   66    H    TYR  11           HN       TYR  11   2.093  -2.194 -10.434
   67    HA   TYR  11           HA       TYR  11   1.303  -4.645  -8.975
   68   1HB   TYR  11           HB2      TYR  11   0.694  -1.765  -8.295
   69   2HB   TYR  11           HB1      TYR  11  -0.348  -3.068  -7.733
   70    HD1  TYR  11           HD1      TYR  11   0.630  -4.927  -6.320
   71    HD2  TYR  11           HD2      TYR  11   2.841  -1.389  -7.327
   72    HE1  TYR  11           HE1      TYR  11   2.273  -5.436  -4.526
   73    HE2  TYR  11           HE2      TYR  11   4.475  -1.896  -5.533
   74    HH   TYR  11           HH       TYR  11   5.252  -4.055  -4.318
   75    HA   PRO  12           HA       PRO  12  -0.704  -4.811  -8.009
   76   1HB   PRO  12           HB2      PRO  12  -2.730  -6.657  -8.317
   77   2HB   PRO  12           HB1      PRO  12  -3.010  -4.950  -7.954
   78   1HG   PRO  12           HG2      PRO  12  -3.554  -6.406 -10.453
   79   2HG   PRO  12           HG1      PRO  12  -4.093  -4.786  -9.979
   80   1HD   PRO  12           HD2      PRO  12  -1.876  -5.518 -11.679
   81   2HD   PRO  12           HD1      PRO  12  -2.515  -3.934 -11.469
   82    H    LYS  13           HN       LYS  13   0.362  -6.605  -7.165
   83    HA   LYS  13           HA       LYS  13   1.491  -8.498  -9.130
   84   1HB   LYS  13           HB2      LYS  13   2.292  -7.384  -6.573
   85   2HB   LYS  13           HB1      LYS  13   2.427  -9.141  -6.562
   86   1HG   LYS  13           HG2      LYS  13   3.633  -8.940  -8.796
   87   2HG   LYS  13           HG1      LYS  13   3.697  -7.201  -8.502
   88   1HD   LYS  13           HD2      LYS  13   4.680  -7.951  -6.164
   89   2HD   LYS  13           HD1      LYS  13   5.098  -9.417  -7.052
   90   1HE   LYS  13           HE2      LYS  13   6.046  -7.759  -8.841
   91   2HE   LYS  13           HE1      LYS  13   6.042  -6.598  -7.514
   92   1HZ   LYS  13           HZ1      LYS  13   7.340  -8.200  -6.205
   93   2HZ   LYS  13           HZ3      LYS  13   7.408  -9.233  -7.547
   94   3HZ   LYS  13           HZ2      LYS  13   8.154  -7.707  -7.612
   95    HA   PRO  14           HA       PRO  14  -1.384 -11.634  -7.957
   96   1HB   PRO  14           HB2      PRO  14  -0.085 -13.744  -9.147
   97   2HB   PRO  14           HB1      PRO  14  -1.030 -12.540 -10.038
   98   1HG   PRO  14           HG2      PRO  14   1.929 -12.838  -9.852
   99   2HG   PRO  14           HG1      PRO  14   0.954 -12.119 -11.143
  100   1HD   PRO  14           HD2      PRO  14   2.410 -10.702  -9.199
  101   2HD   PRO  14           HD1      PRO  14   1.170 -10.024 -10.234
  102    H    ALA  15           HN       ALA  15   1.311 -11.075  -6.361
  103    HA   ALA  15           HA       ALA  15   0.895 -13.292  -4.483
  104   1HB   ALA  15           HB2      ALA  15   2.924 -13.512  -6.433
  105   2HB   ALA  15           HB1      ALA  15   3.746 -13.080  -4.932
  106   3HB   ALA  15           HB3      ALA  15   2.718 -14.513  -4.994
  107    H    CYS  16           HN       CYS  16   0.806 -12.230  -2.557
  108    HA   CYS  16           HA       CYS  16   2.296  -9.683  -2.263
  109   1HB   CYS  16           HB2      CYS  16   0.251 -10.992  -0.442
  110   2HB   CYS  16           HB1      CYS  16   0.949  -9.389  -0.216
  111    H    THR  17           HN       THR  17   3.979  -9.426  -0.820
  112    HA   THR  17           HA       THR  17   5.512 -11.667  -0.007
  113    HB   THR  17           HB       THR  17   6.799 -10.102   1.339
  114    HG1  THR  17           HG1      THR  17   5.790  -8.567   2.317
  115   1HG2  THR  17          HG23      THR  17   6.956  -9.926  -1.141
  116   2HG2  THR  17          HG22      THR  17   5.707  -8.681  -1.105
  117   3HG2  THR  17          HG21      THR  17   7.267  -8.390  -0.334
  118    H    LEU  18           HN       LEU  18   6.048 -11.301   2.735
  119    HA   LEU  18           HA       LEU  18   3.399 -11.889   3.977
  120   1HB   LEU  18           HB2      LEU  18   5.939 -13.392   4.643
  121   2HB   LEU  18           HB1      LEU  18   4.290 -13.787   5.131
  122    HG   LEU  18           HG       LEU  18   5.063 -13.632   2.220
  123   1HD1  LEU  18          HD12      LEU  18   5.219 -16.043   4.054
  124   2HD1  LEU  18          HD11      LEU  18   5.371 -16.094   2.296
  125   3HD1  LEU  18          HD13      LEU  18   6.583 -15.252   3.263
  126   1HD2  LEU  18          HD23      LEU  18   2.828 -14.859   3.842
  127   2HD2  LEU  18          HD22      LEU  18   2.708 -13.673   2.543
  128   3HD2  LEU  18          HD21      LEU  18   3.139 -15.343   2.175
  129    H    GLU  19           HN       GLU  19   6.411 -10.227   4.203
  130    HA   GLU  19           HA       GLU  19   6.760  -9.959   6.984
  131   1HB   GLU  19           HB2      GLU  19   7.024  -7.612   5.100
  132   2HB   GLU  19           HB1      GLU  19   7.984  -7.977   6.533
  133   1HG   GLU  19           HG2      GLU  19   8.040  -9.359   3.849
  134   2HG   GLU  19           HG1      GLU  19   9.372  -8.580   4.699
  135    H    TYR  20           HN       TYR  20   6.262  -7.502   7.958
  136    HA   TYR  20           HA       TYR  20   3.360  -7.057   7.428
  137   1HB   TYR  20           HB2      TYR  20   3.802  -8.368   9.559
  138   2HB   TYR  20           HB1      TYR  20   4.576  -6.912  10.192
  139    HD1  TYR  20           HD2      TYR  20   1.575  -7.298   7.983
  140    HD2  TYR  20           HD1      TYR  20   3.099  -6.019  11.791
  141    HE1  TYR  20           HE2      TYR  20  -0.647  -6.350   8.548
  142    HE2  TYR  20           HE1      TYR  20   0.878  -5.072  12.360
  143    HH   TYR  20           HH       TYR  20  -1.342  -5.105  11.764
  144    H    ARG  21           HN       ARG  21   4.209  -5.276   6.101
  145    HA   ARG  21           HA       ARG  21   5.007  -2.907   7.755
  146   1HB   ARG  21           HB2      ARG  21   5.263  -2.882   4.772
  147   2HB   ARG  21           HB1      ARG  21   6.286  -2.116   5.987
  148   1HG   ARG  21           HG2      ARG  21   6.751  -4.699   6.602
  149   2HG   ARG  21           HG1      ARG  21   6.397  -4.876   4.884
  150   1HD   ARG  21           HD2      ARG  21   8.783  -4.505   5.144
  151   2HD   ARG  21           HD1      ARG  21   8.069  -3.069   4.410
  152    HE   ARG  21           HE       ARG  21   8.188  -2.876   7.307
  153   1HH1  ARG  21          HH11      ARG  21  10.893  -3.558   5.747
  154   2HH1  ARG  21          HH12      ARG  21  11.598  -1.976   5.754
  155   1HH2  ARG  21          HH21      ARG  21   8.677  -0.387   6.729
  156   2HH2  ARG  21          HH22      ARG  21  10.345  -0.183   6.310
  157    HA   PRO  22           HA       PRO  22   0.639  -2.491   6.452
  158   1HB   PRO  22           HB2      PRO  22  -0.085  -1.086   8.717
  159   2HB   PRO  22           HB1      PRO  22  -0.115  -2.857   8.578
  160   1HG   PRO  22           HG2      PRO  22   1.889  -1.099   9.946
  161   2HG   PRO  22           HG1      PRO  22   1.374  -2.744  10.357
  162   1HD   PRO  22           HD2      PRO  22   3.762  -2.131   9.063
  163   2HD   PRO  22           HD1      PRO  22   2.955  -3.712   8.986
  164    H    LEU  23           HN       LEU  23   0.117  -0.895   5.040
  165    HA   LEU  23           HA       LEU  23   1.235   1.829   5.583
  166   1HB   LEU  23           HB2      LEU  23   0.186   0.803   2.935
  167   2HB   LEU  23           HB1      LEU  23   1.224   2.200   3.225
  168    HG   LEU  23           HG       LEU  23   2.246  -0.428   4.176
  169   1HD1  LEU  23          HD12      LEU  23   1.773   0.275   1.295
  170   2HD1  LEU  23          HD11      LEU  23   3.169  -0.703   1.752
  171   3HD1  LEU  23          HD13      LEU  23   1.538  -1.268   2.116
  172   1HD2  LEU  23          HD21      LEU  23   3.284   2.149   3.059
  173   2HD2  LEU  23          HD23      LEU  23   3.801   1.261   4.492
  174   3HD2  LEU  23          HD22      LEU  23   4.278   0.702   2.889
  175    H    CYS  24           HN       CYS  24  -0.279   3.318   6.217
  176    HA   CYS  24           HA       CYS  24  -3.115   2.604   6.148
  177   1HB   CYS  24           HB2      CYS  24  -2.580   3.843   8.071
  178   2HB   CYS  24           HB1      CYS  24  -1.521   4.921   7.205
  179    H    GLY  25           HN       GLY  25  -4.652   3.433   4.777
  180   1HA   GLY  25           HA2      GLY  25  -3.874   4.483   2.205
  181   2HA   GLY  25           HA1      GLY  25  -5.443   4.344   2.810
  182    H    SER  26           HN       SER  26  -5.338   6.611   1.524
  183    HA   SER  26           HA       SER  26  -4.377   8.731   3.365
  184   1HB   SER  26           HB2      SER  26  -4.141   8.786   0.797
  185   2HB   SER  26           HB1      SER  26  -5.862   9.160   0.766
  186    HG   SER  26           HG       SER  26  -4.557  11.045   0.822
  187    H    ASP  27           HN       ASP  27  -7.043   6.843   3.244
  188    HA   ASP  27           HA       ASP  27  -8.948   9.026   3.927
  189   1HB   ASP  27           HB2      ASP  27 -10.690   7.362   3.700
  190   2HB   ASP  27           HB1      ASP  27  -9.625   7.205   2.303
  191    H    ASN  28           HN       ASN  28  -7.357   6.163   5.194
  192    HA   ASN  28           HA       ASN  28  -6.662   6.442   7.639
  193   1HB   ASN  28           HB2      ASN  28  -8.479   7.972   8.251
  194   2HB   ASN  28           HB1      ASN  28  -9.673   6.716   7.918
  195   1HD2  ASN  28          HD22      ASN  28  -7.289   6.311  11.255
  196   2HD2  ASN  28          HD21      ASN  28  -6.703   7.186   9.924
  197    H    LYS  29           HN       LYS  29  -6.915   4.386   5.705
  198    HA   LYS  29           HA       LYS  29  -8.156   2.207   7.338
  199   1HB   LYS  29           HB2      LYS  29  -8.263   0.907   5.220
  200   2HB   LYS  29           HB1      LYS  29  -9.203   2.396   5.132
  201   1HG   LYS  29           HG2      LYS  29  -7.123   3.473   4.100
  202   2HG   LYS  29           HG1      LYS  29  -6.492   1.834   3.921
  203   1HD   LYS  29           HD2      LYS  29  -9.008   2.989   2.696
  204   2HD   LYS  29           HD1      LYS  29  -7.591   2.359   1.856
  205   1HE   LYS  29           HE2      LYS  29  -8.866   0.467   1.709
  206   2HE   LYS  29           HE1      LYS  29  -8.254   0.188   3.338
  207   1HZ   LYS  29           HZ2      LYS  29 -10.523   1.914   3.333
  208   2HZ   LYS  29           HZ1      LYS  29 -10.880   0.423   2.604
  209   3HZ   LYS  29           HZ3      LYS  29 -10.271   0.467   4.187
  210    H    THR  30           HN       THR  30  -6.915   0.010   6.839
  211    HA   THR  30           HA       THR  30  -3.978   0.615   6.781
  212    HB   THR  30           HB       THR  30  -5.440  -1.282   8.647
  213    HG1  THR  30           HG1      THR  30  -5.314   0.288  10.011
  214   1HG2  THR  30          HG21      THR  30  -2.541  -0.863   7.984
  215   2HG2  THR  30          HG23      THR  30  -2.998  -1.336   9.619
  216   3HG2  THR  30          HG22      THR  30  -3.415  -2.370   8.253
  217    H    TYR  31           HN       TYR  31  -2.782  -0.780   5.536
  218    HA   TYR  31           HA       TYR  31  -4.164  -3.227   4.496
  219   1HB   TYR  31           HB2      TYR  31  -2.291  -1.280   3.172
  220   2HB   TYR  31           HB1      TYR  31  -2.437  -2.931   2.574
  221    HD1  TYR  31           HD1      TYR  31  -4.445   0.107   3.423
  222    HD2  TYR  31           HD2      TYR  31  -4.274  -3.581   1.238
  223    HE1  TYR  31           HE1      TYR  31  -6.554   0.695   2.262
  224    HE2  TYR  31           HE2      TYR  31  -6.379  -2.995   0.073
  225    HH   TYR  31           HH       TYR  31  -7.572  -0.153  -0.246
  226    H    GLY  32           HN       GLY  32  -3.076  -5.151   4.827
  227   1HA   GLY  32           HA2      GLY  32  -1.235  -5.464   6.828
  228   2HA   GLY  32           HA1      GLY  32  -1.321  -6.593   5.489
  229    H    ASN  33           HN       ASN  33  -0.277  -5.286   3.362
  230    HA   ASN  33           HA       ASN  33   2.157  -3.891   4.257
  231   1HB   ASN  33           HB2      ASN  33   3.655  -5.447   3.013
  232   2HB   ASN  33           HB1      ASN  33   2.879  -6.187   4.388
  233   1HD2  ASN  33          HD22      ASN  33   2.441  -8.615   1.675
  234   2HD2  ASN  33          HD21      ASN  33   3.689  -8.038   2.667
  235    H    LYS  34           HN       LYS  34   3.604  -3.997   1.942
  236    HA   LYS  34           HA       LYS  34   2.462  -1.968   0.377
  237   1HB   LYS  34           HB2      LYS  34   4.392  -2.274  -0.984
  238   2HB   LYS  34           HB1      LYS  34   4.889  -2.648   0.654
  239   1HG   LYS  34           HG2      LYS  34   4.434  -5.080   0.157
  240   2HG   LYS  34           HG1      LYS  34   4.176  -4.623  -1.530
  241   1HD   LYS  34           HD2      LYS  34   6.684  -3.686  -0.203
  242   2HD   LYS  34           HD1      LYS  34   6.579  -5.386  -0.664
  243   1HE   LYS  34           HE2      LYS  34   6.320  -4.879  -2.948
  244   2HE   LYS  34           HE1      LYS  34   5.827  -3.219  -2.617
  245   1HZ   LYS  34           HZ3      LYS  34   8.511  -4.176  -1.856
  246   2HZ   LYS  34           HZ2      LYS  34   8.199  -3.647  -3.441
  247   3HZ   LYS  34           HZ1      LYS  34   7.986  -2.587  -2.130
  248    H    CYS  35           HN       CYS  35   2.441  -5.503  -0.157
  249    HA   CYS  35           HA       CYS  35   1.470  -5.323  -2.849
  250   1HB   CYS  35           HB2      CYS  35   2.484  -7.383  -1.989
  251   2HB   CYS  35           HB1      CYS  35   1.156  -7.568  -0.842
  252    H    ASN  36           HN       ASN  36  -0.217  -5.608   0.274
  253    HA   ASN  36           HA       ASN  36  -2.823  -5.746  -1.027
  254   1HB   ASN  36           HB2      ASN  36  -1.911  -5.469   1.830
  255   2HB   ASN  36           HB1      ASN  36  -3.613  -5.309   1.395
  256   1HD2  ASN  36          HD21      ASN  36  -0.898  -7.570   1.493
  257   2HD2  ASN  36          HD22      ASN  36  -1.822  -8.971   1.248
  258    H    PHE  37           HN       PHE  37  -0.781  -3.230   0.315
  259    HA   PHE  37           HA       PHE  37  -2.836  -1.198   0.420
  260   1HB   PHE  37           HB2      PHE  37  -0.597  -1.167   1.611
  261   2HB   PHE  37           HB1      PHE  37   0.124  -0.654   0.185
  262    HD1  PHE  37           HD1      PHE  37  -2.763   0.291   2.324
  263    HD2  PHE  37           HD2      PHE  37   0.231   1.428  -0.484
  264    HE1  PHE  37           HE1      PHE  37  -3.541   2.640   2.501
  265    HE2  PHE  37           HE2      PHE  37  -0.502   3.787  -0.349
  266    HZ   PHE  37           HZ       PHE  37  -2.381   4.413   1.141
  267    H    CYS  38           HN       CYS  38  -0.390  -2.120  -1.868
  268    HA   CYS  38           HA       CYS  38  -1.124   0.090  -3.651
  269   1HB   CYS  38           HB2      CYS  38   1.208  -0.708  -3.666
  270   2HB   CYS  38           HB1      CYS  38   0.674  -2.281  -4.261
  271    H    ASN  39           HN       ASN  39  -1.674  -3.437  -3.554
  272    HA   ASN  39           HA       ASN  39  -2.962  -3.738  -6.043
  273   1HB   ASN  39           HB2      ASN  39  -3.543  -4.986  -3.342
  274   2HB   ASN  39           HB1      ASN  39  -4.411  -5.454  -4.805
  275   1HD2  ASN  39          HD22      ASN  39  -1.645  -7.830  -4.767
  276   2HD2  ASN  39          HD21      ASN  39  -3.160  -7.593  -4.039
  277    H    ALA  40           HN       ALA  40  -3.904  -2.000  -3.199
  278    HA   ALA  40           HA       ALA  40  -6.701  -1.698  -4.043
  279   1HB   ALA  40           HB3      ALA  40  -5.068  -0.432  -1.817
  280   2HB   ALA  40           HB2      ALA  40  -6.778  -0.097  -2.089
  281   3HB   ALA  40           HB1      ALA  40  -6.258  -1.724  -1.651
  282    H    VAL  41           HN       VAL  41  -3.719   0.224  -3.913
  283    HA   VAL  41           HA       VAL  41  -4.806   2.677  -4.908
  284    HB   VAL  41           HB       VAL  41  -2.024   1.517  -5.273
  285   1HG1  VAL  41          HG13      VAL  41  -2.724   3.472  -6.759
  286   2HG1  VAL  41          HG12      VAL  41  -2.858   4.424  -5.281
  287   3HG1  VAL  41          HG11      VAL  41  -1.302   3.741  -5.751
  288   1HG2  VAL  41          HG22      VAL  41  -3.441   2.802  -3.004
  289   2HG2  VAL  41          HG21      VAL  41  -2.075   1.686  -2.992
  290   3HG2  VAL  41          HG23      VAL  41  -1.812   3.398  -3.322
  291    H    VAL  42           HN       VAL  42  -4.075  -0.333  -6.424
  292    HA   VAL  42           HA       VAL  42  -4.052   0.800  -9.146
  293    HB   VAL  42           HB       VAL  42  -3.750  -1.611  -9.807
  294   1HG1  VAL  42          HG13      VAL  42  -1.922  -0.357  -7.762
  295   2HG1  VAL  42          HG12      VAL  42  -1.531  -1.893  -8.534
  296   3HG1  VAL  42          HG11      VAL  42  -1.714  -0.437  -9.512
  297   1HG2  VAL  42          HG21      VAL  42  -5.001  -2.364  -7.671
  298   2HG2  VAL  42          HG23      VAL  42  -3.622  -3.312  -8.207
  299   3HG2  VAL  42          HG22      VAL  42  -3.442  -2.176  -6.873
  300    H    GLU  43           HN       GLU  43  -6.119  -1.049  -6.981
  301    HA   GLU  43           HA       GLU  43  -8.183  -1.359  -9.081
  302   1HB   GLU  43           HB2      GLU  43  -7.481  -2.993  -7.023
  303   2HB   GLU  43           HB1      GLU  43  -8.792  -2.099  -6.275
  304   1HG   GLU  43           HG2      GLU  43  -9.721  -2.701  -8.849
  305   2HG   GLU  43           HG1      GLU  43  -8.921  -4.172  -8.295
  306    H    SER  44           HN       SER  44  -7.251   1.222  -7.537
  307    HA   SER  44           HA       SER  44 -10.045   2.159  -7.030
  308   1HB   SER  44           HB2      SER  44  -9.021   1.836  -4.850
  309   2HB   SER  44           HB1      SER  44  -7.580   2.716  -5.354
  310    HG   SER  44           HG       SER  44  -9.973   3.643  -4.452
  311    H    ASN  45           HN       ASN  45  -7.759   2.441  -9.179
  312    HA   ASN  45           HA       ASN  45  -7.167   4.137 -10.686
  313   1HB   ASN  45           HB2      ASN  45  -9.574   5.214  -9.319
  314   2HB   ASN  45           HB1      ASN  45  -8.514   6.413 -10.049
  315   1HD2  ASN  45          HD22      ASN  45  -9.895   5.771 -13.209
  316   2HD2  ASN  45          HD21      ASN  45  -9.333   6.911 -12.084
  317    H    GLY  46           HN       GLY  46  -6.266   3.932  -7.659
  318   1HA   GLY  46           HA2      GLY  46  -4.415   4.890  -6.565
  319   2HA   GLY  46           HA1      GLY  46  -4.272   6.049  -7.882
  320    H    THR  47           HN       THR  47  -7.374   5.711  -6.388
  321    HA   THR  47           HA       THR  47  -7.154   8.464  -5.343
  322    HB   THR  47           HB       THR  47  -9.523   8.419  -5.154
  323    HG1  THR  47           HG1      THR  47 -10.669   6.543  -5.025
  324   1HG2  THR  47          HG21      THR  47  -8.499   6.856  -7.511
  325   2HG2  THR  47          HG23      THR  47 -10.224   7.175  -7.333
  326   3HG2  THR  47          HG22      THR  47  -9.088   8.518  -7.458
  327    H    LEU  48           HN       LEU  48  -6.412   5.457  -4.205
  328    HA   LEU  48           HA       LEU  48  -7.485   5.679  -1.509
  329   1HB   LEU  48           HB2      LEU  48  -7.193   3.454  -2.134
  330   2HB   LEU  48           HB1      LEU  48  -5.697   3.793  -3.000
  331    HG   LEU  48           HG       LEU  48  -4.501   4.093  -0.895
  332   1HD1  LEU  48          HD12      LEU  48  -7.267   3.761   0.261
  333   2HD1  LEU  48          HD11      LEU  48  -5.821   3.468   1.227
  334   3HD1  LEU  48          HD13      LEU  48  -6.113   5.066   0.538
  335   1HD2  LEU  48          HD21      LEU  48  -4.987   1.763  -1.885
  336   2HD2  LEU  48          HD23      LEU  48  -4.472   1.817  -0.199
  337   3HD2  LEU  48          HD22      LEU  48  -6.176   1.593  -0.595
  338    H    THR  49           HN       THR  49  -4.171   5.529  -2.689
  339    HA   THR  49           HA       THR  49  -2.183   6.406  -1.913
  340    HB   THR  49           HB       THR  49  -2.403   8.785  -1.044
  341    HG1  THR  49           HG1      THR  49  -4.992   8.762  -2.042
  342   1HG2  THR  49          HG23      THR  49  -3.229   7.781  -3.717
  343   2HG2  THR  49          HG22      THR  49  -3.448   9.501  -3.389
  344   3HG2  THR  49          HG21      THR  49  -1.843   8.779  -3.271
  345    H    LEU  50           HN       LEU  50  -1.171   7.359   0.248
  346    HA   LEU  50           HA       LEU  50  -2.562   5.996   2.480
  347   1HB   LEU  50           HB2      LEU  50  -0.757   4.650   2.473
  348   2HB   LEU  50           HB1      LEU  50   0.039   5.649   1.272
  349    HG   LEU  50           HG       LEU  50   0.088   6.828   3.965
  350   1HD1  LEU  50          HD12      LEU  50   1.024   4.055   3.402
  351   2HD1  LEU  50          HD11      LEU  50   1.936   5.077   4.513
  352   3HD1  LEU  50          HD13      LEU  50   0.246   4.700   4.847
  353   1HD2  LEU  50          HD22      LEU  50   1.430   7.353   1.776
  354   2HD2  LEU  50          HD21      LEU  50   2.289   7.368   3.317
  355   3HD2  LEU  50          HD23      LEU  50   2.413   5.968   2.252
  356    H    SER  51           HN       SER  51  -2.100   6.874   4.622
  357    HA   SER  51           HA       SER  51  -1.916   9.781   4.574
  358   1HB   SER  51           HB2      SER  51  -3.015   9.629   6.572
  359   2HB   SER  51           HB1      SER  51  -3.801   8.349   5.793
  360    HG   SER  51           HG       SER  51  -2.875   8.143   8.021
  361    H    HIS  52           HN       HIS  52  -0.754   7.023   6.466
  362    HA   HIS  52           HA       HIS  52   1.902   8.316   6.775
  363   1HB   HIS  52           HB2      HIS  52   1.912   7.937   9.157
  364   2HB   HIS  52           HB1      HIS  52   0.393   8.762   8.793
  365    HD1  HIS  52           HD1      HIS  52   1.659   5.828  10.476
  366    HD2  HIS  52           HD2      HIS  52  -1.805   6.694   8.336
  367    HE1  HIS  52           HE1      HIS  52  -0.015   4.006  11.019
  368    H    PHE  53           HN       PHE  53   3.602   6.713   7.133
  369    HA   PHE  53           HA       PHE  53   2.982   4.106   5.997
  370   1HB   PHE  53           HB2      PHE  53   5.489   5.241   7.259
  371   2HB   PHE  53           HB1      PHE  53   5.387   3.613   6.589
  372    HD1  PHE  53           HD2      PHE  53   5.097   7.221   5.781
  373    HD2  PHE  53           HD1      PHE  53   5.399   3.229   4.221
  374    HE1  PHE  53           HE2      PHE  53   5.474   8.137   3.512
  375    HE2  PHE  53           HE1      PHE  53   5.779   4.147   1.949
  376    HZ   PHE  53           HZ       PHE  53   5.817   6.602   1.593
  377    H    GLY  54           HN       GLY  54   1.973   2.582   7.196
  378   1HA   GLY  54           HA2      GLY  54   2.658   1.076   9.217
  379   2HA   GLY  54           HA1      GLY  54   2.338   2.548  10.124
  380    H    LYS  55           HN       LYS  55   0.692   0.758  10.942
  381    HA   LYS  55           HA       LYS  55  -1.668   0.408   9.357
  382   1HB   LYS  55           HB2      LYS  55  -1.105  -1.332  10.878
  383   2HB   LYS  55           HB1      LYS  55  -0.795  -0.179  12.162
  384   1HG   LYS  55           HG2      LYS  55  -2.904   0.043  12.721
  385   2HG   LYS  55           HG1      LYS  55  -3.450   0.004  11.055
  386   1HD   LYS  55           HD2      LYS  55  -3.713  -2.294  11.042
  387   2HD   LYS  55           HD1      LYS  55  -2.400  -2.542  12.194
  388   1HE   LYS  55           HE2      LYS  55  -5.088  -1.346  12.922
  389   2HE   LYS  55           HE1      LYS  55  -4.672  -3.046  13.141
  390   1HZ   LYS  55           HZ2      LYS  55  -2.781  -2.321  14.516
  391   2HZ   LYS  55           HZ1      LYS  55  -3.315  -0.714  14.382
  392   3HZ   LYS  55           HZ3      LYS  55  -4.280  -1.862  15.172
  393    H    CYS  56           HN       CYS  56  -3.215   1.915   9.243
  394    HA   CYS  56           HA       CYS  56  -3.153   4.413  10.637
  395   1HB   CYS  56           HB2      CYS  56  -4.622   3.291   8.500
  396   2HB   CYS  56           HB1      CYS  56  -5.813   3.771   9.707
   
  No H/Q in entry =         396
  Start of MODEL          11
 Raw file had  401 H/Q atoms
  Start of MODEL   11
    1   1H    LEU   1           HT3      LEU   1  13.245  12.958   0.322
    2   2H    LEU   1           HT2      LEU   1  14.242  11.582   0.257
    3   3H    LEU   1           HT1      LEU   1  12.656  11.515  -0.348
    4    HA   LEU   1           HA       LEU   1  12.172  10.607   1.629
    5   1HB   LEU   1           HB2      LEU   1  14.786  10.819   2.052
    6   2HB   LEU   1           HB1      LEU   1  14.276  12.116   3.134
    7    HG   LEU   1           HG       LEU   1  12.899   9.446   3.250
    8   1HD1  LEU   1          HD13      LEU   1  15.590   9.499   3.478
    9   2HD1  LEU   1          HD12      LEU   1  15.151   9.957   5.124
   10   3HD1  LEU   1          HD11      LEU   1  14.572   8.434   4.449
   11   1HD2  LEU   1          HD22      LEU   1  13.489  11.645   5.258
   12   2HD2  LEU   1          HD21      LEU   1  11.934  11.324   4.492
   13   3HD2  LEU   1          HD23      LEU   1  12.616  10.156   5.623
   14    H    ALA   2           HN       ALA   2  10.268  11.922   1.504
   15    HA   ALA   2           HA       ALA   2   9.838  13.672   3.716
   16   1HB   ALA   2           HB1      ALA   2  11.303  15.047   1.983
   17   2HB   ALA   2           HB3      ALA   2   9.749  15.261   1.176
   18   3HB   ALA   2           HB2      ALA   2   9.966  15.818   2.835
   19    H    ALA   3           HN       ALA   3   8.885  12.857   0.393
   20    HA   ALA   3           HA       ALA   3   6.162  13.660   0.574
   21   1HB   ALA   3           HB1      ALA   3   7.659  11.646  -1.073
   22   2HB   ALA   3           HB3      ALA   3   5.897  11.674  -1.136
   23   3HB   ALA   3           HB2      ALA   3   6.818  13.106  -1.594
   24    H    VAL   4           HN       VAL   4   4.374  11.794   0.413
   25    HA   VAL   4           HA       VAL   4   4.912   9.694   2.445
   26    HB   VAL   4           HB       VAL   4   2.348  11.240   2.633
   27   1HG1  VAL   4          HG13      VAL   4   3.379   9.049   3.928
   28   2HG1  VAL   4          HG12      VAL   4   3.826  10.355   5.024
   29   3HG1  VAL   4          HG11      VAL   4   2.134  10.107   4.592
   30   1HG2  VAL   4          HG22      VAL   4   5.081  12.133   3.522
   31   2HG2  VAL   4          HG21      VAL   4   3.772  13.090   2.827
   32   3HG2  VAL   4          HG23      VAL   4   3.670  12.540   4.500
   33    H    SER   5           HN       SER   5   4.841   8.519   0.296
   34    HA   SER   5           HA       SER   5   2.256   7.272  -0.044
   35   1HB   SER   5           HB2      SER   5   1.593   9.114  -1.366
   36   2HB   SER   5           HB1      SER   5   3.194   9.296  -2.075
   37    HG   SER   5           HG       SER   5   2.854   7.465  -3.275
   38    H    VAL   6           HN       VAL   6   2.399   5.453  -1.562
   39    HA   VAL   6           HA       VAL   6   5.241   4.691  -2.102
   40    HB   VAL   6           HB       VAL   6   4.053   3.248  -0.475
   41   1HG1  VAL   6          HG11      VAL   6   1.914   3.591  -2.282
   42   2HG1  VAL   6          HG13      VAL   6   2.342   1.882  -2.352
   43   3HG1  VAL   6          HG12      VAL   6   1.918   2.623  -0.809
   44   1HG2  VAL   6          HG22      VAL   6   5.744   2.415  -2.288
   45   2HG2  VAL   6          HG21      VAL   6   4.828   1.227  -1.359
   46   3HG2  VAL   6          HG23      VAL   6   4.326   1.643  -2.998
   47    H    ASP   7           HN       ASP   7   5.423   3.133  -3.988
   48    HA   ASP   7           HA       ASP   7   3.762   4.173  -6.235
   49   1HB   ASP   7           HB2      ASP   7   6.253   4.422  -6.378
   50   2HB   ASP   7           HB1      ASP   7   6.390   2.664  -6.355
   51    H    CYS   8           HN       CYS   8   2.654   2.721  -7.588
   52    HA   CYS   8           HA       CYS   8   2.915  -0.181  -7.066
   53   1HB   CYS   8           HB2      CYS   8   0.198   1.139  -6.939
   54   2HB   CYS   8           HB1      CYS   8   0.629  -0.507  -6.478
   55    H    SER   9           HN       SER   9   3.767   0.866  -9.370
   56    HA   SER   9           HA       SER   9   1.556   0.925 -11.328
   57   1HB   SER   9           HB2      SER   9   4.349   1.797 -11.257
   58   2HB   SER   9           HB1      SER   9   3.934   0.973 -12.757
   59    HG   SER   9           HG       SER   9   2.737   3.252 -11.581
   60    H    GLU  10           HN       GLU  10   2.768  -1.524  -9.767
   61    HA   GLU  10           HA       GLU  10   2.930  -3.269 -12.191
   62   1HB   GLU  10           HB2      GLU  10   4.301  -3.883  -9.568
   63   2HB   GLU  10           HB1      GLU  10   4.585  -4.619 -11.147
   64   1HG   GLU  10           HG2      GLU  10   6.276  -3.133 -11.371
   65   2HG   GLU  10           HG1      GLU  10   5.020  -1.919 -11.620
   66    H    TYR  11           HN       TYR  11   1.222  -2.526  -9.385
   67    HA   TYR  11           HA       TYR  11   0.320  -5.213  -8.769
   68   1HB   TYR  11           HB2      TYR  11  -0.637  -2.483  -7.860
   69   2HB   TYR  11           HB1      TYR  11  -1.152  -4.014  -7.159
   70    HD1  TYR  11           HD2      TYR  11   1.659  -1.670  -7.565
   71    HD2  TYR  11           HD1      TYR  11   0.372  -5.361  -5.794
   72    HE1  TYR  11           HE2      TYR  11   3.677  -1.683  -6.129
   73    HE2  TYR  11           HE1      TYR  11   2.388  -5.374  -4.349
   74    HH   TYR  11           HH       TYR  11   4.368  -2.667  -3.945
   75    HA   PRO  12           HA       PRO  12  -1.690  -5.671  -7.691
   76   1HB   PRO  12           HB2      PRO  12  -3.147  -7.919  -8.308
   77   2HB   PRO  12           HB1      PRO  12  -3.882  -6.397  -7.769
   78   1HG   PRO  12           HG2      PRO  12  -3.749  -7.547 -10.532
   79   2HG   PRO  12           HG1      PRO  12  -4.991  -6.513  -9.804
   80   1HD   PRO  12           HD2      PRO  12  -2.985  -5.608 -11.543
   81   2HD   PRO  12           HD1      PRO  12  -3.944  -4.610 -10.489
   82    H    LYS  13           HN       LYS  13  -0.706  -7.726  -7.010
   83    HA   LYS  13           HA       LYS  13   0.923  -9.034  -9.154
   84   1HB   LYS  13           HB2      LYS  13   1.911  -8.889  -6.332
   85   2HB   LYS  13           HB1      LYS  13   2.820  -8.960  -7.837
   86   1HG   LYS  13           HG2      LYS  13   1.336  -6.555  -7.938
   87   2HG   LYS  13           HG1      LYS  13   2.040  -6.640  -6.324
   88   1HD   LYS  13           HD2      LYS  13   3.697  -7.243  -8.767
   89   2HD   LYS  13           HD1      LYS  13   3.467  -5.584  -8.216
   90   1HE   LYS  13           HE2      LYS  13   4.533  -6.001  -6.146
   91   2HE   LYS  13           HE1      LYS  13   4.380  -7.750  -6.323
   92   1HZ   LYS  13           HZ1      LYS  13   5.790  -6.735  -8.526
   93   2HZ   LYS  13           HZ3      LYS  13   6.503  -6.121  -7.114
   94   3HZ   LYS  13           HZ2      LYS  13   6.337  -7.800  -7.320
   95    HA   PRO  14           HA       PRO  14  -1.002 -12.668  -7.549
   96   1HB   PRO  14           HB2      PRO  14   0.593 -14.508  -8.822
   97   2HB   PRO  14           HB1      PRO  14  -0.687 -13.590  -9.632
   98   1HG   PRO  14           HG2      PRO  14   2.266 -13.230  -9.788
   99   2HG   PRO  14           HG1      PRO  14   1.021 -12.812 -10.976
  100   1HD   PRO  14           HD2      PRO  14   2.325 -11.013  -9.259
  101   2HD   PRO  14           HD1      PRO  14   0.877 -10.672 -10.168
  102    H    ALA  15           HN       ALA  15   1.639 -11.434  -6.295
  103    HA   ALA  15           HA       ALA  15   1.961 -13.587  -4.327
  104   1HB   ALA  15           HB3      ALA  15   3.618 -13.858  -6.386
  105   2HB   ALA  15           HB2      ALA  15   4.517 -12.602  -5.536
  106   3HB   ALA  15           HB1      ALA  15   4.177 -14.136  -4.736
  107    H    CYS  16           HN       CYS  16   1.237 -12.040  -2.788
  108    HA   CYS  16           HA       CYS  16   2.556  -9.434  -2.588
  109   1HB   CYS  16           HB2      CYS  16   0.569 -10.856  -0.787
  110   2HB   CYS  16           HB1      CYS  16   1.198  -9.243  -0.467
  111    H    THR  17           HN       THR  17   4.411  -9.052  -1.475
  112    HA   THR  17           HA       THR  17   6.060 -11.007  -0.370
  113    HB   THR  17           HB       THR  17   6.860  -8.993   1.152
  114    HG1  THR  17           HG1      THR  17   6.172  -7.022   0.234
  115   1HG2  THR  17          HG23      THR  17   7.025  -9.324  -1.827
  116   2HG2  THR  17          HG22      THR  17   7.808  -7.945  -1.056
  117   3HG2  THR  17          HG21      THR  17   8.271  -9.586  -0.607
  118    H    LEU  18           HN       LEU  18   6.655 -11.097   2.096
  119    HA   LEU  18           HA       LEU  18   4.092 -11.540   3.545
  120   1HB   LEU  18           HB2      LEU  18   5.270 -13.126   4.906
  121   2HB   LEU  18           HB1      LEU  18   5.773 -13.437   3.244
  122    HG   LEU  18           HG       LEU  18   7.682 -11.711   3.807
  123   1HD1  LEU  18          HD12      LEU  18   6.331 -11.941   6.306
  124   2HD1  LEU  18          HD11      LEU  18   7.906 -12.713   6.484
  125   3HD1  LEU  18          HD13      LEU  18   7.802 -11.035   5.949
  126   1HD2  LEU  18          HD22      LEU  18   7.769 -14.274   3.391
  127   2HD2  LEU  18          HD21      LEU  18   9.122 -13.532   4.244
  128   3HD2  LEU  18          HD23      LEU  18   7.885 -14.409   5.145
  129    H    GLU  19           HN       GLU  19   6.986  -9.620   3.556
  130    HA   GLU  19           HA       GLU  19   7.350  -8.845   6.185
  131   1HB   GLU  19           HB2      GLU  19   7.249  -7.113   3.701
  132   2HB   GLU  19           HB1      GLU  19   7.784  -6.511   5.270
  133   1HG   GLU  19           HG2      GLU  19   9.823  -7.400   4.946
  134   2HG   GLU  19           HG1      GLU  19   9.109  -8.999   4.736
  135    H    TYR  20           HN       TYR  20   6.019  -8.016   7.742
  136    HA   TYR  20           HA       TYR  20   3.300  -7.209   6.936
  137   1HB   TYR  20           HB2      TYR  20   3.550  -8.700   8.872
  138   2HB   TYR  20           HB1      TYR  20   4.531  -7.481   9.692
  139    HD1  TYR  20           HD2      TYR  20   1.312  -7.500   7.757
  140    HD2  TYR  20           HD1      TYR  20   3.375  -6.286  11.324
  141    HE1  TYR  20           HE2      TYR  20  -0.748  -6.379   8.563
  142    HE2  TYR  20           HE1      TYR  20   1.315  -5.164  12.133
  143    HH   TYR  20           HH       TYR  20  -0.737  -4.402  11.486
  144    H    ARG  21           HN       ARG  21   3.393  -5.164   6.080
  145    HA   ARG  21           HA       ARG  21   4.299  -3.009   7.938
  146   1HB   ARG  21           HB2      ARG  21   4.550  -2.847   4.925
  147   2HB   ARG  21           HB1      ARG  21   5.254  -1.768   6.130
  148   1HG   ARG  21           HG2      ARG  21   6.281  -4.168   6.927
  149   2HG   ARG  21           HG1      ARG  21   6.200  -4.402   5.180
  150   1HD   ARG  21           HD2      ARG  21   7.860  -2.905   4.787
  151   2HD   ARG  21           HD1      ARG  21   7.227  -1.762   5.972
  152    HE   ARG  21           HE       ARG  21   8.918  -4.122   6.704
  153   1HH1  ARG  21          HH21      ARG  21   7.757  -3.187   9.112
  154   2HH1  ARG  21          HH22      ARG  21   8.750  -1.860   9.613
  155   1HH2  ARG  21          HH11      ARG  21  10.205  -1.425   6.496
  156   2HH2  ARG  21          HH12      ARG  21  10.135  -0.861   8.133
  157    HA   PRO  22           HA       PRO  22  -0.082  -2.426   6.942
  158   1HB   PRO  22           HB2      PRO  22  -0.598  -0.993   9.251
  159   2HB   PRO  22           HB1      PRO  22  -0.646  -2.772   9.140
  160   1HG   PRO  22           HG2      PRO  22   1.467  -1.008  10.321
  161   2HG   PRO  22           HG1      PRO  22   0.989  -2.652  10.780
  162   1HD   PRO  22           HD2      PRO  22   3.257  -2.022   9.272
  163   2HD   PRO  22           HD1      PRO  22   2.478  -3.618   9.311
  164    H    LEU  23           HN       LEU  23  -0.048  -0.926   5.258
  165    HA   LEU  23           HA       LEU  23   0.913   1.822   5.881
  166   1HB   LEU  23           HB2      LEU  23  -0.048   0.849   3.187
  167   2HB   LEU  23           HB1      LEU  23   1.068   2.167   3.542
  168    HG   LEU  23           HG       LEU  23   1.850  -0.568   4.448
  169   1HD1  LEU  23          HD13      LEU  23   1.478   0.267   1.613
  170   2HD1  LEU  23          HD12      LEU  23   2.953  -0.612   2.010
  171   3HD1  LEU  23          HD11      LEU  23   1.379  -1.339   2.333
  172   1HD2  LEU  23          HD21      LEU  23   3.084   1.774   4.624
  173   2HD2  LEU  23          HD23      LEU  23   3.996   0.301   4.296
  174   3HD2  LEU  23          HD22      LEU  23   3.573   1.389   2.974
  175    H    CYS  24           HN       CYS  24  -0.598   3.305   6.452
  176    HA   CYS  24           HA       CYS  24  -3.439   2.624   6.065
  177   1HB   CYS  24           HB2      CYS  24  -1.962   4.718   7.644
  178   2HB   CYS  24           HB1      CYS  24  -3.694   4.851   7.377
  179    H    GLY  25           HN       GLY  25  -4.396   3.192   4.229
  180   1HA   GLY  25           HA2      GLY  25  -3.434   4.807   2.212
  181   2HA   GLY  25           HA1      GLY  25  -5.093   4.584   2.505
  182    H    SER  26           HN       SER  26  -4.720   7.070   1.625
  183    HA   SER  26           HA       SER  26  -4.185   8.855   3.925
  184   1HB   SER  26           HB2      SER  26  -5.486  10.356   1.961
  185   2HB   SER  26           HB1      SER  26  -3.744  10.210   2.171
  186    HG   SER  26           HG       SER  26  -5.167   9.426   0.134
  187    H    ASP  27           HN       ASP  27  -6.659   6.827   3.214
  188    HA   ASP  27           HA       ASP  27  -8.747   8.675   4.284
  189   1HB   ASP  27           HB2      ASP  27 -10.378   7.075   3.289
  190   2HB   ASP  27           HB1      ASP  27  -9.313   7.783   2.074
  191    H    ASN  28           HN       ASN  28  -6.642   6.382   5.295
  192    HA   ASN  28           HA       ASN  28  -6.569   5.396   7.455
  193   1HB   ASN  28           HB2      ASN  28  -8.602   6.876   8.004
  194   2HB   ASN  28           HB1      ASN  28  -9.583   5.480   7.559
  195   1HD2  ASN  28          HD22      ASN  28  -7.638   5.511  11.120
  196   2HD2  ASN  28          HD21      ASN  28  -7.519   6.817  10.041
  197    H    LYS  29           HN       LYS  29  -6.726   4.047   4.882
  198    HA   LYS  29           HA       LYS  29  -8.286   1.599   5.589
  199   1HB   LYS  29           HB2      LYS  29  -8.343   2.857   3.246
  200   2HB   LYS  29           HB1      LYS  29  -6.884   1.908   2.959
  201   1HG   LYS  29           HG2      LYS  29  -8.385   0.321   2.281
  202   2HG   LYS  29           HG1      LYS  29  -8.487  -0.008   4.011
  203   1HD   LYS  29           HD2      LYS  29 -10.740   0.250   3.426
  204   2HD   LYS  29           HD1      LYS  29 -10.318   1.864   3.998
  205   1HE   LYS  29           HE2      LYS  29 -10.713   2.760   1.969
  206   2HE   LYS  29           HE1      LYS  29  -9.675   1.569   1.185
  207   1HZ   LYS  29           HZ1      LYS  29 -11.736   0.037   1.705
  208   2HZ   LYS  29           HZ3      LYS  29 -12.562   1.517   1.631
  209   3HZ   LYS  29           HZ2      LYS  29 -11.660   0.983   0.295
  210    H    THR  30           HN       THR  30  -6.952   0.402   6.932
  211    HA   THR  30           HA       THR  30  -4.072   0.340   6.595
  212    HB   THR  30           HB       THR  30  -5.903  -1.429   8.237
  213    HG1  THR  30           HG1      THR  30  -6.001   0.537   9.108
  214   1HG2  THR  30          HG22      THR  30  -2.917  -1.230   7.960
  215   2HG2  THR  30          HG21      THR  30  -3.628  -1.703   9.503
  216   3HG2  THR  30          HG23      THR  30  -3.930  -2.670   8.059
  217    H    TYR  31           HN       TYR  31  -2.911  -0.942   5.283
  218    HA   TYR  31           HA       TYR  31  -4.196  -3.430   4.225
  219   1HB   TYR  31           HB2      TYR  31  -2.526  -1.337   2.885
  220   2HB   TYR  31           HB1      TYR  31  -2.349  -3.012   2.356
  221    HD1  TYR  31           HD2      TYR  31  -4.710  -4.302   2.150
  222    HD2  TYR  31           HD1      TYR  31  -4.178  -0.061   1.781
  223    HE1  TYR  31           HE2      TYR  31  -6.823  -4.151   0.870
  224    HE2  TYR  31           HE1      TYR  31  -6.291   0.092   0.503
  225    HH   TYR  31           HH       TYR  31  -8.593  -2.170   0.483
  226    H    GLY  32           HN       GLY  32  -3.159  -5.269   4.793
  227   1HA   GLY  32           HA2      GLY  32  -1.372  -5.541   6.783
  228   2HA   GLY  32           HA1      GLY  32  -1.386  -6.693   5.471
  229    H    ASN  33           HN       ASN  33  -0.192  -5.501   3.393
  230    HA   ASN  33           HA       ASN  33   2.263  -4.203   4.456
  231   1HB   ASN  33           HB2      ASN  33   3.690  -5.721   3.103
  232   2HB   ASN  33           HB1      ASN  33   2.827  -6.551   4.374
  233   1HD2  ASN  33          HD22      ASN  33   2.373  -8.551   1.280
  234   2HD2  ASN  33          HD21      ASN  33   3.684  -8.105   2.259
  235    H    LYS  34           HN       LYS  34   3.759  -4.148   2.203
  236    HA   LYS  34           HA       LYS  34   2.734  -1.967   0.769
  237   1HB   LYS  34           HB2      LYS  34   4.708  -2.178  -0.509
  238   2HB   LYS  34           HB1      LYS  34   5.142  -2.835   1.054
  239   1HG   LYS  34           HG2      LYS  34   4.778  -5.114   0.242
  240   2HG   LYS  34           HG1      LYS  34   4.230  -4.493  -1.316
  241   1HD   LYS  34           HD2      LYS  34   6.896  -3.551  -0.397
  242   2HD   LYS  34           HD1      LYS  34   6.784  -5.246  -0.874
  243   1HE   LYS  34           HE2      LYS  34   5.875  -4.628  -3.044
  244   2HE   LYS  34           HE1      LYS  34   5.817  -2.930  -2.573
  245   1HZ   LYS  34           HZ3      LYS  34   8.301  -3.187  -2.173
  246   2HZ   LYS  34           HZ2      LYS  34   8.187  -4.620  -3.077
  247   3HZ   LYS  34           HZ1      LYS  34   7.776  -3.131  -3.785
  248    H    CYS  35           HN       CYS  35   2.602  -5.448   0.000
  249    HA   CYS  35           HA       CYS  35   1.607  -5.009  -2.680
  250   1HB   CYS  35           HB2      CYS  35   2.718  -7.114  -2.024
  251   2HB   CYS  35           HB1      CYS  35   1.386  -7.466  -0.924
  252    H    ASN  36           HN       ASN  36   0.071  -5.521   0.469
  253    HA   ASN  36           HA       ASN  36  -2.598  -5.716  -0.691
  254   1HB   ASN  36           HB2      ASN  36  -1.447  -5.619   2.062
  255   2HB   ASN  36           HB1      ASN  36  -3.144  -5.200   1.863
  256   1HD2  ASN  36          HD22      ASN  36  -1.944  -9.064   1.413
  257   2HD2  ASN  36          HD21      ASN  36  -0.817  -7.825   1.668
  258    H    PHE  37           HN       PHE  37  -0.486  -3.169   0.356
  259    HA   PHE  37           HA       PHE  37  -2.617  -1.145   0.560
  260   1HB   PHE  37           HB2      PHE  37  -0.449  -1.094   1.831
  261   2HB   PHE  37           HB1      PHE  37   0.381  -0.687   0.432
  262    HD1  PHE  37           HD1      PHE  37  -2.556   0.533   2.382
  263    HD2  PHE  37           HD2      PHE  37   0.622   1.367  -0.341
  264    HE1  PHE  37           HE1      PHE  37  -3.176   2.923   2.408
  265    HE2  PHE  37           HE2      PHE  37   0.031   3.766  -0.331
  266    HZ   PHE  37           HZ       PHE  37  -1.872   4.568   1.056
  267    H    CYS  38           HN       CYS  38  -0.251  -2.283  -1.591
  268    HA   CYS  38           HA       CYS  38  -0.482  -0.085  -3.491
  269   1HB   CYS  38           HB2      CYS  38   1.031  -2.626  -3.348
  270   2HB   CYS  38           HB1      CYS  38   0.609  -2.092  -4.965
  271    H    ASN  39           HN       ASN  39  -1.474  -3.545  -3.661
  272    HA   ASN  39           HA       ASN  39  -2.837  -3.557  -6.065
  273   1HB   ASN  39           HB2      ASN  39  -3.766  -4.764  -3.433
  274   2HB   ASN  39           HB1      ASN  39  -4.451  -5.170  -5.006
  275   1HD2  ASN  39          HD22      ASN  39  -1.623  -7.539  -4.080
  276   2HD2  ASN  39          HD21      ASN  39  -2.974  -7.007  -3.201
  277    H    ALA  40           HN       ALA  40  -3.780  -1.963  -3.090
  278    HA   ALA  40           HA       ALA  40  -6.459  -1.288  -4.025
  279   1HB   ALA  40           HB3      ALA  40  -5.193  -1.274  -1.564
  280   2HB   ALA  40           HB2      ALA  40  -5.270   0.443  -1.962
  281   3HB   ALA  40           HB1      ALA  40  -6.750  -0.515  -1.900
  282    H    VAL  41           HN       VAL  41  -3.357   0.389  -3.681
  283    HA   VAL  41           HA       VAL  41  -4.066   2.942  -4.630
  284    HB   VAL  41           HB       VAL  41  -1.531   1.330  -5.013
  285   1HG1  VAL  41          HG13      VAL  41  -2.059   4.274  -5.511
  286   2HG1  VAL  41          HG12      VAL  41  -0.467   3.516  -5.528
  287   3HG1  VAL  41          HG11      VAL  41  -1.672   3.064  -6.733
  288   1HG2  VAL  41          HG23      VAL  41  -2.708   2.686  -2.783
  289   2HG2  VAL  41          HG22      VAL  41  -1.151   1.861  -2.862
  290   3HG2  VAL  41          HG21      VAL  41  -1.263   3.574  -3.267
  291    H    VAL  42           HN       VAL  42  -3.264   0.004  -6.430
  292    HA   VAL  42           HA       VAL  42  -3.493   1.364  -8.999
  293    HB   VAL  42           HB       VAL  42  -1.778  -0.288  -8.855
  294   1HG1  VAL  42          HG12      VAL  42  -3.905  -1.929  -7.525
  295   2HG1  VAL  42          HG11      VAL  42  -2.545  -2.723  -8.318
  296   3HG1  VAL  42          HG13      VAL  42  -2.256  -1.597  -6.993
  297   1HG2  VAL  42          HG23      VAL  42  -3.898  -0.501 -10.662
  298   2HG2  VAL  42          HG22      VAL  42  -2.278  -1.173 -10.852
  299   3HG2  VAL  42          HG21      VAL  42  -3.564  -2.156 -10.154
  300    H    GLU  43           HN       GLU  43  -5.494  -0.594  -6.888
  301    HA   GLU  43           HA       GLU  43  -7.451  -1.058  -9.063
  302   1HB   GLU  43           HB2      GLU  43  -6.801  -2.692  -7.058
  303   2HB   GLU  43           HB1      GLU  43  -8.042  -1.778  -6.221
  304   1HG   GLU  43           HG2      GLU  43  -9.358  -2.208  -8.514
  305   2HG   GLU  43           HG1      GLU  43  -8.295  -3.615  -8.552
  306    H    SER  44           HN       SER  44  -6.682   1.588  -7.606
  307    HA   SER  44           HA       SER  44  -9.516   2.445  -7.198
  308   1HB   SER  44           HB2      SER  44  -8.995   3.599  -5.202
  309   2HB   SER  44           HB1      SER  44  -8.139   2.069  -5.034
  310    HG   SER  44           HG       SER  44  -6.356   3.162  -4.995
  311    H    ASN  45           HN       ASN  45  -7.266   2.746  -9.329
  312    HA   ASN  45           HA       ASN  45  -6.622   4.442 -10.819
  313   1HB   ASN  45           HB2      ASN  45  -9.048   5.576  -9.478
  314   2HB   ASN  45           HB1      ASN  45  -8.040   6.660 -10.430
  315   1HD2  ASN  45          HD22      ASN  45  -9.099   5.347 -13.528
  316   2HD2  ASN  45          HD21      ASN  45  -8.129   6.482 -12.721
  317    H    GLY  46           HN       GLY  46  -5.559   4.180  -7.985
  318   1HA   GLY  46           HA2      GLY  46  -3.913   5.264  -6.727
  319   2HA   GLY  46           HA1      GLY  46  -3.729   6.393  -8.063
  320    H    THR  47           HN       THR  47  -6.796   5.860  -6.464
  321    HA   THR  47           HA       THR  47  -6.784   8.700  -5.602
  322    HB   THR  47           HB       THR  47  -9.165   8.486  -5.390
  323    HG1  THR  47           HG1      THR  47 -10.140   6.599  -5.131
  324   1HG2  THR  47          HG22      THR  47  -7.820   7.439  -7.782
  325   2HG2  THR  47          HG21      THR  47  -9.506   6.938  -7.646
  326   3HG2  THR  47          HG23      THR  47  -9.093   8.652  -7.647
  327    H    LEU  48           HN       LEU  48  -5.971   5.722  -4.348
  328    HA   LEU  48           HA       LEU  48  -7.038   6.087  -1.655
  329   1HB   LEU  48           HB2      LEU  48  -6.810   3.824  -2.207
  330   2HB   LEU  48           HB1      LEU  48  -5.281   4.083  -3.042
  331    HG   LEU  48           HG       LEU  48  -4.122   4.403  -0.937
  332   1HD1  LEU  48          HD12      LEU  48  -6.854   4.816   0.022
  333   2HD1  LEU  48          HD11      LEU  48  -5.918   3.747   1.065
  334   3HD1  LEU  48          HD13      LEU  48  -5.332   5.370   0.712
  335   1HD2  LEU  48          HD22      LEU  48  -5.937   2.014  -1.145
  336   2HD2  LEU  48          HD21      LEU  48  -4.198   2.108  -1.419
  337   3HD2  LEU  48          HD23      LEU  48  -4.836   2.177   0.224
  338    H    THR  49           HN       THR  49  -3.698   5.482  -2.532
  339    HA   THR  49           HA       THR  49  -1.683   6.433  -1.864
  340    HB   THR  49           HB       THR  49  -1.572   8.659  -2.190
  341    HG1  THR  49           HG1      THR  49  -1.851   9.607  -0.365
  342   1HG2  THR  49          HG23      THR  49  -3.887   7.935  -3.338
  343   2HG2  THR  49          HG22      THR  49  -4.511   9.107  -2.176
  344   3HG2  THR  49          HG21      THR  49  -3.302   9.598  -3.360
  345    H    LEU  50           HN       LEU  50  -0.806   7.636   0.327
  346    HA   LEU  50           HA       LEU  50  -2.445   6.588   2.550
  347   1HB   LEU  50           HB2      LEU  50  -0.953   4.942   2.763
  348   2HB   LEU  50           HB1      LEU  50   0.079   5.650   1.533
  349    HG   LEU  50           HG       LEU  50   0.067   6.752   4.328
  350   1HD1  LEU  50          HD12      LEU  50   0.368   4.225   4.199
  351   2HD1  LEU  50          HD11      LEU  50   1.873   4.571   3.344
  352   3HD1  LEU  50          HD13      LEU  50   1.645   5.145   4.997
  353   1HD2  LEU  50          HD22      LEU  50   1.214   7.862   2.298
  354   2HD2  LEU  50          HD21      LEU  50   2.226   7.569   3.711
  355   3HD2  LEU  50          HD23      LEU  50   2.317   6.486   2.323
  356    H    SER  51           HN       SER  51  -1.745   7.463   4.680
  357    HA   SER  51           HA       SER  51  -0.819  10.281   4.369
  358   1HB   SER  51           HB2      SER  51  -3.193   9.186   5.591
  359   2HB   SER  51           HB1      SER  51  -2.196   9.888   6.816
  360    HG   SER  51           HG       SER  51  -3.057  11.682   6.136
  361    H    HIS  52           HN       HIS  52  -0.501   7.239   6.056
  362    HA   HIS  52           HA       HIS  52   2.054   8.123   7.180
  363   1HB   HIS  52           HB2      HIS  52   1.477   7.703   9.511
  364   2HB   HIS  52           HB1      HIS  52   0.398   8.934   8.856
  365    HD1  HIS  52           HD1      HIS  52   0.194   6.150  10.953
  366    HD2  HIS  52           HD2      HIS  52  -2.049   7.308   7.626
  367    HE1  HIS  52           HE1      HIS  52  -2.023   4.938  11.121
  368    H    PHE  53           HN       PHE  53   3.417   6.377   7.468
  369    HA   PHE  53           HA       PHE  53   2.481   3.791   6.497
  370   1HB   PHE  53           HB2      PHE  53   5.163   4.618   7.645
  371   2HB   PHE  53           HB1      PHE  53   4.816   3.089   6.839
  372    HD1  PHE  53           HD2      PHE  53   4.927   6.775   6.356
  373    HD2  PHE  53           HD1      PHE  53   4.741   2.924   4.461
  374    HE1  PHE  53           HE2      PHE  53   5.336   7.838   4.153
  375    HE2  PHE  53           HE1      PHE  53   5.149   3.988   2.259
  376    HZ   PHE  53           HZ       PHE  53   5.448   6.445   2.105
  377    H    GLY  54           HN       GLY  54   1.374   2.500   7.845
  378   1HA   GLY  54           HA2      GLY  54   2.133   1.070   9.958
  379   2HA   GLY  54           HA1      GLY  54   1.835   2.608  10.733
  380    H    LYS  55           HN       LYS  55   0.222   0.952  11.737
  381    HA   LYS  55           HA       LYS  55  -2.228   0.569  10.176
  382   1HB   LYS  55           HB2      LYS  55  -2.744   0.210  12.978
  383   2HB   LYS  55           HB1      LYS  55  -2.647  -1.017  11.721
  384   1HG   LYS  55           HG2      LYS  55  -0.097  -0.885  12.015
  385   2HG   LYS  55           HG1      LYS  55  -0.436  -0.006  13.507
  386   1HD   LYS  55           HD2      LYS  55  -2.156  -2.217  13.581
  387   2HD   LYS  55           HD1      LYS  55  -0.627  -2.858  12.974
  388   1HE   LYS  55           HE2      LYS  55  -0.776  -1.054  15.395
  389   2HE   LYS  55           HE1      LYS  55  -0.883  -2.811  15.517
  390   1HZ   LYS  55           HZ1      LYS  55   1.292  -1.935  13.870
  391   2HZ   LYS  55           HZ3      LYS  55   1.412  -1.354  15.458
  392   3HZ   LYS  55           HZ2      LYS  55   1.291  -3.024  15.174
  393    H    CYS  56           HN       CYS  56  -4.194   1.633  10.574
  394    HA   CYS  56           HA       CYS  56  -3.846   4.423  11.299
  395   1HB   CYS  56           HB2      CYS  56  -6.548   3.252  10.790
  396   2HB   CYS  56           HB1      CYS  56  -5.873   4.787  10.256
   
  No H/Q in entry =         396
  Start of MODEL          12
 Raw file had  401 H/Q atoms
  Start of MODEL   12
    1   1H    LEU   1           HT1      LEU   1  12.147  16.233   2.237
    2   2H    LEU   1           HT3      LEU   1  12.468  16.641   3.853
    3   3H    LEU   1           HT2      LEU   1  12.807  15.074   3.291
    4    HA   LEU   1           HA       LEU   1  10.724  14.369   3.563
    5   1HB   LEU   1           HB2      LEU   1  10.647  16.992   5.083
    6   2HB   LEU   1           HB1      LEU   1   9.440  15.717   5.253
    7    HG   LEU   1           HG       LEU   1  12.322  14.971   5.538
    8   1HD1  LEU   1          HD12      LEU   1  10.744  16.694   7.414
    9   2HD1  LEU   1          HD11      LEU   1  11.820  15.473   8.094
   10   3HD1  LEU   1          HD13      LEU   1  12.468  16.732   7.042
   11   1HD2  LEU   1          HD23      LEU   1   9.743  13.807   5.967
   12   2HD2  LEU   1          HD22      LEU   1  11.325  13.060   6.192
   13   3HD2  LEU   1          HD21      LEU   1  10.558  13.920   7.527
   14    H    ALA   2           HN       ALA   2  10.059  14.584   1.309
   15    HA   ALA   2           HA       ALA   2   8.150  16.850   0.892
   16   1HB   ALA   2           HB1      ALA   2  10.377  16.272  -0.637
   17   2HB   ALA   2           HB3      ALA   2   9.083  15.472  -1.528
   18   3HB   ALA   2           HB2      ALA   2   8.983  17.199  -1.188
   19    H    ALA   3           HN       ALA   3   6.323  15.709   1.655
   20    HA   ALA   3           HA       ALA   3   4.513  14.227   1.508
   21   1HB   ALA   3           HB1      ALA   3   4.500  15.166  -0.825
   22   2HB   ALA   3           HB3      ALA   3   5.500  13.802  -1.325
   23   3HB   ALA   3           HB2      ALA   3   3.867  13.523  -0.719
   24    H    VAL   4           HN       VAL   4   3.988  11.882   1.272
   25    HA   VAL   4           HA       VAL   4   6.340  10.093   1.011
   26    HB   VAL   4           HB       VAL   4   4.515   9.840   3.403
   27   1HG1  VAL   4          HG12      VAL   4   6.283   8.090   2.377
   28   2HG1  VAL   4          HG11      VAL   4   7.387   9.044   3.369
   29   3HG1  VAL   4          HG13      VAL   4   6.005   8.239   4.113
   30   1HG2  VAL   4          HG22      VAL   4   5.626  12.101   3.385
   31   2HG2  VAL   4          HG21      VAL   4   6.125  11.077   4.733
   32   3HG2  VAL   4          HG23      VAL   4   7.186  11.279   3.338
   33    H    SER   5           HN       SER   5   5.555   8.796  -0.612
   34    HA   SER   5           HA       SER   5   2.880   7.544  -0.154
   35   1HB   SER   5           HB2      SER   5   3.898   8.178  -2.918
   36   2HB   SER   5           HB1      SER   5   2.250   7.825  -2.407
   37    HG   SER   5           HG       SER   5   2.789  10.101  -2.811
   38    H    VAL   6           HN       VAL   6   3.124   5.961  -2.598
   39    HA   VAL   6           HA       VAL   6   5.563   4.339  -2.095
   40    HB   VAL   6           HB       VAL   6   4.002   3.211  -0.695
   41   1HG1  VAL   6          HG11      VAL   6   2.075   3.814  -2.925
   42   2HG1  VAL   6          HG13      VAL   6   1.745   2.494  -1.802
   43   3HG1  VAL   6          HG12      VAL   6   1.911   4.144  -1.200
   44   1HG2  VAL   6          HG21      VAL   6   5.235   1.746  -2.301
   45   2HG2  VAL   6          HG23      VAL   6   3.680   1.068  -1.816
   46   3HG2  VAL   6          HG22      VAL   6   3.853   1.836  -3.394
   47    H    ASP   7           HN       ASP   7   5.803   2.640  -3.833
   48    HA   ASP   7           HA       ASP   7   5.081   3.834  -6.439
   49   1HB   ASP   7           HB2      ASP   7   7.388   3.155  -6.202
   50   2HB   ASP   7           HB1      ASP   7   6.910   1.548  -5.652
   51    H    CYS   8           HN       CYS   8   4.201   2.393  -8.167
   52    HA   CYS   8           HA       CYS   8   2.749   0.008  -7.156
   53   1HB   CYS   8           HB2      CYS   8   1.504   2.520  -8.214
   54   2HB   CYS   8           HB1      CYS   8   0.745   0.972  -8.577
   55    H    SER   9           HN       SER   9   4.997   0.024  -8.828
   56    HA   SER   9           HA       SER   9   3.990  -0.265 -11.591
   57   1HB   SER   9           HB2      SER   9   6.547   0.258 -10.370
   58   2HB   SER   9           HB1      SER   9   6.673  -1.152 -11.417
   59    HG   SER   9           HG       SER   9   6.516   1.419 -12.090
   60    H    GLU  10           HN       GLU  10   3.563  -2.140  -9.086
   61    HA   GLU  10           HA       GLU  10   3.773  -4.617 -10.693
   62   1HB   GLU  10           HB2      GLU  10   4.865  -4.551  -7.873
   63   2HB   GLU  10           HB1      GLU  10   5.008  -5.848  -9.058
   64   1HG   GLU  10           HG2      GLU  10   7.109  -4.812  -9.175
   65   2HG   GLU  10           HG1      GLU  10   6.234  -4.063 -10.509
   66    H    TYR  11           HN       TYR  11   1.394  -3.317 -10.049
   67    HA   TYR  11           HA       TYR  11   0.134  -5.328  -8.361
   68   1HB   TYR  11           HB2      TYR  11  -0.207  -2.395  -7.700
   69   2HB   TYR  11           HB1      TYR  11  -0.795  -3.782  -6.778
   70    HD1  TYR  11           HD1      TYR  11   0.805  -5.274  -5.582
   71    HD2  TYR  11           HD2      TYR  11   2.100  -1.703  -7.579
   72    HE1  TYR  11           HE1      TYR  11   2.980  -5.390  -4.392
   73    HE2  TYR  11           HE2      TYR  11   4.269  -1.818  -6.387
   74    HH   TYR  11           HH       TYR  11   4.826  -4.120  -3.812
   75    HA   PRO  12           HA       PRO  12  -1.917  -5.165  -7.365
   76   1HB   PRO  12           HB2      PRO  12  -3.905  -6.998  -7.917
   77   2HB   PRO  12           HB1      PRO  12  -4.227  -5.311  -7.479
   78   1HG   PRO  12           HG2      PRO  12  -4.362  -6.615 -10.169
   79   2HG   PRO  12           HG1      PRO  12  -5.280  -5.233  -9.546
   80   1HD   PRO  12           HD2      PRO  12  -3.054  -5.055 -11.250
   81   2HD   PRO  12           HD1      PRO  12  -3.741  -3.746 -10.350
   82    H    LYS  13           HN       LYS  13  -1.598  -7.453  -6.572
   83    HA   LYS  13           HA       LYS  13  -0.228  -9.157  -8.616
   84   1HB   LYS  13           HB2      LYS  13   0.847  -7.891  -6.276
   85   2HB   LYS  13           HB1      LYS  13   0.866  -9.636  -6.030
   86   1HG   LYS  13           HG2      LYS  13   1.794  -9.632  -8.520
   87   2HG   LYS  13           HG1      LYS  13   2.293  -7.995  -8.083
   88   1HD   LYS  13           HD2      LYS  13   3.257  -9.092  -5.938
   89   2HD   LYS  13           HD1      LYS  13   3.113 -10.603  -6.819
   90   1HE   LYS  13           HE2      LYS  13   4.520  -9.738  -8.617
   91   2HE   LYS  13           HE1      LYS  13   4.603  -8.165  -7.823
   92   1HZ   LYS  13           HZ1      LYS  13   5.372 -10.458  -6.212
   93   2HZ   LYS  13           HZ3      LYS  13   6.422 -10.066  -7.485
   94   3HZ   LYS  13           HZ2      LYS  13   6.061  -8.906  -6.297
   95    HA   PRO  14           HA       PRO  14  -2.901 -12.305  -7.005
   96   1HB   PRO  14           HB2      PRO  14  -1.653 -14.442  -8.199
   97   2HB   PRO  14           HB1      PRO  14  -2.705 -13.311  -9.069
   98   1HG   PRO  14           HG2      PRO  14   0.267 -13.533  -9.126
   99   2HG   PRO  14           HG1      PRO  14  -0.834 -12.908 -10.364
  100   1HD   PRO  14           HD2      PRO  14   0.744 -11.351  -8.625
  101   2HD   PRO  14           HD1      PRO  14  -0.594 -10.763  -9.598
  102    H    ALA  15           HN       ALA  15  -0.118 -11.556  -5.711
  103    HA   ALA  15           HA       ALA  15  -0.235 -13.262  -3.459
  104   1HB   ALA  15           HB2      ALA  15   1.600 -14.151  -5.682
  105   2HB   ALA  15           HB1      ALA  15   2.021 -14.474  -3.999
  106   3HB   ALA  15           HB3      ALA  15   0.530 -15.130  -4.678
  107    H    CYS  16           HN       CYS  16   1.017 -12.253  -1.861
  108    HA   CYS  16           HA       CYS  16   3.233 -10.501  -2.806
  109   1HB   CYS  16           HB2      CYS  16   1.095  -9.580  -0.870
  110   2HB   CYS  16           HB1      CYS  16   2.442  -8.628  -1.488
  111    H    THR  17           HN       THR  17   5.002 -11.008  -1.647
  112    HA   THR  17           HA       THR  17   4.728 -12.217   1.034
  113    HB   THR  17           HB       THR  17   7.319 -12.034   0.928
  114    HG1  THR  17           HG1      THR  17   7.001 -12.041  -1.831
  115   1HG2  THR  17          HG22      THR  17   5.511 -13.830  -0.640
  116   2HG2  THR  17          HG21      THR  17   7.248 -13.972  -0.908
  117   3HG2  THR  17          HG23      THR  17   6.582 -14.213   0.707
  118    H    LEU  18           HN       LEU  18   7.420 -10.202   0.848
  119    HA   LEU  18           HA       LEU  18   7.892  -8.213   1.915
  120   1HB   LEU  18           HB2      LEU  18   5.187  -7.794   0.717
  121   2HB   LEU  18           HB1      LEU  18   5.869  -6.553   1.774
  122    HG   LEU  18           HG       LEU  18   7.617  -7.697  -0.362
  123   1HD1  LEU  18          HD11      LEU  18   5.159  -6.072  -0.811
  124   2HD1  LEU  18          HD13      LEU  18   6.601  -5.618  -1.718
  125   3HD1  LEU  18          HD12      LEU  18   5.941  -7.245  -1.870
  126   1HD2  LEU  18          HD23      LEU  18   7.231  -4.993   0.951
  127   2HD2  LEU  18          HD22      LEU  18   8.591  -6.098   1.153
  128   3HD2  LEU  18          HD21      LEU  18   8.348  -5.269  -0.386
  129    H    GLU  19           HN       GLU  19   8.166  -8.943   3.885
  130    HA   GLU  19           HA       GLU  19   6.543 -10.033   5.794
  131   1HB   GLU  19           HB2      GLU  19   8.358  -7.726   6.519
  132   2HB   GLU  19           HB1      GLU  19   7.947  -9.130   7.503
  133   1HG   GLU  19           HG2      GLU  19   9.657  -9.052   5.013
  134   2HG   GLU  19           HG1      GLU  19  10.129  -9.555   6.635
  135    H    TYR  20           HN       TYR  20   5.928  -8.578   7.972
  136    HA   TYR  20           HA       TYR  20   3.597  -7.121   7.043
  137   1HB   TYR  20           HB2      TYR  20   3.835  -8.588   9.177
  138   2HB   TYR  20           HB1      TYR  20   4.483  -7.119   9.909
  139    HD1  TYR  20           HD2      TYR  20   1.814  -7.532   7.309
  140    HD2  TYR  20           HD1      TYR  20   2.776  -6.295  11.312
  141    HE1  TYR  20           HE2      TYR  20  -0.474  -6.626   7.575
  142    HE2  TYR  20           HE1      TYR  20   0.481  -5.395  11.580
  143    HH   TYR  20           HH       TYR  20  -2.030  -6.194   9.775
  144    H    ARG  21           HN       ARG  21   3.868  -5.206   6.205
  145    HA   ARG  21           HA       ARG  21   5.066  -3.033   7.828
  146   1HB   ARG  21           HB2      ARG  21   5.662  -3.487   4.877
  147   2HB   ARG  21           HB1      ARG  21   6.214  -2.117   5.841
  148   1HG   ARG  21           HG2      ARG  21   6.850  -4.837   6.878
  149   2HG   ARG  21           HG1      ARG  21   7.740  -4.295   5.456
  150   1HD   ARG  21           HD2      ARG  21   8.958  -3.643   7.469
  151   2HD   ARG  21           HD1      ARG  21   8.335  -2.202   6.668
  152    HE   ARG  21           HE       ARG  21   6.657  -3.348   8.816
  153   1HH1  ARG  21          HH21      ARG  21   9.513  -1.606   8.629
  154   2HH1  ARG  21          HH22      ARG  21   8.940  -0.226   9.505
  155   1HH2  ARG  21          HH11      ARG  21   5.644  -1.302   9.564
  156   2HH2  ARG  21          HH12      ARG  21   6.751  -0.055  10.035
  157    HA   PRO  22           HA       PRO  22   0.777  -2.551   6.136
  158   1HB   PRO  22           HB2      PRO  22  -0.141  -1.322   8.448
  159   2HB   PRO  22           HB1      PRO  22  -0.174  -3.079   8.139
  160   1HG   PRO  22           HG2      PRO  22   1.721  -1.476   9.823
  161   2HG   PRO  22           HG1      PRO  22   1.140  -3.136  10.058
  162   1HD   PRO  22           HD2      PRO  22   3.646  -2.517   9.058
  163   2HD   PRO  22           HD1      PRO  22   2.796  -4.040   8.720
  164    H    LEU  23           HN       LEU  23   0.017  -0.828   5.027
  165    HA   LEU  23           HA       LEU  23   1.104   1.865   5.765
  166   1HB   LEU  23           HB2      LEU  23   0.093   1.098   3.029
  167   2HB   LEU  23           HB1      LEU  23   1.147   2.443   3.475
  168    HG   LEU  23           HG       LEU  23   1.867  -0.490   3.660
  169   1HD1  LEU  23          HD13      LEU  23   1.758   0.383   1.350
  170   2HD1  LEU  23          HD12      LEU  23   2.858   1.684   1.807
  171   3HD1  LEU  23          HD11      LEU  23   3.413   0.009   1.833
  172   1HD2  LEU  23          HD21      LEU  23   3.026   1.968   4.765
  173   2HD2  LEU  23          HD23      LEU  23   3.344   0.286   5.192
  174   3HD2  LEU  23          HD22      LEU  23   4.175   1.020   3.820
  175    H    CYS  24           HN       CYS  24  -0.536   2.954   6.790
  176    HA   CYS  24           HA       CYS  24  -3.321   2.199   6.326
  177   1HB   CYS  24           HB2      CYS  24  -1.898   4.139   8.116
  178   2HB   CYS  24           HB1      CYS  24  -3.619   4.340   7.851
  179    H    GLY  25           HN       GLY  25  -4.463   2.950   4.646
  180   1HA   GLY  25           HA2      GLY  25  -3.493   4.797   2.797
  181   2HA   GLY  25           HA1      GLY  25  -5.174   4.409   2.948
  182    H    SER  26           HN       SER  26  -5.554   6.679   2.407
  183    HA   SER  26           HA       SER  26  -4.906   8.633   4.544
  184   1HB   SER  26           HB2      SER  26  -6.302  10.136   2.920
  185   2HB   SER  26           HB1      SER  26  -4.695   9.624   2.420
  186    HG   SER  26           HG       SER  26  -7.204   8.888   1.492
  187    H    ASP  27           HN       ASP  27  -7.501   6.574   3.528
  188    HA   ASP  27           HA       ASP  27  -9.512   8.124   5.053
  189   1HB   ASP  27           HB2      ASP  27 -11.119   6.499   4.179
  190   2HB   ASP  27           HB1      ASP  27 -10.121   7.118   2.863
  191    H    ASN  28           HN       ASN  28  -7.136   6.044   5.872
  192    HA   ASN  28           HA       ASN  28  -6.778   5.075   8.006
  193   1HB   ASN  28           HB2      ASN  28  -8.910   6.429   8.686
  194   2HB   ASN  28           HB1      ASN  28  -9.744   4.893   8.459
  195   1HD2  ASN  28          HD22      ASN  28  -8.870   4.156  11.809
  196   2HD2  ASN  28          HD21      ASN  28 -10.129   4.434  10.705
  197    H    LYS  29           HN       LYS  29  -7.115   3.701   5.470
  198    HA   LYS  29           HA       LYS  29  -8.405   1.155   6.355
  199   1HB   LYS  29           HB2      LYS  29  -8.576   2.496   3.930
  200   2HB   LYS  29           HB1      LYS  29  -7.390   1.233   3.608
  201   1HG   LYS  29           HG2      LYS  29  -9.569   0.310   3.144
  202   2HG   LYS  29           HG1      LYS  29  -8.990  -0.422   4.639
  203   1HD   LYS  29           HD2      LYS  29 -11.276   0.221   5.019
  204   2HD   LYS  29           HD1      LYS  29 -10.267   1.373   5.892
  205   1HE   LYS  29           HE2      LYS  29 -11.096   3.083   4.692
  206   2HE   LYS  29           HE1      LYS  29 -10.659   2.284   3.182
  207   1HZ   LYS  29           HZ1      LYS  29 -12.737   0.855   3.705
  208   2HZ   LYS  29           HZ3      LYS  29 -13.181   2.165   4.685
  209   3HZ   LYS  29           HZ2      LYS  29 -12.929   2.398   3.021
  210    H    THR  30           HN       THR  30  -6.860   0.026   7.485
  211    HA   THR  30           HA       THR  30  -4.039   0.214   6.898
  212    HB   THR  30           HB       THR  30  -5.553  -1.862   8.502
  213    HG1  THR  30           HG1      THR  30  -5.198  -0.560  10.179
  214   1HG2  THR  30          HG22      THR  30  -3.146  -2.344   7.574
  215   2HG2  THR  30          HG21      THR  30  -2.637  -1.191   8.807
  216   3HG2  THR  30          HG23      THR  30  -3.493  -2.661   9.273
  217    H    TYR  31           HN       TYR  31  -3.069  -0.693   5.175
  218    HA   TYR  31           HA       TYR  31  -4.287  -3.144   3.989
  219   1HB   TYR  31           HB2      TYR  31  -2.450  -0.997   2.956
  220   2HB   TYR  31           HB1      TYR  31  -2.400  -2.598   2.216
  221    HD1  TYR  31           HD2      TYR  31  -4.427  -3.558   1.147
  222    HD2  TYR  31           HD1      TYR  31  -4.361   0.457   2.674
  223    HE1  TYR  31           HE2      TYR  31  -6.486  -3.036  -0.133
  224    HE2  TYR  31           HE1      TYR  31  -6.419   0.978   1.394
  225    HH   TYR  31           HH       TYR  31  -7.809   0.250  -0.223
  226    H    GLY  32           HN       GLY  32  -3.219  -5.084   4.224
  227   1HA   GLY  32           HA2      GLY  32  -1.589  -5.805   6.198
  228   2HA   GLY  32           HA1      GLY  32  -1.343  -6.542   4.627
  229    H    ASN  33           HN       ASN  33  -0.155  -4.663   3.119
  230    HA   ASN  33           HA       ASN  33   1.826  -3.196   4.623
  231   1HB   ASN  33           HB2      ASN  33   3.804  -4.384   3.881
  232   2HB   ASN  33           HB1      ASN  33   2.745  -5.502   4.723
  233   1HD2  ASN  33          HD22      ASN  33   3.753  -7.226   1.628
  234   2HD2  ASN  33          HD21      ASN  33   4.515  -6.677   3.039
  235    H    LYS  34           HN       LYS  34   3.673  -3.664   2.146
  236    HA   LYS  34           HA       LYS  34   2.704  -1.351   0.753
  237   1HB   LYS  34           HB2      LYS  34   4.814  -1.276  -0.067
  238   2HB   LYS  34           HB1      LYS  34   5.140  -2.457   1.180
  239   1HG   LYS  34           HG2      LYS  34   4.836  -4.282  -0.415
  240   2HG   LYS  34           HG1      LYS  34   4.407  -3.134  -1.685
  241   1HD   LYS  34           HD2      LYS  34   6.874  -2.271  -0.555
  242   2HD   LYS  34           HD1      LYS  34   7.021  -3.996  -0.885
  243   1HE   LYS  34           HE2      LYS  34   6.722  -3.728  -3.166
  244   2HE   LYS  34           HE1      LYS  34   5.766  -2.259  -2.973
  245   1HZ   LYS  34           HZ3      LYS  34   8.646  -2.380  -2.300
  246   2HZ   LYS  34           HZ2      LYS  34   8.093  -1.971  -3.853
  247   3HZ   LYS  34           HZ1      LYS  34   7.680  -1.004  -2.520
  248    H    CYS  35           HN       CYS  35   2.884  -4.832  -0.130
  249    HA   CYS  35           HA       CYS  35   1.921  -4.426  -2.806
  250   1HB   CYS  35           HB2      CYS  35   3.012  -6.549  -1.910
  251   2HB   CYS  35           HB1      CYS  35   1.459  -6.920  -1.157
  252    H    ASN  36           HN       ASN  36   0.273  -4.935   0.280
  253    HA   ASN  36           HA       ASN  36  -2.346  -5.178  -0.972
  254   1HB   ASN  36           HB2      ASN  36  -1.543  -4.679   1.906
  255   2HB   ASN  36           HB1      ASN  36  -3.198  -4.963   1.370
  256   1HD2  ASN  36          HD22      ASN  36  -0.513  -8.076   1.265
  257   2HD2  ASN  36          HD21      ASN  36   0.052  -6.483   1.307
  258    H    PHE  37           HN       PHE  37  -0.536  -2.555   0.626
  259    HA   PHE  37           HA       PHE  37  -2.630  -0.612   0.632
  260   1HB   PHE  37           HB2      PHE  37  -0.379  -0.286   1.708
  261   2HB   PHE  37           HB1      PHE  37   0.295  -0.043   0.216
  262    HD1  PHE  37           HD1      PHE  37  -2.926   1.157   1.614
  263    HD2  PHE  37           HD2      PHE  37   0.821   2.075  -0.206
  264    HE1  PHE  37           HE1      PHE  37  -3.619   3.527   1.413
  265    HE2  PHE  37           HE2      PHE  37   0.146   4.447  -0.434
  266    HZ   PHE  37           HZ       PHE  37  -2.085   5.185   0.382
  267    H    CYS  38           HN       CYS  38  -0.146  -1.363  -1.707
  268    HA   CYS  38           HA       CYS  38  -0.989   0.680  -3.566
  269   1HB   CYS  38           HB2      CYS  38   1.272  -0.090  -3.791
  270   2HB   CYS  38           HB1      CYS  38   0.757  -1.771  -3.955
  271    H    ASN  39           HN       ASN  39  -1.552  -2.865  -3.411
  272    HA   ASN  39           HA       ASN  39  -2.959  -3.256  -5.769
  273   1HB   ASN  39           HB2      ASN  39  -3.559  -4.284  -2.976
  274   2HB   ASN  39           HB1      ASN  39  -4.484  -4.808  -4.383
  275   1HD2  ASN  39          HD22      ASN  39  -1.692  -7.232  -3.988
  276   2HD2  ASN  39          HD21      ASN  39  -3.057  -6.787  -3.083
  277    H    ALA  40           HN       ALA  40  -3.892  -1.422  -2.953
  278    HA   ALA  40           HA       ALA  40  -6.648  -0.982  -3.792
  279   1HB   ALA  40           HB1      ALA  40  -5.397  -0.675  -1.424
  280   2HB   ALA  40           HB3      ALA  40  -5.228   0.971  -2.030
  281   3HB   ALA  40           HB2      ALA  40  -6.831   0.262  -1.843
  282    H    VAL  41           HN       VAL  41  -3.626   0.891  -3.811
  283    HA   VAL  41           HA       VAL  41  -4.551   3.196  -5.184
  284    HB   VAL  41           HB       VAL  41  -1.827   1.865  -5.320
  285   1HG1  VAL  41          HG12      VAL  41  -2.317   3.610  -7.082
  286   2HG1  VAL  41          HG11      VAL  41  -2.555   4.771  -5.775
  287   3HG1  VAL  41          HG13      VAL  41  -0.979   4.015  -6.008
  288   1HG2  VAL  41          HG22      VAL  41  -2.652   2.398  -3.014
  289   2HG2  VAL  41          HG21      VAL  41  -1.228   3.331  -3.474
  290   3HG2  VAL  41          HG23      VAL  41  -2.823   4.083  -3.507
  291    H    VAL  42           HN       VAL  42  -2.615   0.572  -6.651
  292    HA   VAL  42           HA       VAL  42  -3.034   1.291  -9.310
  293    HB   VAL  42           HB       VAL  42  -1.295  -0.249  -8.586
  294   1HG1  VAL  42          HG11      VAL  42  -3.573  -1.680  -7.445
  295   2HG1  VAL  42          HG13      VAL  42  -2.473  -2.726  -8.343
  296   3HG1  VAL  42          HG12      VAL  42  -1.865  -1.746  -7.011
  297   1HG2  VAL  42          HG22      VAL  42  -2.934  -0.524 -10.832
  298   2HG2  VAL  42          HG21      VAL  42  -1.304  -1.168 -10.632
  299   3HG2  VAL  42          HG23      VAL  42  -2.700  -2.168 -10.235
  300    H    GLU  43           HN       GLU  43  -5.247  -0.510  -7.198
  301    HA   GLU  43           HA       GLU  43  -6.840  -1.296  -9.575
  302   1HB   GLU  43           HB2      GLU  43  -6.480  -2.574  -7.173
  303   2HB   GLU  43           HB1      GLU  43  -8.015  -1.781  -6.918
  304   1HG   GLU  43           HG2      GLU  43  -8.274  -2.764  -9.480
  305   2HG   GLU  43           HG1      GLU  43  -7.358  -4.032  -8.664
  306    H    SER  44           HN       SER  44  -6.565   1.270  -7.391
  307    HA   SER  44           HA       SER  44  -9.390   2.120  -7.854
  308   1HB   SER  44           HB2      SER  44  -8.959   3.751  -6.030
  309   2HB   SER  44           HB1      SER  44  -8.674   2.098  -5.503
  310    HG   SER  44           HG       SER  44  -7.005   3.678  -4.966
  311    H    ASN  45           HN       ASN  45  -7.546   2.294 -10.017
  312    HA   ASN  45           HA       ASN  45  -6.558   3.818 -11.501
  313   1HB   ASN  45           HB2      ASN  45  -7.929   6.029 -11.624
  314   2HB   ASN  45           HB1      ASN  45  -8.724   4.531 -12.069
  315   1HD2  ASN  45          HD22      ASN  45 -10.172   6.664  -8.982
  316   2HD2  ASN  45          HD21      ASN  45  -8.946   7.251 -10.000
  317    H    GLY  46           HN       GLY  46  -5.164   3.700  -9.170
  318   1HA   GLY  46           HA2      GLY  46  -3.833   4.904  -7.654
  319   2HA   GLY  46           HA1      GLY  46  -3.394   5.774  -9.115
  320    H    THR  47           HN       THR  47  -6.399   5.671  -7.245
  321    HA   THR  47           HA       THR  47  -6.296   8.652  -7.083
  322    HB   THR  47           HB       THR  47  -8.279   7.635  -8.233
  323    HG1  THR  47           HG1      THR  47  -9.820   8.713  -6.758
  324   1HG2  THR  47          HG22      THR  47  -8.137   5.734  -6.271
  325   2HG2  THR  47          HG21      THR  47  -9.447   6.748  -5.671
  326   3HG2  THR  47          HG23      THR  47  -9.560   6.018  -7.272
  327    H    LEU  48           HN       LEU  48  -5.848   5.858  -5.243
  328    HA   LEU  48           HA       LEU  48  -6.876   6.958  -2.736
  329   1HB   LEU  48           HB2      LEU  48  -7.115   4.634  -2.817
  330   2HB   LEU  48           HB1      LEU  48  -5.568   4.401  -3.624
  331    HG   LEU  48           HG       LEU  48  -4.528   5.286  -1.397
  332   1HD1  LEU  48          HD11      LEU  48  -7.365   4.661  -0.620
  333   2HD1  LEU  48          HD13      LEU  48  -6.039   4.604   0.542
  334   3HD1  LEU  48          HD12      LEU  48  -6.432   6.117  -0.276
  335   1HD2  LEU  48          HD23      LEU  48  -4.914   2.814  -2.411
  336   2HD2  LEU  48          HD22      LEU  48  -4.133   3.099  -0.857
  337   3HD2  LEU  48          HD21      LEU  48  -5.842   2.668  -0.918
  338    H    THR  49           HN       THR  49  -5.678   8.065  -1.300
  339    HA   THR  49           HA       THR  49  -2.710   8.142  -1.682
  340    HB   THR  49           HB       THR  49  -2.693  10.414  -1.310
  341    HG1  THR  49           HG1      THR  49  -4.823   9.852   0.452
  342   1HG2  THR  49          HG22      THR  49  -4.372  10.052  -3.133
  343   2HG2  THR  49          HG21      THR  49  -5.649  10.146  -1.919
  344   3HG2  THR  49          HG23      THR  49  -4.628  11.549  -2.237
  345    H    LEU  50           HN       LEU  50  -1.569   8.377   0.536
  346    HA   LEU  50           HA       LEU  50  -3.269   6.953   2.492
  347   1HB   LEU  50           HB2      LEU  50  -1.579   5.490   2.759
  348   2HB   LEU  50           HB1      LEU  50  -0.864   6.218   1.335
  349    HG   LEU  50           HG       LEU  50  -0.186   7.762   3.706
  350   1HD1  LEU  50          HD11      LEU  50   0.241   4.786   3.680
  351   2HD1  LEU  50          HD13      LEU  50   1.321   5.870   4.556
  352   3HD1  LEU  50          HD12      LEU  50  -0.388   5.789   4.987
  353   1HD2  LEU  50          HD23      LEU  50   0.922   7.581   1.375
  354   2HD2  LEU  50          HD22      LEU  50   1.990   7.593   2.779
  355   3HD2  LEU  50          HD21      LEU  50   1.612   6.072   1.971
  356    H    SER  51           HN       SER  51  -2.152   7.298   4.859
  357    HA   SER  51           HA       SER  51  -1.815  10.243   5.154
  358   1HB   SER  51           HB2      SER  51  -3.877   8.519   6.266
  359   2HB   SER  51           HB1      SER  51  -2.903   9.210   7.518
  360    HG   SER  51           HG       SER  51  -3.205  11.248   6.227
  361    H    HIS  52           HN       HIS  52  -1.005   6.991   6.297
  362    HA   HIS  52           HA       HIS  52   1.559   7.968   7.271
  363   1HB   HIS  52           HB2      HIS  52   1.274   7.425   9.612
  364   2HB   HIS  52           HB1      HIS  52   0.013   8.567   9.148
  365    HD1  HIS  52           HD1      HIS  52   0.359   5.654  11.067
  366    HD2  HIS  52           HD2      HIS  52  -2.426   6.795   8.175
  367    HE1  HIS  52           HE1      HIS  52  -1.708   4.251  11.467
  368    H    PHE  53           HN       PHE  53   3.019   6.342   7.080
  369    HA   PHE  53           HA       PHE  53   2.157   3.742   6.139
  370   1HB   PHE  53           HB2      PHE  53   4.868   4.832   6.935
  371   2HB   PHE  53           HB1      PHE  53   4.616   3.210   6.291
  372    HD1  PHE  53           HD2      PHE  53   3.944   6.816   5.524
  373    HD2  PHE  53           HD1      PHE  53   4.550   2.858   3.973
  374    HE1  PHE  53           HE2      PHE  53   3.952   7.720   3.215
  375    HE2  PHE  53           HE1      PHE  53   4.557   3.761   1.665
  376    HZ   PHE  53           HZ       PHE  53   4.260   6.194   1.285
  377    H    GLY  54           HN       GLY  54   1.332   2.259   7.521
  378   1HA   GLY  54           HA2      GLY  54   2.478   0.783   9.426
  379   2HA   GLY  54           HA1      GLY  54   2.132   2.231  10.322
  380    H    LYS  55           HN       LYS  55   0.814   0.393  11.405
  381    HA   LYS  55           HA       LYS  55  -1.778  -0.099  10.138
  382   1HB   LYS  55           HB2      LYS  55  -1.772  -0.670  12.988
  383   2HB   LYS  55           HB1      LYS  55  -1.994  -1.768  11.639
  384   1HG   LYS  55           HG2      LYS  55  -0.101  -2.563  12.801
  385   2HG   LYS  55           HG1      LYS  55   0.549  -1.803  11.380
  386   1HD   LYS  55           HD2      LYS  55   1.833  -0.549  12.774
  387   2HD   LYS  55           HD1      LYS  55   0.358   0.218  13.361
  388   1HE   LYS  55           HE2      LYS  55   0.799  -2.447  14.504
  389   2HE   LYS  55           HE1      LYS  55   2.085  -1.305  14.896
  390   1HZ   LYS  55           HZ3      LYS  55  -0.820  -0.807  15.276
  391   2HZ   LYS  55           HZ2      LYS  55   0.269  -1.235  16.508
  392   3HZ   LYS  55           HZ1      LYS  55   0.439   0.249  15.698
  393    H    CYS  56           HN       CYS  56  -3.726   0.844  10.844
  394    HA   CYS  56           HA       CYS  56  -3.455   3.578  11.692
  395   1HB   CYS  56           HB2      CYS  56  -6.012   1.980  11.536
  396   2HB   CYS  56           HB1      CYS  56  -5.814   3.719  11.371
   
  No H/Q in entry =         396
  Start of MODEL          13
 Raw file had  401 H/Q atoms
  Start of MODEL   13
    1   1H    LEU   1           HT3      LEU   1   8.782  12.063   5.581
    2   2H    LEU   1           HT2      LEU   1   7.575  12.899   6.436
    3   3H    LEU   1           HT1      LEU   1   7.215  12.177   4.941
    4    HA   LEU   1           HA       LEU   1   7.428  14.427   4.433
    5   1HB   LEU   1           HB2      LEU   1   9.888  14.331   6.202
    6   2HB   LEU   1           HB1      LEU   1   9.418  15.726   5.232
    7    HG   LEU   1           HG       LEU   1   7.130  14.848   6.712
    8   1HD1  LEU   1          HD12      LEU   1   9.087  13.901   8.149
    9   2HD1  LEU   1          HD11      LEU   1   9.402  15.590   8.547
   10   3HD1  LEU   1          HD13      LEU   1   7.847  14.863   8.953
   11   1HD2  LEU   1          HD21      LEU   1   7.729  17.147   5.821
   12   2HD2  LEU   1          HD23      LEU   1   7.148  17.133   7.487
   13   3HD2  LEU   1          HD22      LEU   1   8.875  17.289   7.155
   14    H    ALA   2           HN       ALA   2   7.883  14.233   2.295
   15    HA   ALA   2           HA       ALA   2   9.210  14.057   0.354
   16   1HB   ALA   2           HB3      ALA   2  11.020  14.918   2.130
   17   2HB   ALA   2           HB2      ALA   2  11.640  13.282   1.908
   18   3HB   ALA   2           HB1      ALA   2  11.491  14.364   0.524
   19    H    ALA   3           HN       ALA   3   7.795  11.833   1.638
   20    HA   ALA   3           HA       ALA   3   8.861   9.675   0.053
   21   1HB   ALA   3           HB2      ALA   3  10.311   9.902   2.296
   22   2HB   ALA   3           HB1      ALA   3   8.969   8.964   2.951
   23   3HB   ALA   3           HB3      ALA   3   9.913   8.330   1.604
   24    H    VAL   4           HN       VAL   4   6.333  10.892   0.277
   25    HA   VAL   4           HA       VAL   4   4.685   8.967   1.828
   26    HB   VAL   4           HB       VAL   4   3.424  11.128   0.204
   27   1HG1  VAL   4          HG12      VAL   4   2.521   9.360   2.054
   28   2HG1  VAL   4          HG11      VAL   4   2.890  10.735   3.094
   29   3HG1  VAL   4          HG13      VAL   4   1.758  10.921   1.755
   30   1HG2  VAL   4          HG23      VAL   4   5.157  11.607   2.643
   31   2HG2  VAL   4          HG22      VAL   4   5.286  12.382   1.065
   32   3HG2  VAL   4          HG21      VAL   4   3.914  12.740   2.112
   33    H    SER   5           HN       SER   5   5.622   7.394   0.088
   34    HA   SER   5           HA       SER   5   3.471   6.897  -1.832
   35   1HB   SER   5           HB2      SER   5   5.560   6.666  -3.582
   36   2HB   SER   5           HB1      SER   5   4.489   8.060  -3.501
   37    HG   SER   5           HG       SER   5   6.080   9.191  -2.732
   38    H    VAL   6           HN       VAL   6   3.412   4.704  -2.400
   39    HA   VAL   6           HA       VAL   6   5.479   3.012  -1.081
   40    HB   VAL   6           HB       VAL   6   2.667   2.333  -1.942
   41   1HG1  VAL   6          HG13      VAL   6   4.902   0.762  -0.695
   42   2HG1  VAL   6          HG12      VAL   6   3.234   0.359  -0.291
   43   3HG1  VAL   6          HG11      VAL   6   3.780   0.280  -1.966
   44   1HG2  VAL   6          HG22      VAL   6   3.870   3.358   0.579
   45   2HG2  VAL   6          HG21      VAL   6   2.246   3.592  -0.065
   46   3HG2  VAL   6          HG23      VAL   6   2.663   2.083   0.746
   47    H    ASP   7           HN       ASP   7   5.221   4.261  -3.885
   48    HA   ASP   7           HA       ASP   7   5.816   3.666  -6.080
   49   1HB   ASP   7           HB2      ASP   7   7.843   2.869  -4.905
   50   2HB   ASP   7           HB1      ASP   7   7.063   1.311  -4.626
   51    H    CYS   8           HN       CYS   8   4.091   3.096  -7.315
   52    HA   CYS   8           HA       CYS   8   3.001   0.317  -7.000
   53   1HB   CYS   8           HB2      CYS   8   1.631   2.951  -7.491
   54   2HB   CYS   8           HB1      CYS   8   0.897   1.452  -8.056
   55    H    SER   9           HN       SER   9   5.197   0.984  -8.740
   56    HA   SER   9           HA       SER   9   4.032   1.301 -11.433
   57   1HB   SER   9           HB2      SER   9   6.355   2.200 -10.445
   58   2HB   SER   9           HB1      SER   9   6.917   0.647 -11.057
   59    HG   SER   9           HG       SER   9   5.759   1.289 -13.050
   60    H    GLU  10           HN       GLU  10   3.799  -1.220  -9.603
   61    HA   GLU  10           HA       GLU  10   4.251  -3.107 -11.838
   62   1HB   GLU  10           HB2      GLU  10   5.600  -4.626 -10.558
   63   2HB   GLU  10           HB1      GLU  10   6.326  -3.028 -10.436
   64   1HG   GLU  10           HG2      GLU  10   4.329  -3.709  -8.349
   65   2HG   GLU  10           HG1      GLU  10   5.867  -4.565  -8.273
   66    H    TYR  11           HN       TYR  11   2.121  -1.944  -9.847
   67    HA   TYR  11           HA       TYR  11   0.948  -4.524  -8.993
   68   1HB   TYR  11           HB2      TYR  11   0.554  -1.658  -8.128
   69   2HB   TYR  11           HB1      TYR  11  -0.589  -2.919  -7.667
   70    HD1  TYR  11           HD1      TYR  11   0.214  -4.916  -6.356
   71    HD2  TYR  11           HD2      TYR  11   2.728  -1.524  -7.148
   72    HE1  TYR  11           HE1      TYR  11   1.795  -5.671  -4.593
   73    HE2  TYR  11           HE2      TYR  11   4.301  -2.278  -5.384
   74    HH   TYR  11           HH       TYR  11   3.527  -4.556  -3.085
   75    HA   PRO  12           HA       PRO  12  -1.052  -4.639  -8.052
   76   1HB   PRO  12           HB2      PRO  12  -3.145  -6.371  -8.533
   77   2HB   PRO  12           HB1      PRO  12  -3.368  -4.691  -8.034
   78   1HG   PRO  12           HG2      PRO  12  -3.890  -5.920 -10.666
   79   2HG   PRO  12           HG1      PRO  12  -4.446  -4.360 -10.038
   80   1HD   PRO  12           HD2      PRO  12  -2.252  -4.872 -11.835
   81   2HD   PRO  12           HD1      PRO  12  -2.837  -3.308 -11.327
   82    H    LYS  13           HN       LYS  13  -0.603  -6.850  -7.298
   83    HA   LYS  13           HA       LYS  13   0.329  -8.688  -9.462
   84   1HB   LYS  13           HB2      LYS  13   1.823  -8.895  -6.945
   85   2HB   LYS  13           HB1      LYS  13   2.419  -8.809  -8.601
   86   1HG   LYS  13           HG2      LYS  13   1.822  -6.306  -8.509
   87   2HG   LYS  13           HG1      LYS  13   1.687  -6.526  -6.763
   88   1HD   LYS  13           HD2      LYS  13   4.139  -7.486  -8.221
   89   2HD   LYS  13           HD1      LYS  13   3.986  -5.789  -7.762
   90   1HE   LYS  13           HE2      LYS  13   3.625  -6.446  -5.416
   91   2HE   LYS  13           HE1      LYS  13   3.761  -8.146  -5.867
   92   1HZ   LYS  13           HZ3      LYS  13   6.009  -7.722  -6.641
   93   2HZ   LYS  13           HZ2      LYS  13   5.875  -6.087  -6.199
   94   3HZ   LYS  13           HZ1      LYS  13   5.848  -7.298  -5.007
   95    HA   PRO  14           HA       PRO  14  -2.138 -11.601  -7.262
   96   1HB   PRO  14           HB2      PRO  14  -1.147 -13.878  -8.432
   97   2HB   PRO  14           HB1      PRO  14  -2.264 -12.767  -9.241
   98   1HG   PRO  14           HG2      PRO  14   0.667 -13.123  -9.665
   99   2HG   PRO  14           HG1      PRO  14  -0.571 -12.565 -10.801
  100   1HD   PRO  14           HD2      PRO  14   1.263 -10.923  -9.449
  101   2HD   PRO  14           HD1      PRO  14  -0.193 -10.372 -10.258
  102    H    ALA  15           HN       ALA  15   0.836 -10.912  -6.380
  103    HA   ALA  15           HA       ALA  15   0.934 -13.070  -4.350
  104   1HB   ALA  15           HB1      ALA  15   3.037 -12.459  -6.390
  105   2HB   ALA  15           HB3      ALA  15   3.560 -12.900  -4.764
  106   3HB   ALA  15           HB2      ALA  15   2.563 -14.012  -5.704
  107    H    CYS  16           HN       CYS  16   1.610 -12.306  -2.355
  108    HA   CYS  16           HA       CYS  16   2.659  -9.508  -2.262
  109   1HB   CYS  16           HB2      CYS  16   0.621 -10.716  -0.362
  110   2HB   CYS  16           HB1      CYS  16   1.266  -9.079  -0.291
  111    H    THR  17           HN       THR  17   4.383  -9.231  -0.878
  112    HA   THR  17           HA       THR  17   5.843 -11.453   0.093
  113    HB   THR  17           HB       THR  17   7.184  -9.840   1.322
  114    HG1  THR  17           HG1      THR  17   5.998  -7.568   0.955
  115   1HG2  THR  17          HG21      THR  17   6.266  -9.354  -1.420
  116   2HG2  THR  17          HG23      THR  17   6.940  -7.917  -0.650
  117   3HG2  THR  17          HG22      THR  17   7.908  -9.387  -0.773
  118    H    LEU  18           HN       LEU  18   6.406 -11.023   2.793
  119    HA   LEU  18           HA       LEU  18   3.734 -11.442   4.061
  120   1HB   LEU  18           HB2      LEU  18   4.830 -13.119   5.552
  121   2HB   LEU  18           HB1      LEU  18   4.849 -13.598   3.854
  122    HG   LEU  18           HG       LEU  18   7.172 -11.985   4.695
  123   1HD1  LEU  18          HD11      LEU  18   6.522 -14.654   5.932
  124   2HD1  LEU  18          HD13      LEU  18   8.198 -14.174   5.662
  125   3HD1  LEU  18          HD12      LEU  18   7.160 -13.205   6.708
  126   1HD2  LEU  18          HD22      LEU  18   6.886 -13.096   2.472
  127   2HD2  LEU  18          HD21      LEU  18   8.340 -13.629   3.316
  128   3HD2  LEU  18          HD23      LEU  18   6.910 -14.660   3.286
  129    H    GLU  19           HN       GLU  19   6.899  -9.975   4.286
  130    HA   GLU  19           HA       GLU  19   7.143  -9.387   6.992
  131   1HB   GLU  19           HB2      GLU  19   8.191  -7.243   6.326
  132   2HB   GLU  19           HB1      GLU  19   8.759  -8.580   5.330
  133   1HG   GLU  19           HG2      GLU  19   6.358  -7.284   4.241
  134   2HG   GLU  19           HG1      GLU  19   7.737  -6.202   4.377
  135    H    TYR  20           HN       TYR  20   6.094  -7.982   8.442
  136    HA   TYR  20           HA       TYR  20   3.439  -7.100   7.522
  137   1HB   TYR  20           HB2      TYR  20   3.856  -8.341   9.719
  138   2HB   TYR  20           HB1      TYR  20   4.527  -6.825  10.323
  139    HD1  TYR  20           HD2      TYR  20   1.657  -7.390   7.982
  140    HD2  TYR  20           HD1      TYR  20   2.925  -6.003  11.847
  141    HE1  TYR  20           HE2      TYR  20  -0.628  -6.532   8.418
  142    HE2  TYR  20           HE1      TYR  20   0.639  -5.150  12.286
  143    HH   TYR  20           HH       TYR  20  -2.041  -5.942  10.269
  144    H    ARG  21           HN       ARG  21   4.221  -5.346   6.184
  145    HA   ARG  21           HA       ARG  21   5.032  -2.937   7.766
  146   1HB   ARG  21           HB2      ARG  21   5.295  -3.210   4.765
  147   2HB   ARG  21           HB1      ARG  21   6.138  -2.094   5.841
  148   1HG   ARG  21           HG2      ARG  21   6.576  -4.934   6.492
  149   2HG   ARG  21           HG1      ARG  21   7.188  -4.458   4.908
  150   1HD   ARG  21           HD2      ARG  21   7.882  -2.364   6.672
  151   2HD   ARG  21           HD1      ARG  21   8.269  -3.863   7.517
  152    HE   ARG  21           HE       ARG  21  10.132  -3.928   6.086
  153   1HH1  ARG  21          HH11      ARG  21   8.037  -1.715   4.697
  154   2HH1  ARG  21          HH12      ARG  21   8.504  -2.030   3.059
  155   1HH2  ARG  21          HH21      ARG  21  10.454  -4.781   3.867
  156   2HH2  ARG  21          HH22      ARG  21   9.871  -3.766   2.589
  157    HA   PRO  22           HA       PRO  22   0.616  -2.647   6.468
  158   1HB   PRO  22           HB2      PRO  22  -0.102  -1.272   8.766
  159   2HB   PRO  22           HB1      PRO  22  -0.137  -3.045   8.592
  160   1HG   PRO  22           HG2      PRO  22   1.876  -1.307   9.977
  161   2HG   PRO  22           HG1      PRO  22   1.356  -2.956  10.374
  162   1HD   PRO  22           HD2      PRO  22   3.744  -2.357   9.096
  163   2HD   PRO  22           HD1      PRO  22   2.910  -3.920   8.957
  164    H    LEU  23           HN       LEU  23  -0.141  -0.981   5.247
  165    HA   LEU  23           HA       LEU  23   1.000   1.724   5.796
  166   1HB   LEU  23           HB2      LEU  23  -0.024   0.704   3.143
  167   2HB   LEU  23           HB1      LEU  23   0.936   2.157   3.448
  168    HG   LEU  23           HG       LEU  23   2.226  -0.209   4.530
  169   1HD1  LEU  23          HD12      LEU  23   0.939  -1.188   2.584
  170   2HD1  LEU  23          HD11      LEU  23   1.887  -0.136   1.533
  171   3HD1  LEU  23          HD13      LEU  23   2.690  -1.374   2.500
  172   1HD2  LEU  23          HD21      LEU  23   2.888   2.284   3.519
  173   2HD2  LEU  23          HD23      LEU  23   4.026   1.014   3.968
  174   3HD2  LEU  23          HD22      LEU  23   3.491   1.167   2.293
  175    H    CYS  24           HN       CYS  24  -0.547   3.045   6.602
  176    HA   CYS  24           HA       CYS  24  -3.356   2.232   6.413
  177   1HB   CYS  24           HB2      CYS  24  -2.617   3.366   8.459
  178   2HB   CYS  24           HB1      CYS  24  -2.105   4.744   7.517
  179    H    GLY  25           HN       GLY  25  -4.867   3.049   4.929
  180   1HA   GLY  25           HA2      GLY  25  -3.875   4.341   2.628
  181   2HA   GLY  25           HA1      GLY  25  -5.538   4.306   3.032
  182    H    SER  26           HN       SER  26  -5.517   6.637   2.226
  183    HA   SER  26           HA       SER  26  -4.251   8.477   4.187
  184   1HB   SER  26           HB2      SER  26  -4.059   8.945   1.724
  185   2HB   SER  26           HB1      SER  26  -5.804   9.166   1.672
  186    HG   SER  26           HG       SER  26  -5.617  10.934   2.956
  187    H    ASP  27           HN       ASP  27  -7.249   6.971   3.624
  188    HA   ASP  27           HA       ASP  27  -8.801   9.141   4.896
  189   1HB   ASP  27           HB2      ASP  27 -10.697   7.471   4.665
  190   2HB   ASP  27           HB1      ASP  27  -9.954   7.957   3.142
  191    H    ASN  28           HN       ASN  28  -7.605   5.906   5.572
  192    HA   ASN  28           HA       ASN  28  -6.847   5.863   8.097
  193   1HB   ASN  28           HB2      ASN  28  -8.866   5.503   9.577
  194   2HB   ASN  28           HB1      ASN  28  -8.693   7.153   8.986
  195   1HD2  ASN  28          HD22      ASN  28 -12.227   6.282   8.358
  196   2HD2  ASN  28          HD21      ASN  28 -11.239   6.618   9.695
  197    H    LYS  29           HN       LYS  29  -7.116   4.135   5.754
  198    HA   LYS  29           HA       LYS  29  -8.409   1.722   6.935
  199   1HB   LYS  29           HB2      LYS  29  -8.712   2.519   4.452
  200   2HB   LYS  29           HB1      LYS  29  -7.114   1.810   4.216
  201   1HG   LYS  29           HG2      LYS  29  -8.022  -0.241   4.122
  202   2HG   LYS  29           HG1      LYS  29  -8.689  -0.027   5.741
  203   1HD   LYS  29           HD2      LYS  29 -10.016   1.113   3.275
  204   2HD   LYS  29           HD1      LYS  29 -10.392  -0.494   3.898
  205   1HE   LYS  29           HE2      LYS  29 -11.730   0.383   5.479
  206   2HE   LYS  29           HE1      LYS  29 -10.421   1.413   6.062
  207   1HZ   LYS  29           HZ3      LYS  29 -10.997   2.793   3.965
  208   2HZ   LYS  29           HZ2      LYS  29 -12.493   1.993   4.059
  209   3HZ   LYS  29           HZ1      LYS  29 -11.954   2.947   5.357
  210    H    THR  30           HN       THR  30  -7.002  -0.365   6.532
  211    HA   THR  30           HA       THR  30  -4.112   0.294   6.843
  212    HB   THR  30           HB       THR  30  -5.754  -1.440   8.709
  213    HG1  THR  30           HG1      THR  30  -5.182   0.043  10.174
  214   1HG2  THR  30          HG21      THR  30  -2.849  -1.451   8.025
  215   2HG2  THR  30          HG23      THR  30  -3.272  -1.588   9.732
  216   3HG2  THR  30          HG22      THR  30  -3.879  -2.774   8.575
  217    H    TYR  31           HN       TYR  31  -3.105  -0.808   5.271
  218    HA   TYR  31           HA       TYR  31  -4.263  -3.388   4.345
  219   1HB   TYR  31           HB2      TYR  31  -2.275  -1.443   3.148
  220   2HB   TYR  31           HB1      TYR  31  -2.560  -3.040   2.460
  221    HD1  TYR  31           HD1      TYR  31  -4.358   0.044   3.569
  222    HD2  TYR  31           HD2      TYR  31  -4.365  -3.386   0.985
  223    HE1  TYR  31           HE1      TYR  31  -6.391   0.901   2.438
  224    HE2  TYR  31           HE2      TYR  31  -6.397  -2.527  -0.150
  225    HH   TYR  31           HH       TYR  31  -7.734  -0.726  -0.405
  226    H    GLY  32           HN       GLY  32  -3.186  -5.292   4.789
  227   1HA   GLY  32           HA2      GLY  32  -1.420  -5.645   6.828
  228   2HA   GLY  32           HA1      GLY  32  -1.392  -6.713   5.433
  229    H    ASN  33           HN       ASN  33  -0.308  -5.285   3.431
  230    HA   ASN  33           HA       ASN  33   2.026  -3.834   4.480
  231   1HB   ASN  33           HB2      ASN  33   3.647  -5.234   3.262
  232   2HB   ASN  33           HB1      ASN  33   2.778  -6.163   4.455
  233   1HD2  ASN  33          HD22      ASN  33   2.564  -8.357   1.586
  234   2HD2  ASN  33          HD21      ASN  33   3.626  -7.936   2.839
  235    H    LYS  34           HN       LYS  34   3.451  -3.970   1.994
  236    HA   LYS  34           HA       LYS  34   2.120  -1.837   0.619
  237   1HB   LYS  34           HB2      LYS  34   4.046  -2.421  -1.077
  238   2HB   LYS  34           HB1      LYS  34   4.424  -1.656   0.454
  239   1HG   LYS  34           HG2      LYS  34   5.269  -3.632   1.369
  240   2HG   LYS  34           HG1      LYS  34   4.353  -4.656   0.261
  241   1HD   LYS  34           HD2      LYS  34   6.485  -2.800  -0.782
  242   2HD   LYS  34           HD1      LYS  34   6.914  -4.384  -0.134
  243   1HE   LYS  34           HE2      LYS  34   4.855  -5.089  -1.742
  244   2HE   LYS  34           HE1      LYS  34   5.461  -3.689  -2.626
  245   1HZ   LYS  34           HZ3      LYS  34   7.342  -5.725  -1.643
  246   2HZ   LYS  34           HZ2      LYS  34   6.470  -6.006  -3.073
  247   3HZ   LYS  34           HZ1      LYS  34   7.503  -4.661  -2.953
  248    H    CYS  35           HN       CYS  35   2.683  -5.265  -0.297
  249    HA   CYS  35           HA       CYS  35   1.575  -5.075  -2.868
  250   1HB   CYS  35           HB2      CYS  35   2.645  -7.126  -2.070
  251   2HB   CYS  35           HB1      CYS  35   1.352  -7.358  -0.894
  252    H    ASN  36           HN       ASN  36  -0.014  -5.132   0.261
  253    HA   ASN  36           HA       ASN  36  -2.675  -5.491  -0.922
  254   1HB   ASN  36           HB2      ASN  36  -1.602  -5.097   1.856
  255   2HB   ASN  36           HB1      ASN  36  -3.322  -4.866   1.542
  256   1HD2  ASN  36          HD22      ASN  36  -1.734  -8.637   1.384
  257   2HD2  ASN  36          HD21      ASN  36  -0.708  -7.290   1.470
  258    H    PHE  37           HN       PHE  37  -0.937  -2.798   0.697
  259    HA   PHE  37           HA       PHE  37  -3.054  -0.909   0.482
  260   1HB   PHE  37           HB2      PHE  37  -0.989  -0.546   1.792
  261   2HB   PHE  37           HB1      PHE  37  -0.090  -0.272   0.434
  262    HD1  PHE  37           HD1      PHE  37  -3.490   0.852   1.433
  263    HD2  PHE  37           HD2      PHE  37   0.403   1.839   0.004
  264    HE1  PHE  37           HE1      PHE  37  -4.221   3.216   1.147
  265    HE2  PHE  37           HE2      PHE  37  -0.282   4.198  -0.298
  266    HZ   PHE  37           HZ       PHE  37  -2.592   4.915   0.287
  267    H    CYS  38           HN       CYS  38  -0.352  -1.546  -1.606
  268    HA   CYS  38           HA       CYS  38  -1.118   0.443  -3.548
  269   1HB   CYS  38           HB2      CYS  38   1.211  -0.336  -3.462
  270   2HB   CYS  38           HB1      CYS  38   0.707  -1.959  -3.935
  271    H    ASN  39           HN       ASN  39  -1.715  -3.068  -3.234
  272    HA   ASN  39           HA       ASN  39  -2.895  -3.513  -5.765
  273   1HB   ASN  39           HB2      ASN  39  -3.283  -4.679  -3.030
  274   2HB   ASN  39           HB1      ASN  39  -4.488  -5.054  -4.263
  275   1HD2  ASN  39          HD22      ASN  39  -1.570  -7.490  -4.406
  276   2HD2  ASN  39          HD21      ASN  39  -2.534  -6.958  -3.116
  277    H    ALA  40           HN       ALA  40  -3.958  -1.611  -3.077
  278    HA   ALA  40           HA       ALA  40  -6.739  -1.417  -4.020
  279   1HB   ALA  40           HB1      ALA  40  -5.933  -1.221  -1.566
  280   2HB   ALA  40           HB3      ALA  40  -5.396   0.400  -2.006
  281   3HB   ALA  40           HB2      ALA  40  -7.103  -0.026  -2.124
  282    H    VAL  41           HN       VAL  41  -3.746   0.458  -4.058
  283    HA   VAL  41           HA       VAL  41  -4.837   2.843  -5.260
  284    HB   VAL  41           HB       VAL  41  -2.031   1.697  -5.392
  285   1HG1  VAL  41          HG11      VAL  41  -3.115   4.479  -5.904
  286   2HG1  VAL  41          HG13      VAL  41  -1.400   4.083  -5.786
  287   3HG1  VAL  41          HG12      VAL  41  -2.376   3.402  -7.089
  288   1HG2  VAL  41          HG23      VAL  41  -3.372   2.389  -3.130
  289   2HG2  VAL  41          HG22      VAL  41  -1.629   2.580  -3.321
  290   3HG2  VAL  41          HG21      VAL  41  -2.702   3.955  -3.588
  291    H    VAL  42           HN       VAL  42  -3.868  -0.245  -6.479
  292    HA   VAL  42           HA       VAL  42  -3.793   0.663  -9.277
  293    HB   VAL  42           HB       VAL  42  -3.173  -1.687  -9.755
  294   1HG1  VAL  42          HG13      VAL  42  -1.681   0.217  -8.433
  295   2HG1  VAL  42          HG12      VAL  42  -1.473  -1.208  -7.414
  296   3HG1  VAL  42          HG11      VAL  42  -1.038  -1.274  -9.123
  297   1HG2  VAL  42          HG21      VAL  42  -3.915  -1.989  -6.869
  298   2HG2  VAL  42          HG23      VAL  42  -4.318  -3.033  -8.226
  299   3HG2  VAL  42          HG22      VAL  42  -2.685  -3.036  -7.559
  300    H    GLU  43           HN       GLU  43  -5.934  -0.937  -7.046
  301    HA   GLU  43           HA       GLU  43  -7.755  -1.797  -9.179
  302   1HB   GLU  43           HB2      GLU  43  -9.113  -2.522  -7.201
  303   2HB   GLU  43           HB1      GLU  43  -7.590  -3.330  -7.302
  304   1HG   GLU  43           HG2      GLU  43  -7.395  -2.699  -5.154
  305   2HG   GLU  43           HG1      GLU  43  -7.061  -1.094  -5.796
  306    H    SER  44           HN       SER  44  -7.165   0.977  -7.292
  307    HA   SER  44           HA       SER  44  -9.989   1.900  -7.652
  308   1HB   SER  44           HB2      SER  44  -9.471   3.569  -5.901
  309   2HB   SER  44           HB1      SER  44  -9.205   1.926  -5.323
  310    HG   SER  44           HG       SER  44  -7.085   3.273  -6.552
  311    H    ASN  45           HN       ASN  45  -7.826   1.932  -9.721
  312    HA   ASN  45           HA       ASN  45  -7.117   3.412 -11.394
  313   1HB   ASN  45           HB2      ASN  45  -9.327   4.932 -10.053
  314   2HB   ASN  45           HB1      ASN  45  -8.274   5.791 -11.174
  315   1HD2  ASN  45          HD22      ASN  45 -11.206   3.692 -12.754
  316   2HD2  ASN  45          HD21      ASN  45 -11.187   4.362 -11.194
  317    H    GLY  46           HN       GLY  46  -6.179   3.493  -8.362
  318   1HA   GLY  46           HA2      GLY  46  -4.278   4.463  -7.367
  319   2HA   GLY  46           HA1      GLY  46  -4.012   5.371  -8.853
  320    H    THR  47           HN       THR  47  -7.118   5.530  -7.315
  321    HA   THR  47           HA       THR  47  -6.688   8.406  -6.803
  322    HB   THR  47           HB       THR  47  -9.084   8.515  -6.482
  323    HG1  THR  47           HG1      THR  47 -10.297   6.709  -6.215
  324   1HG2  THR  47          HG21      THR  47  -7.902   7.783  -8.825
  325   2HG2  THR  47          HG23      THR  47  -9.082   6.488  -8.633
  326   3HG2  THR  47          HG22      THR  47  -9.615   8.169  -8.668
  327    H    LEU  48           HN       LEU  48  -6.487   5.471  -5.094
  328    HA   LEU  48           HA       LEU  48  -7.263   6.540  -2.493
  329   1HB   LEU  48           HB2      LEU  48  -7.624   4.216  -2.710
  330   2HB   LEU  48           HB1      LEU  48  -6.066   3.957  -3.493
  331    HG   LEU  48           HG       LEU  48  -4.955   4.620  -1.337
  332   1HD1  LEU  48          HD12      LEU  48  -7.369   5.656  -0.681
  333   2HD1  LEU  48          HD11      LEU  48  -7.460   4.100   0.145
  334   3HD1  LEU  48          HD13      LEU  48  -6.143   5.215   0.509
  335   1HD2  LEU  48          HD22      LEU  48  -6.837   2.256  -1.444
  336   2HD2  LEU  48          HD21      LEU  48  -5.105   2.279  -1.770
  337   3HD2  LEU  48          HD23      LEU  48  -5.694   2.482  -0.121
  338    H    THR  49           HN       THR  49  -5.909   7.629  -1.152
  339    HA   THR  49           HA       THR  49  -3.007   7.666  -1.855
  340    HB   THR  49           HB       THR  49  -2.999   9.806  -0.495
  341    HG1  THR  49           HG1      THR  49  -5.794   9.718  -0.816
  342   1HG2  THR  49          HG21      THR  49  -3.843   9.314  -3.136
  343   2HG2  THR  49          HG23      THR  49  -4.956  10.524  -2.497
  344   3HG2  THR  49          HG22      THR  49  -3.219  10.829  -2.485
  345    H    LEU  50           HN       LEU  50  -1.698   8.202   0.310
  346    HA   LEU  50           HA       LEU  50  -2.634   6.291   2.365
  347   1HB   LEU  50           HB2      LEU  50  -0.731   5.330   1.437
  348   2HB   LEU  50           HB1      LEU  50  -0.016   6.880   1.030
  349    HG   LEU  50           HG       LEU  50   0.134   7.070   3.704
  350   1HD1  LEU  50          HD12      LEU  50  -0.769   4.429   3.212
  351   2HD1  LEU  50          HD11      LEU  50   0.912   4.318   3.732
  352   3HD1  LEU  50          HD13      LEU  50  -0.273   5.127   4.753
  353   1HD2  LEU  50          HD23      LEU  50   1.886   5.867   1.614
  354   2HD2  LEU  50          HD22      LEU  50   2.165   7.279   2.631
  355   3HD2  LEU  50          HD21      LEU  50   2.377   5.660   3.295
  356    H    SER  51           HN       SER  51  -1.753   6.822   4.609
  357    HA   SER  51           HA       SER  51  -1.707   9.785   4.978
  358   1HB   SER  51           HB2      SER  51  -3.436   7.795   6.153
  359   2HB   SER  51           HB1      SER  51  -2.451   8.481   7.383
  360    HG   SER  51           HG       SER  51  -3.132  10.523   6.002
  361    H    HIS  52           HN       HIS  52  -0.218   6.727   5.656
  362    HA   HIS  52           HA       HIS  52   2.276   7.831   6.391
  363   1HB   HIS  52           HB2      HIS  52   2.315   7.452   8.825
  364   2HB   HIS  52           HB1      HIS  52   1.086   8.647   8.407
  365    HD1  HIS  52           HD1      HIS  52   1.249   6.298  10.811
  366    HD2  HIS  52           HD2      HIS  52  -1.336   6.565   7.548
  367    HE1  HIS  52           HE1      HIS  52  -0.778   4.885  11.380
  368    H    PHE  53           HN       PHE  53   3.826   6.185   6.809
  369    HA   PHE  53           HA       PHE  53   3.031   3.545   5.890
  370   1HB   PHE  53           HB2      PHE  53   5.661   4.632   6.922
  371   2HB   PHE  53           HB1      PHE  53   5.435   2.983   6.338
  372    HD1  PHE  53           HD2      PHE  53   4.964   6.554   5.329
  373    HD2  PHE  53           HD1      PHE  53   5.581   2.504   4.041
  374    HE1  PHE  53           HE2      PHE  53   5.232   7.339   2.992
  375    HE2  PHE  53           HE1      PHE  53   5.849   3.288   1.704
  376    HZ   PHE  53           HZ       PHE  53   5.676   5.704   1.180
  377    H    GLY  54           HN       GLY  54   1.956   2.274   7.251
  378   1HA   GLY  54           HA2      GLY  54   2.725   0.768   9.271
  379   2HA   GLY  54           HA1      GLY  54   2.507   2.274  10.133
  380    H    LYS  55           HN       LYS  55   0.827   0.589  11.095
  381    HA   LYS  55           HA       LYS  55  -1.641   0.400   9.625
  382   1HB   LYS  55           HB2      LYS  55  -1.122  -1.431  11.077
  383   2HB   LYS  55           HB1      LYS  55  -0.643  -0.338  12.367
  384   1HG   LYS  55           HG2      LYS  55  -2.681  -0.042  13.093
  385   2HG   LYS  55           HG1      LYS  55  -3.320   0.156  11.471
  386   1HD   LYS  55           HD2      LYS  55  -4.367  -1.842  11.993
  387   2HD   LYS  55           HD1      LYS  55  -2.838  -2.487  11.393
  388   1HE   LYS  55           HE2      LYS  55  -2.945  -1.714  14.269
  389   2HE   LYS  55           HE1      LYS  55  -3.823  -3.168  13.795
  390   1HZ   LYS  55           HZ1      LYS  55  -1.566  -3.591  12.513
  391   2HZ   LYS  55           HZ3      LYS  55  -0.955  -2.634  13.773
  392   3HZ   LYS  55           HZ2      LYS  55  -1.791  -4.071  14.128
  393    H    CYS  56           HN       CYS  56  -3.520   1.629  10.239
  394    HA   CYS  56           HA       CYS  56  -2.949   4.294  11.231
  395   1HB   CYS  56           HB2      CYS  56  -5.126   2.959   9.870
  396   2HB   CYS  56           HB1      CYS  56  -5.738   3.919  11.217
   
  No H/Q in entry =         396
  Start of MODEL          14
 Raw file had  401 H/Q atoms
  Start of MODEL   14
    1   1H    LEU   1           HT2      LEU   1   7.145  13.175  -2.120
    2   2H    LEU   1           HT1      LEU   1   8.011  12.409  -3.366
    3   3H    LEU   1           HT3      LEU   1   8.839  13.306  -2.189
    4    HA   LEU   1           HA       LEU   1   8.687  15.119  -3.423
    5   1HB   LEU   1           HB2      LEU   1   7.671  13.007  -5.155
    6   2HB   LEU   1           HB1      LEU   1   6.952  14.569  -5.547
    7    HG   LEU   1           HG       LEU   1   9.218  15.572  -5.645
    8   1HD1  LEU   1          HD13      LEU   1   9.948  13.303  -4.207
    9   2HD1  LEU   1          HD12      LEU   1  10.630  13.019  -5.808
   10   3HD1  LEU   1          HD11      LEU   1  11.057  14.478  -4.914
   11   1HD2  LEU   1          HD23      LEU   1   8.050  13.707  -7.463
   12   2HD2  LEU   1          HD22      LEU   1   9.123  15.056  -7.835
   13   3HD2  LEU   1          HD21      LEU   1   9.795  13.462  -7.495
   14    H    ALA   2           HN       ALA   2   7.232  15.652  -1.409
   15    HA   ALA   2           HA       ALA   2   5.374  16.848  -0.614
   16   1HB   ALA   2           HB3      ALA   2   5.731  17.597  -3.375
   17   2HB   ALA   2           HB2      ALA   2   4.009  17.542  -2.999
   18   3HB   ALA   2           HB1      ALA   2   5.088  18.563  -2.046
   19    H    ALA   3           HN       ALA   3   5.095  14.040  -0.823
   20    HA   ALA   3           HA       ALA   3   2.282  13.722  -0.598
   21   1HB   ALA   3           HB2      ALA   3   2.619  14.088  -3.156
   22   2HB   ALA   3           HB1      ALA   3   3.266  12.448  -3.147
   23   3HB   ALA   3           HB3      ALA   3   1.606  12.744  -2.630
   24    H    VAL   4           HN       VAL   4   2.113  11.993   0.729
   25    HA   VAL   4           HA       VAL   4   4.340  10.053   0.855
   26    HB   VAL   4           HB       VAL   4   1.880   9.843   2.556
   27   1HG1  VAL   4          HG12      VAL   4   4.078   8.386   2.548
   28   2HG1  VAL   4          HG11      VAL   4   4.736   9.736   3.471
   29   3HG1  VAL   4          HG13      VAL   4   3.337   8.850   4.079
   30   1HG2  VAL   4          HG21      VAL   4   3.742  12.152   2.425
   31   2HG2  VAL   4          HG23      VAL   4   2.088  12.075   3.031
   32   3HG2  VAL   4          HG22      VAL   4   3.424  11.518   4.040
   33    H    SER   5           HN       SER   5   4.206   8.376  -0.579
   34    HA   SER   5           HA       SER   5   1.693   6.827  -0.676
   35   1HB   SER   5           HB2      SER   5   2.005   8.722  -2.590
   36   2HB   SER   5           HB1      SER   5   2.857   7.381  -3.348
   37    HG   SER   5           HG       SER   5   0.690   7.235  -3.871
   38    H    VAL   6           HN       VAL   6   2.203   4.973  -2.502
   39    HA   VAL   6           HA       VAL   6   4.972   3.987  -1.946
   40    HB   VAL   6           HB       VAL   6   2.364   2.453  -1.858
   41   1HG1  VAL   6          HG12      VAL   6   5.233   1.490  -1.842
   42   2HG1  VAL   6          HG11      VAL   6   3.880   0.502  -1.290
   43   3HG1  VAL   6          HG13      VAL   6   3.956   1.035  -2.970
   44   1HG2  VAL   6          HG23      VAL   6   3.374   3.864   0.136
   45   2HG2  VAL   6          HG22      VAL   6   2.726   2.251   0.434
   46   3HG2  VAL   6          HG21      VAL   6   4.468   2.488   0.280
   47    H    ASP   7           HN       ASP   7   5.587   2.207  -3.555
   48    HA   ASP   7           HA       ASP   7   5.156   3.171  -6.245
   49   1HB   ASP   7           HB2      ASP   7   7.167   1.814  -5.169
   50   2HB   ASP   7           HB1      ASP   7   6.230   0.423  -5.721
   51    H    CYS   8           HN       CYS   8   4.123   1.993  -7.998
   52    HA   CYS   8           HA       CYS   8   2.439  -0.323  -7.366
   53   1HB   CYS   8           HB2      CYS   8   1.307   2.437  -7.724
   54   2HB   CYS   8           HB1      CYS   8   0.385   1.030  -8.235
   55    H    SER   9           HN       SER   9   4.555   0.331  -9.319
   56    HA   SER   9           HA       SER   9   3.103   0.603 -11.876
   57   1HB   SER   9           HB2      SER   9   5.459   1.592 -11.241
   58   2HB   SER   9           HB1      SER   9   6.035  -0.011 -11.685
   59    HG   SER   9           HG       SER   9   5.182   2.030 -13.254
   60    H    GLU  10           HN       GLU  10   3.045  -1.865  -9.986
   61    HA   GLU  10           HA       GLU  10   3.419  -3.818 -12.200
   62   1HB   GLU  10           HB2      GLU  10   4.485  -5.403 -10.542
   63   2HB   GLU  10           HB1      GLU  10   5.468  -4.012 -10.990
   64   1HG   GLU  10           HG2      GLU  10   3.665  -3.816  -8.603
   65   2HG   GLU  10           HG1      GLU  10   5.213  -4.650  -8.454
   66    H    TYR  11           HN       TYR  11   1.591  -2.798  -9.460
   67    HA   TYR  11           HA       TYR  11   0.331  -5.332  -8.982
   68   1HB   TYR  11           HB2      TYR  11  -0.335  -2.521  -8.093
   69   2HB   TYR  11           HB1      TYR  11  -1.158  -3.969  -7.507
   70    HD1  TYR  11           HD2      TYR  11   2.070  -2.154  -7.596
   71    HD2  TYR  11           HD1      TYR  11  -0.058  -5.536  -6.020
   72    HE1  TYR  11           HE2      TYR  11   3.909  -2.561  -5.982
   73    HE2  TYR  11           HE1      TYR  11   1.778  -5.938  -4.401
   74    HH   TYR  11           HH       TYR  11   4.579  -5.145  -4.568
   75    HA   PRO  12           HA       PRO  12  -1.848  -5.602  -8.062
   76   1HB   PRO  12           HB2      PRO  12  -3.304  -7.794  -8.888
   77   2HB   PRO  12           HB1      PRO  12  -4.042  -6.251  -8.419
   78   1HG   PRO  12           HG2      PRO  12  -3.587  -7.365 -11.169
   79   2HG   PRO  12           HG1      PRO  12  -4.897  -6.323 -10.585
   80   1HD   PRO  12           HD2      PRO  12  -2.696  -5.404 -12.033
   81   2HD   PRO  12           HD1      PRO  12  -3.722  -4.419 -11.048
   82    H    LYS  13           HN       LYS  13  -0.628  -7.281  -7.227
   83    HA   LYS  13           HA       LYS  13   1.067  -8.799  -9.164
   84   1HB   LYS  13           HB2      LYS  13   1.567  -7.413  -6.630
   85   2HB   LYS  13           HB1      LYS  13   2.215  -9.049  -6.660
   86   1HG   LYS  13           HG2      LYS  13   3.395  -8.565  -8.762
   87   2HG   LYS  13           HG1      LYS  13   2.708  -6.939  -8.776
   88   1HD   LYS  13           HD2      LYS  13   4.192  -6.169  -7.247
   89   2HD   LYS  13           HD1      LYS  13   4.064  -7.624  -6.258
   90   1HE   LYS  13           HE2      LYS  13   5.418  -8.764  -8.170
   91   2HE   LYS  13           HE1      LYS  13   5.834  -7.115  -8.642
   92   1HZ   LYS  13           HZ1      LYS  13   6.325  -6.950  -6.070
   93   2HZ   LYS  13           HZ3      LYS  13   6.590  -8.616  -6.254
   94   3HZ   LYS  13           HZ2      LYS  13   7.493  -7.507  -7.171
   95    HA   PRO  14           HA       PRO  14  -0.959 -12.427  -7.657
   96   1HB   PRO  14           HB2      PRO  14   0.812 -14.267  -8.672
   97   2HB   PRO  14           HB1      PRO  14  -0.391 -13.411  -9.653
   98   1HG   PRO  14           HG2      PRO  14   2.554 -12.978  -9.493
   99   2HG   PRO  14           HG1      PRO  14   1.442 -12.635 -10.826
  100   1HD   PRO  14           HD2      PRO  14   2.507 -10.738  -9.052
  101   2HD   PRO  14           HD1      PRO  14   1.147 -10.473 -10.115
  102    H    ALA  15           HN       ALA  15   1.535 -11.100  -6.181
  103    HA   ALA  15           HA       ALA  15   1.669 -13.202  -4.124
  104   1HB   ALA  15           HB2      ALA  15   4.027 -12.329  -5.780
  105   2HB   ALA  15           HB1      ALA  15   4.259 -12.851  -4.112
  106   3HB   ALA  15           HB3      ALA  15   3.560 -13.959  -5.292
  107    H    CYS  16           HN       CYS  16   1.569 -12.195  -2.158
  108    HA   CYS  16           HA       CYS  16   2.096  -9.272  -2.112
  109   1HB   CYS  16           HB2      CYS  16  -0.023 -10.712  -1.103
  110   2HB   CYS  16           HB1      CYS  16   0.998 -10.506   0.319
  111    H    THR  17           HN       THR  17   3.615 -12.154  -1.302
  112    HA   THR  17           HA       THR  17   5.618 -12.546  -0.121
  113    HB   THR  17           HB       THR  17   7.076 -10.774   0.172
  114    HG1  THR  17           HG1      THR  17   6.035  -8.608   0.667
  115   1HG2  THR  17          HG23      THR  17   5.451 -10.555  -2.032
  116   2HG2  THR  17          HG22      THR  17   5.333  -8.942  -1.329
  117   3HG2  THR  17          HG21      THR  17   6.910  -9.602  -1.761
  118    H    LEU  18           HN       LEU  18   6.360 -11.053   2.333
  119    HA   LEU  18           HA       LEU  18   3.950 -11.531   4.006
  120   1HB   LEU  18           HB2      LEU  18   5.167 -12.923   5.570
  121   2HB   LEU  18           HB1      LEU  18   5.352 -13.609   3.956
  122    HG   LEU  18           HG       LEU  18   7.445 -11.746   4.225
  123   1HD1  LEU  18          HD12      LEU  18   6.719 -13.044   6.783
  124   2HD1  LEU  18          HD11      LEU  18   8.419 -13.176   6.334
  125   3HD1  LEU  18          HD13      LEU  18   7.669 -11.587   6.490
  126   1HD2  LEU  18          HD21      LEU  18   7.297 -14.055   3.094
  127   2HD2  LEU  18          HD23      LEU  18   8.825 -13.654   3.879
  128   3HD2  LEU  18          HD22      LEU  18   7.676 -14.726   4.680
  129    H    GLU  19           HN       GLU  19   6.778  -9.639   3.422
  130    HA   GLU  19           HA       GLU  19   7.477  -8.622   5.916
  131   1HB   GLU  19           HB2      GLU  19   7.040  -7.108   3.323
  132   2HB   GLU  19           HB1      GLU  19   7.828  -6.417   4.742
  133   1HG   GLU  19           HG2      GLU  19   9.770  -7.440   4.233
  134   2HG   GLU  19           HG1      GLU  19   8.963  -9.004   4.132
  135    H    TYR  20           HN       TYR  20   6.328  -7.591   7.519
  136    HA   TYR  20           HA       TYR  20   3.516  -6.899   6.921
  137   1HB   TYR  20           HB2      TYR  20   4.120  -8.247   8.956
  138   2HB   TYR  20           HB1      TYR  20   4.929  -6.815   9.596
  139    HD1  TYR  20           HD2      TYR  20   1.740  -7.186   7.661
  140    HD2  TYR  20           HD1      TYR  20   3.600  -5.968  11.336
  141    HE1  TYR  20           HE2      TYR  20  -0.436  -6.308   8.469
  142    HE2  TYR  20           HE1      TYR  20   1.428  -5.091  12.146
  143    HH   TYR  20           HH       TYR  20  -0.796  -5.058  11.769
  144    H    ARG  21           HN       ARG  21   3.971  -4.968   5.673
  145    HA   ARG  21           HA       ARG  21   4.882  -2.650   7.337
  146   1HB   ARG  21           HB2      ARG  21   4.604  -2.509   4.348
  147   2HB   ARG  21           HB1      ARG  21   5.707  -1.627   5.405
  148   1HG   ARG  21           HG2      ARG  21   5.878  -4.606   4.860
  149   2HG   ARG  21           HG1      ARG  21   6.857  -3.388   4.043
  150   1HD   ARG  21           HD2      ARG  21   6.925  -3.052   6.936
  151   2HD   ARG  21           HD1      ARG  21   7.477  -4.657   6.453
  152    HE   ARG  21           HE       ARG  21   8.633  -2.327   5.027
  153   1HH1  ARG  21          HH11      ARG  21   8.991  -3.904   7.972
  154   2HH1  ARG  21          HH12      ARG  21  10.664  -4.297   7.758
  155   1HH2  ARG  21          HH21      ARG  21  10.758  -3.255   4.452
  156   2HH2  ARG  21          HH22      ARG  21  11.663  -3.933   5.763
  157    HA   PRO  22           HA       PRO  22   0.337  -2.395   6.892
  158   1HB   PRO  22           HB2      PRO  22   0.017  -1.031   9.277
  159   2HB   PRO  22           HB1      PRO  22   0.015  -2.801   9.119
  160   1HG   PRO  22           HG2      PRO  22   2.212  -0.992  10.076
  161   2HG   PRO  22           HG1      PRO  22   1.811  -2.641  10.593
  162   1HD   PRO  22           HD2      PRO  22   3.898  -2.043   8.871
  163   2HD   PRO  22           HD1      PRO  22   3.065  -3.615   8.904
  164    H    LEU  23           HN       LEU  23   0.128  -0.898   5.228
  165    HA   LEU  23           HA       LEU  23   0.994   1.890   5.823
  166   1HB   LEU  23           HB2      LEU  23  -0.005   0.802   3.190
  167   2HB   LEU  23           HB1      LEU  23   0.988   2.236   3.472
  168    HG   LEU  23           HG       LEU  23   2.258  -0.068   4.646
  169   1HD1  LEU  23          HD12      LEU  23   0.946  -1.285   2.913
  170   2HD1  LEU  23          HD11      LEU  23   1.692  -0.267   1.679
  171   3HD1  LEU  23          HD13      LEU  23   2.686  -1.364   2.637
  172   1HD2  LEU  23          HD22      LEU  23   2.835   2.237   2.980
  173   2HD2  LEU  23          HD21      LEU  23   3.891   1.374   4.099
  174   3HD2  LEU  23          HD23      LEU  23   3.721   0.812   2.435
  175    H    CYS  24           HN       CYS  24  -0.489   3.405   6.261
  176    HA   CYS  24           HA       CYS  24  -3.337   2.646   6.264
  177   1HB   CYS  24           HB2      CYS  24  -2.801   3.886   8.187
  178   2HB   CYS  24           HB1      CYS  24  -1.701   4.922   7.316
  179    H    GLY  25           HN       GLY  25  -4.744   3.231   4.664
  180   1HA   GLY  25           HA2      GLY  25  -3.924   4.471   2.226
  181   2HA   GLY  25           HA1      GLY  25  -5.518   4.290   2.756
  182    H    SER  26           HN       SER  26  -5.289   6.710   1.611
  183    HA   SER  26           HA       SER  26  -4.445   8.624   3.708
  184   1HB   SER  26           HB2      SER  26  -3.897   9.286   1.462
  185   2HB   SER  26           HB1      SER  26  -5.538   8.981   0.904
  186    HG   SER  26           HG       SER  26  -4.503  11.202   1.976
  187    H    ASP  27           HN       ASP  27  -7.121   6.779   3.230
  188    HA   ASP  27           HA       ASP  27  -8.982   8.889   4.220
  189   1HB   ASP  27           HB2      ASP  27 -10.796   7.343   3.553
  190   2HB   ASP  27           HB1      ASP  27  -9.744   7.721   2.187
  191    H    ASN  28           HN       ASN  28  -7.523   5.779   4.920
  192    HA   ASN  28           HA       ASN  28  -7.129   5.518   7.450
  193   1HB   ASN  28           HB2      ASN  28  -9.099   6.805   8.134
  194   2HB   ASN  28           HB1      ASN  28 -10.163   5.599   7.406
  195   1HD2  ASN  28          HD22      ASN  28 -10.236   3.907  10.497
  196   2HD2  ASN  28          HD21      ASN  28 -11.111   4.571   9.203
  197    H    LYS  29           HN       LYS  29  -7.086   3.874   5.058
  198    HA   LYS  29           HA       LYS  29  -8.363   1.385   6.132
  199   1HB   LYS  29           HB2      LYS  29  -7.361   1.336   3.344
  200   2HB   LYS  29           HB1      LYS  29  -8.855   0.699   4.021
  201   1HG   LYS  29           HG2      LYS  29  -9.606   3.144   4.258
  202   2HG   LYS  29           HG1      LYS  29  -8.260   3.528   3.185
  203   1HD   LYS  29           HD2      LYS  29 -10.383   1.477   2.514
  204   2HD   LYS  29           HD1      LYS  29 -10.471   3.165   2.007
  205   1HE   LYS  29           HE2      LYS  29  -7.886   2.398   1.313
  206   2HE   LYS  29           HE1      LYS  29  -8.867   0.989   0.908
  207   1HZ   LYS  29           HZ1      LYS  29 -10.409   2.582  -0.227
  208   2HZ   LYS  29           HZ3      LYS  29  -9.221   3.776  -0.030
  209   3HZ   LYS  29           HZ2      LYS  29  -8.890   2.396  -0.965
  210    H    THR  30           HN       THR  30  -6.769   0.477   7.382
  211    HA   THR  30           HA       THR  30  -3.953   0.592   6.703
  212    HB   THR  30           HB       THR  30  -5.535  -1.038   8.705
  213    HG1  THR  30           HG1      THR  30  -5.110   0.595   9.928
  214   1HG2  THR  30          HG23      THR  30  -2.539  -0.982   8.231
  215   2HG2  THR  30          HG22      THR  30  -3.313  -1.688   9.650
  216   3HG2  THR  30          HG21      THR  30  -3.601  -2.378   8.052
  217    H    TYR  31           HN       TYR  31  -2.793  -0.810   5.457
  218    HA   TYR  31           HA       TYR  31  -4.160  -3.315   4.560
  219   1HB   TYR  31           HB2      TYR  31  -2.392  -1.363   3.125
  220   2HB   TYR  31           HB1      TYR  31  -2.403  -3.053   2.619
  221    HD1  TYR  31           HD1      TYR  31  -4.484  -0.014   3.040
  222    HD2  TYR  31           HD2      TYR  31  -4.350  -4.059   1.599
  223    HE1  TYR  31           HE1      TYR  31  -6.636   0.334   1.865
  224    HE2  TYR  31           HE2      TYR  31  -6.507  -3.709   0.425
  225    HH   TYR  31           HH       TYR  31  -8.618  -1.568   1.062
  226    H    GLY  32           HN       GLY  32  -3.031  -5.222   4.853
  227   1HA   GLY  32           HA2      GLY  32  -1.232  -5.512   6.881
  228   2HA   GLY  32           HA1      GLY  32  -1.268  -6.638   5.545
  229    H    ASN  33           HN       ASN  33  -0.194  -5.180   3.442
  230    HA   ASN  33           HA       ASN  33   2.257  -3.911   4.490
  231   1HB   ASN  33           HB2      ASN  33   3.691  -5.444   3.059
  232   2HB   ASN  33           HB1      ASN  33   3.000  -6.149   4.500
  233   1HD2  ASN  33          HD22      ASN  33   2.391  -8.485   1.669
  234   2HD2  ASN  33          HD21      ASN  33   3.769  -7.833   2.406
  235    H    LYS  34           HN       LYS  34   3.775  -3.839   2.264
  236    HA   LYS  34           HA       LYS  34   2.766  -1.675   0.818
  237   1HB   LYS  34           HB2      LYS  34   4.593  -2.531  -0.869
  238   2HB   LYS  34           HB1      LYS  34   5.073  -1.898   0.693
  239   1HG   LYS  34           HG2      LYS  34   5.792  -3.933   1.420
  240   2HG   LYS  34           HG1      LYS  34   4.438  -4.792   0.676
  241   1HD   LYS  34           HD2      LYS  34   6.606  -3.600  -1.043
  242   2HD   LYS  34           HD1      LYS  34   6.851  -5.165  -0.271
  243   1HE   LYS  34           HE2      LYS  34   4.276  -4.737  -1.713
  244   2HE   LYS  34           HE1      LYS  34   5.727  -4.951  -2.690
  245   1HZ   LYS  34           HZ1      LYS  34   6.192  -6.995  -1.481
  246   2HZ   LYS  34           HZ3      LYS  34   4.783  -6.793  -0.560
  247   3HZ   LYS  34           HZ2      LYS  34   4.670  -7.066  -2.233
  248    H    CYS  35           HN       CYS  35   2.912  -5.094  -0.302
  249    HA   CYS  35           HA       CYS  35   1.698  -4.505  -2.801
  250   1HB   CYS  35           HB2      CYS  35   1.152  -6.990  -2.745
  251   2HB   CYS  35           HB1      CYS  35   2.851  -6.570  -2.590
  252    H    ASN  36           HN       ASN  36   0.208  -5.825   0.219
  253    HA   ASN  36           HA       ASN  36  -2.448  -5.881  -0.740
  254   1HB   ASN  36           HB2      ASN  36  -1.172  -5.701   1.930
  255   2HB   ASN  36           HB1      ASN  36  -2.859  -5.195   1.840
  256   1HD2  ASN  36          HD22      ASN  36  -1.911  -9.118   1.576
  257   2HD2  ASN  36          HD21      ASN  36  -0.737  -7.920   1.811
  258    H    PHE  37           HN       PHE  37  -0.511  -3.172   0.409
  259    HA   PHE  37           HA       PHE  37  -2.732  -1.302   0.615
  260   1HB   PHE  37           HB2      PHE  37  -0.528  -1.135   1.773
  261   2HB   PHE  37           HB1      PHE  37   0.213  -0.633   0.367
  262    HD1  PHE  37           HD1      PHE  37  -2.779   0.293   2.386
  263    HD2  PHE  37           HD2      PHE  37   0.349   1.476  -0.259
  264    HE1  PHE  37           HE1      PHE  37  -3.552   2.639   2.566
  265    HE2  PHE  37           HE2      PHE  37  -0.393   3.828  -0.118
  266    HZ   PHE  37           HZ       PHE  37  -2.337   4.435   1.302
  267    H    CYS  38           HN       CYS  38  -0.373  -2.128  -1.726
  268    HA   CYS  38           HA       CYS  38  -0.987   0.127  -3.455
  269   1HB   CYS  38           HB2      CYS  38   1.205  -0.850  -3.692
  270   2HB   CYS  38           HB1      CYS  38   0.521  -2.432  -4.076
  271    H    ASN  39           HN       ASN  39  -1.781  -3.378  -3.703
  272    HA   ASN  39           HA       ASN  39  -3.228  -3.439  -6.047
  273   1HB   ASN  39           HB2      ASN  39  -4.345  -4.606  -3.473
  274   2HB   ASN  39           HB1      ASN  39  -4.588  -5.205  -5.114
  275   1HD2  ASN  39          HD22      ASN  39  -1.962  -7.378  -3.727
  276   2HD2  ASN  39          HD21      ASN  39  -3.632  -7.142  -3.532
  277    H    ALA  40           HN       ALA  40  -4.060  -1.833  -3.064
  278    HA   ALA  40           HA       ALA  40  -6.772  -1.143  -3.869
  279   1HB   ALA  40           HB2      ALA  40  -6.009  -1.253  -1.470
  280   2HB   ALA  40           HB1      ALA  40  -4.986   0.151  -1.777
  281   3HB   ALA  40           HB3      ALA  40  -6.740   0.297  -1.888
  282    H    VAL  41           HN       VAL  41  -3.671   0.582  -3.610
  283    HA   VAL  41           HA       VAL  41  -4.426   3.071  -4.692
  284    HB   VAL  41           HB       VAL  41  -1.826   1.549  -5.057
  285   1HG1  VAL  41          HG11      VAL  41  -2.617   3.834  -6.384
  286   2HG1  VAL  41          HG13      VAL  41  -1.767   4.487  -4.983
  287   3HG1  VAL  41          HG12      VAL  41  -0.944   3.371  -6.072
  288   1HG2  VAL  41          HG22      VAL  41  -2.902   2.241  -2.699
  289   2HG2  VAL  41          HG21      VAL  41  -1.167   2.337  -2.997
  290   3HG2  VAL  41          HG23      VAL  41  -2.164   3.787  -3.115
  291    H    VAL  42           HN       VAL  42  -2.854   0.418  -6.495
  292    HA   VAL  42           HA       VAL  42  -3.258   1.519  -9.055
  293    HB   VAL  42           HB       VAL  42  -1.585  -0.184  -8.589
  294   1HG1  VAL  42          HG13      VAL  42  -3.904  -1.601  -7.496
  295   2HG1  VAL  42          HG12      VAL  42  -2.854  -2.607  -8.494
  296   3HG1  VAL  42          HG11      VAL  42  -2.192  -1.754  -7.100
  297   1HG2  VAL  42          HG23      VAL  42  -3.652  -0.512 -10.648
  298   2HG2  VAL  42          HG22      VAL  42  -1.896  -0.465 -10.809
  299   3HG2  VAL  42          HG21      VAL  42  -2.699  -1.965 -10.343
  300    H    GLU  43           HN       GLU  43  -5.426  -0.468  -7.056
  301    HA   GLU  43           HA       GLU  43  -7.218  -0.823  -9.394
  302   1HB   GLU  43           HB2      GLU  43  -6.739  -2.551  -7.403
  303   2HB   GLU  43           HB1      GLU  43  -8.072  -1.686  -6.672
  304   1HG   GLU  43           HG2      GLU  43  -8.832  -2.112  -9.347
  305   2HG   GLU  43           HG1      GLU  43  -8.145  -3.638  -8.793
  306    H    SER  44           HN       SER  44  -6.571   1.674  -7.507
  307    HA   SER  44           HA       SER  44  -9.435   2.537  -7.391
  308   1HB   SER  44           HB2      SER  44  -9.067   3.648  -5.337
  309   2HB   SER  44           HB1      SER  44  -8.233   2.110  -5.139
  310    HG   SER  44           HG       SER  44  -6.301   3.137  -5.597
  311    H    ASN  45           HN       ASN  45  -6.618   2.971  -8.995
  312    HA   ASN  45           HA       ASN  45  -6.010   4.669 -10.515
  313   1HB   ASN  45           HB2      ASN  45  -8.679   5.241 -10.013
  314   2HB   ASN  45           HB1      ASN  45  -7.857   6.732  -9.561
  315   1HD2  ASN  45          HD22      ASN  45  -8.555   6.635 -13.299
  316   2HD2  ASN  45          HD21      ASN  45  -9.553   6.350 -11.956
  317    H    GLY  46           HN       GLY  46  -5.754   4.633  -7.275
  318   1HA   GLY  46           HA2      GLY  46  -3.969   5.645  -6.051
  319   2HA   GLY  46           HA1      GLY  46  -3.837   6.883  -7.293
  320    H    THR  47           HN       THR  47  -7.051   6.262  -6.323
  321    HA   THR  47           HA       THR  47  -7.226   8.906  -5.074
  322    HB   THR  47           HB       THR  47  -9.071   8.042  -6.484
  323    HG1  THR  47           HG1      THR  47 -10.231   9.235  -5.234
  324   1HG2  THR  47          HG22      THR  47  -8.612   5.634  -5.445
  325   2HG2  THR  47          HG21      THR  47  -9.876   6.143  -4.324
  326   3HG2  THR  47          HG23      THR  47 -10.205   6.078  -6.055
  327    H    LEU  48           HN       LEU  48  -6.370   5.834  -4.030
  328    HA   LEU  48           HA       LEU  48  -7.446   6.057  -1.312
  329   1HB   LEU  48           HB2      LEU  48  -7.332   3.817  -1.954
  330   2HB   LEU  48           HB1      LEU  48  -5.859   4.061  -2.884
  331    HG   LEU  48           HG       LEU  48  -4.557   4.263  -0.805
  332   1HD1  LEU  48          HD13      LEU  48  -7.265   4.426   0.327
  333   2HD1  LEU  48          HD12      LEU  48  -6.173   3.362   1.215
  334   3HD1  LEU  48          HD11      LEU  48  -5.741   5.050   0.954
  335   1HD2  LEU  48          HD22      LEU  48  -5.851   1.945  -1.779
  336   2HD2  LEU  48          HD21      LEU  48  -4.358   2.021  -0.844
  337   3HD2  LEU  48          HD23      LEU  48  -5.908   1.837  -0.020
  338    H    THR  49           HN       THR  49  -4.175   5.539  -2.511
  339    HA   THR  49           HA       THR  49  -2.109   6.321  -1.778
  340    HB   THR  49           HB       THR  49  -1.949   8.651  -1.449
  341    HG1  THR  49           HG1      THR  49  -3.640   9.877  -0.671
  342   1HG2  THR  49          HG22      THR  49  -4.037   7.728  -3.318
  343   2HG2  THR  49          HG21      THR  49  -4.072   9.453  -2.956
  344   3HG2  THR  49          HG23      THR  49  -2.613   8.722  -3.620
  345    H    LEU  50           HN       LEU  50  -1.133   7.394   0.424
  346    HA   LEU  50           HA       LEU  50  -2.659   6.122   2.614
  347   1HB   LEU  50           HB2      LEU  50  -0.927   4.721   2.826
  348   2HB   LEU  50           HB1      LEU  50  -0.104   5.526   1.507
  349    HG   LEU  50           HG       LEU  50   0.086   6.957   4.077
  350   1HD1  LEU  50          HD12      LEU  50   0.043   4.611   4.811
  351   2HD1  LEU  50          HD11      LEU  50   1.324   4.238   3.657
  352   3HD1  LEU  50          HD13      LEU  50   1.646   5.322   5.011
  353   1HD2  LEU  50          HD21      LEU  50   1.939   6.007   1.872
  354   2HD2  LEU  50          HD23      LEU  50   1.449   7.665   2.223
  355   3HD2  LEU  50          HD22      LEU  50   2.536   6.815   3.322
  356    H    SER  51           HN       SER  51  -2.047   6.988   4.795
  357    HA   SER  51           HA       SER  51  -1.746   9.941   4.621
  358   1HB   SER  51           HB2      SER  51  -3.733   8.276   5.815
  359   2HB   SER  51           HB1      SER  51  -2.859   9.011   7.093
  360    HG   SER  51           HG       SER  51  -4.718  10.113   5.692
  361    H    HIS  52           HN       HIS  52  -0.533   6.986   5.903
  362    HA   HIS  52           HA       HIS  52   1.875   8.207   6.881
  363   1HB   HIS  52           HB2      HIS  52   1.571   7.921   9.291
  364   2HB   HIS  52           HB1      HIS  52   0.322   8.998   8.667
  365    HD1  HIS  52           HD1      HIS  52   0.562   6.376  10.961
  366    HD2  HIS  52           HD2      HIS  52  -2.021   7.055   7.756
  367    HE1  HIS  52           HE1      HIS  52  -1.489   4.948  11.376
  368    H    PHE  53           HN       PHE  53   3.432   6.617   7.213
  369    HA   PHE  53           HA       PHE  53   2.753   3.918   6.430
  370   1HB   PHE  53           HB2      PHE  53   5.271   5.145   7.580
  371   2HB   PHE  53           HB1      PHE  53   5.139   3.443   7.131
  372    HD1  PHE  53           HD2      PHE  53   5.003   6.919   5.844
  373    HD2  PHE  53           HD1      PHE  53   5.115   2.744   4.833
  374    HE1  PHE  53           HE2      PHE  53   5.426   7.505   3.474
  375    HE2  PHE  53           HE1      PHE  53   5.540   3.330   2.460
  376    HZ   PHE  53           HZ       PHE  53   5.695   5.711   1.781
  377    H    GLY  54           HN       GLY  54   1.645   2.624   7.782
  378   1HA   GLY  54           HA2      GLY  54   2.422   1.424  10.063
  379   2HA   GLY  54           HA1      GLY  54   1.812   2.954  10.674
  380    H    LYS  55           HN       LYS  55   0.357   1.120  11.633
  381    HA   LYS  55           HA       LYS  55  -1.822   0.334   9.813
  382   1HB   LYS  55           HB2      LYS  55  -2.714  -0.324  12.338
  383   2HB   LYS  55           HB1      LYS  55  -1.830  -1.415  11.277
  384   1HG   LYS  55           HG2      LYS  55   0.240  -0.928  12.361
  385   2HG   LYS  55           HG1      LYS  55  -0.434   0.483  13.177
  386   1HD   LYS  55           HD2      LYS  55  -0.529  -1.054  14.903
  387   2HD   LYS  55           HD1      LYS  55  -2.113  -1.314  14.173
  388   1HE   LYS  55           HE2      LYS  55  -0.119  -2.904  12.813
  389   2HE   LYS  55           HE1      LYS  55  -0.082  -3.233  14.545
  390   1HZ   LYS  55           HZ3      LYS  55  -2.594  -3.383  14.355
  391   2HZ   LYS  55           HZ2      LYS  55  -2.358  -3.484  12.677
  392   3HZ   LYS  55           HZ1      LYS  55  -1.695  -4.666  13.702
  393    H    CYS  56           HN       CYS  56  -2.991   2.130   9.260
  394    HA   CYS  56           HA       CYS  56  -3.525   4.444  10.653
  395   1HB   CYS  56           HB2      CYS  56  -4.590   3.211   8.394
  396   2HB   CYS  56           HB1      CYS  56  -5.984   3.429   9.452
   
  No H/Q in entry =         396
  Start of MODEL          15
 Raw file had  401 H/Q atoms
  Start of MODEL   15
    1   1H    LEU   1           HT3      LEU   1  12.556  16.555   2.668
    2   2H    LEU   1           HT2      LEU   1  12.166  17.902   1.709
    3   3H    LEU   1           HT1      LEU   1  12.435  18.091   3.377
    4    HA   LEU   1           HA       LEU   1  10.252  17.923   3.654
    5   1HB   LEU   1           HB2      LEU   1   8.768  17.221   1.786
    6   2HB   LEU   1           HB1      LEU   1   9.919  18.461   1.284
    7    HG   LEU   1           HG       LEU   1  11.354  16.191   0.789
    8   1HD1  LEU   1          HD13      LEU   1   8.628  15.366   1.110
    9   2HD1  LEU   1          HD12      LEU   1   9.068  15.194  -0.590
   10   3HD1  LEU   1          HD11      LEU   1  10.021  14.385   0.655
   11   1HD2  LEU   1          HD21      LEU   1   9.657  18.040  -0.800
   12   2HD2  LEU   1          HD23      LEU   1  11.366  17.643  -0.983
   13   3HD2  LEU   1          HD22      LEU   1  10.134  16.546  -1.607
   14    H    ALA   2           HN       ALA   2   8.544  16.183   4.001
   15    HA   ALA   2           HA       ALA   2   9.922  13.662   4.722
   16   1HB   ALA   2           HB2      ALA   2   8.258  15.089   6.212
   17   2HB   ALA   2           HB1      ALA   2   7.031  14.185   5.325
   18   3HB   ALA   2           HB3      ALA   2   8.236  13.327   6.286
   19    H    ALA   3           HN       ALA   3   9.723  11.886   3.446
   20    HA   ALA   3           HA       ALA   3   8.093  11.926   1.062
   21   1HB   ALA   3           HB3      ALA   3   9.501   9.608   2.423
   22   2HB   ALA   3           HB2      ALA   3   8.840   9.583   0.788
   23   3HB   ALA   3           HB1      ALA   3  10.195  10.645   1.175
   24    H    VAL   4           HN       VAL   4   6.192  10.710   0.628
   25    HA   VAL   4           HA       VAL   4   4.945   9.133   2.763
   26    HB   VAL   4           HB       VAL   4   4.344  11.413   3.458
   27   1HG1  VAL   4          HG13      VAL   4   4.405  12.001   0.781
   28   2HG1  VAL   4          HG12      VAL   4   2.668  11.933   1.085
   29   3HG1  VAL   4          HG11      VAL   4   3.682  13.039   2.011
   30   1HG2  VAL   4          HG21      VAL   4   2.513   9.322   2.772
   31   2HG2  VAL   4          HG23      VAL   4   2.365  10.521   4.057
   32   3HG2  VAL   4          HG22      VAL   4   1.726  10.868   2.450
   33    H    SER   5           HN       SER   5   4.955   7.498   1.123
   34    HA   SER   5           HA       SER   5   2.646   7.094  -0.359
   35   1HB   SER   5           HB2      SER   5   2.757   8.626  -2.023
   36   2HB   SER   5           HB1      SER   5   4.426   9.033  -1.636
   37    HG   SER   5           HG       SER   5   4.964   7.886  -3.299
   38    H    VAL   6           HN       VAL   6   2.853   5.246  -1.862
   39    HA   VAL   6           HA       VAL   6   5.471   3.828  -1.568
   40    HB   VAL   6           HB       VAL   6   2.723   2.547  -1.514
   41   1HG1  VAL   6          HG13      VAL   6   5.554   1.529  -1.210
   42   2HG1  VAL   6          HG12      VAL   6   4.169   0.621  -0.604
   43   3HG1  VAL   6          HG11      VAL   6   4.308   0.970  -2.327
   44   1HG2  VAL   6          HG21      VAL   6   3.732   4.059   0.495
   45   2HG2  VAL   6          HG23      VAL   6   2.747   2.624   0.779
   46   3HG2  VAL   6          HG22      VAL   6   4.505   2.517   0.865
   47    H    ASP   7           HN       ASP   7   5.807   2.164  -3.288
   48    HA   ASP   7           HA       ASP   7   4.884   3.222  -5.882
   49   1HB   ASP   7           HB2      ASP   7   7.260   2.646  -5.616
   50   2HB   ASP   7           HB1      ASP   7   6.822   0.984  -5.216
   51    H    CYS   8           HN       CYS   8   3.135   2.368  -6.892
   52    HA   CYS   8           HA       CYS   8   2.553  -0.521  -6.589
   53   1HB   CYS   8           HB2      CYS   8   0.331   1.482  -6.222
   54   2HB   CYS   8           HB1      CYS   8   0.347  -0.230  -5.803
   55    H    SER   9           HN       SER   9   3.524   1.153  -8.787
   56    HA   SER   9           HA       SER   9   1.208   1.406 -10.604
   57   1HB   SER   9           HB2      SER   9   3.214   3.037 -10.476
   58   2HB   SER   9           HB1      SER   9   4.104   1.798 -11.359
   59    HG   SER   9           HG       SER   9   2.871   3.520 -12.565
   60    H    GLU  10           HN       GLU  10   2.458  -1.234  -9.556
   61    HA   GLU  10           HA       GLU  10   2.601  -2.515 -12.251
   62   1HB   GLU  10           HB2      GLU  10   4.323  -3.240  -9.859
   63   2HB   GLU  10           HB1      GLU  10   4.356  -4.021 -11.441
   64   1HG   GLU  10           HG2      GLU  10   6.051  -2.534 -11.826
   65   2HG   GLU  10           HG1      GLU  10   4.715  -1.439 -12.186
   66    H    TYR  11           HN       TYR  11   0.768  -2.221  -9.638
   67    HA   TYR  11           HA       TYR  11   0.276  -5.045  -9.086
   68   1HB   TYR  11           HB2      TYR  11  -0.800  -2.432  -8.008
   69   2HB   TYR  11           HB1      TYR  11  -1.425  -3.989  -7.480
   70    HD1  TYR  11           HD2      TYR  11   1.553  -1.815  -7.602
   71    HD2  TYR  11           HD1      TYR  11  -0.079  -5.496  -6.107
   72    HE1  TYR  11           HE2      TYR  11   3.510  -2.073  -6.104
   73    HE2  TYR  11           HE1      TYR  11   1.889  -5.760  -4.612
   74    HH   TYR  11           HH       TYR  11   4.359  -4.899  -4.664
   75    HA   PRO  12           HA       PRO  12  -1.875  -5.631  -7.966
   76   1HB   PRO  12           HB2      PRO  12  -3.098  -8.000  -8.638
   77   2HB   PRO  12           HB1      PRO  12  -3.980  -6.537  -8.161
   78   1HG   PRO  12           HG2      PRO  12  -3.601  -7.694 -10.895
   79   2HG   PRO  12           HG1      PRO  12  -4.956  -6.750 -10.253
   80   1HD   PRO  12           HD2      PRO  12  -2.919  -5.727 -11.887
   81   2HD   PRO  12           HD1      PRO  12  -4.012  -4.769 -10.911
   82    H    LYS  13           HN       LYS  13  -0.460  -7.176  -7.141
   83    HA   LYS  13           HA       LYS  13   1.474  -8.304  -9.093
   84   1HB   LYS  13           HB2      LYS  13   1.706  -7.068  -6.556
   85   2HB   LYS  13           HB1      LYS  13   2.164  -8.755  -6.332
   86   1HG   LYS  13           HG2      LYS  13   3.433  -8.177  -8.683
   87   2HG   LYS  13           HG1      LYS  13   3.523  -6.622  -7.858
   88   1HD   LYS  13           HD2      LYS  13   4.486  -7.734  -5.871
   89   2HD   LYS  13           HD1      LYS  13   4.415  -9.284  -6.711
   90   1HE   LYS  13           HE2      LYS  13   5.797  -7.024  -8.091
   91   2HE   LYS  13           HE1      LYS  13   6.630  -7.788  -6.737
   92   1HZ   LYS  13           HZ1      LYS  13   5.664  -9.889  -8.151
   93   2HZ   LYS  13           HZ3      LYS  13   6.111  -8.801  -9.373
   94   3HZ   LYS  13           HZ2      LYS  13   7.257  -9.303  -8.224
   95    HA   PRO  14           HA       PRO  14  -0.123 -12.358  -8.395
   96   1HB   PRO  14           HB2      PRO  14   2.031 -13.762  -9.364
   97   2HB   PRO  14           HB1      PRO  14   0.855 -12.929 -10.396
   98   1HG   PRO  14           HG2      PRO  14   3.647 -12.136  -9.711
   99   2HG   PRO  14           HG1      PRO  14   2.693 -11.750 -11.152
  100   1HD   PRO  14           HD2      PRO  14   3.187 -10.007  -9.005
  101   2HD   PRO  14           HD1      PRO  14   1.951  -9.789 -10.229
  102    H    ALA  15           HN       ALA  15   1.899 -10.950  -6.378
  103    HA   ALA  15           HA       ALA  15   1.930 -13.119  -4.478
  104   1HB   ALA  15           HB3      ALA  15   4.153 -12.965  -6.280
  105   2HB   ALA  15           HB2      ALA  15   4.711 -12.517  -4.667
  106   3HB   ALA  15           HB1      ALA  15   3.919 -14.072  -4.927
  107    H    CYS  16           HN       CYS  16   1.600 -12.032  -2.599
  108    HA   CYS  16           HA       CYS  16   2.557  -9.230  -2.386
  109   1HB   CYS  16           HB2      CYS  16   0.677 -10.859  -0.648
  110   2HB   CYS  16           HB1      CYS  16   1.122  -9.184  -0.331
  111    H    THR  17           HN       THR  17   4.249  -8.675  -1.069
  112    HA   THR  17           HA       THR  17   6.117 -10.483  -0.082
  113    HB   THR  17           HB       THR  17   6.804  -8.667   1.514
  114    HG1  THR  17           HG1      THR  17   5.550  -6.710   1.295
  115   1HG2  THR  17          HG21      THR  17   7.235  -8.744  -1.069
  116   2HG2  THR  17          HG23      THR  17   6.113  -7.386  -1.114
  117   3HG2  THR  17          HG22      THR  17   7.603  -7.268  -0.177
  118    H    LEU  18           HN       LEU  18   6.588 -10.873   2.364
  119    HA   LEU  18           HA       LEU  18   4.001 -11.675   3.617
  120   1HB   LEU  18           HB2      LEU  18   6.776 -12.851   3.738
  121   2HB   LEU  18           HB1      LEU  18   5.574 -13.231   4.972
  122    HG   LEU  18           HG       LEU  18   5.076 -13.552   2.001
  123   1HD1  LEU  18          HD12      LEU  18   6.398 -15.316   3.989
  124   2HD1  LEU  18          HD11      LEU  18   5.181 -16.083   2.970
  125   3HD1  LEU  18          HD13      LEU  18   6.565 -15.274   2.235
  126   1HD2  LEU  18          HD22      LEU  18   3.535 -13.989   4.508
  127   2HD2  LEU  18          HD21      LEU  18   2.961 -13.567   2.894
  128   3HD2  LEU  18          HD23      LEU  18   3.382 -15.237   3.272
  129    H    GLU  19           HN       GLU  19   7.137 -10.120   4.281
  130    HA   GLU  19           HA       GLU  19   7.002  -9.746   7.030
  131   1HB   GLU  19           HB2      GLU  19   8.186  -7.607   6.704
  132   2HB   GLU  19           HB1      GLU  19   8.834  -8.848   5.632
  133   1HG   GLU  19           HG2      GLU  19   6.604  -7.430   4.406
  134   2HG   GLU  19           HG1      GLU  19   7.905  -6.332   4.864
  135    H    TYR  20           HN       TYR  20   5.929  -8.230   8.410
  136    HA   TYR  20           HA       TYR  20   3.327  -7.353   7.333
  137   1HB   TYR  20           HB2      TYR  20   3.492  -8.540   9.529
  138   2HB   TYR  20           HB1      TYR  20   4.383  -7.158  10.168
  139    HD1  TYR  20           HD2      TYR  20   1.368  -7.468   7.942
  140    HD2  TYR  20           HD1      TYR  20   3.023  -5.905  11.587
  141    HE1  TYR  20           HE2      TYR  20  -0.772  -6.295   8.412
  142    HE2  TYR  20           HE1      TYR  20   0.886  -4.737  12.054
  143    HH   TYR  20           HH       TYR  20  -1.890  -5.436  10.866
  144    H    ARG  21           HN       ARG  21   3.241  -5.400   6.403
  145    HA   ARG  21           HA       ARG  21   4.523  -3.098   7.792
  146   1HB   ARG  21           HB2      ARG  21   4.646  -3.685   4.814
  147   2HB   ARG  21           HB1      ARG  21   5.157  -2.169   5.557
  148   1HG   ARG  21           HG2      ARG  21   6.296  -4.655   6.723
  149   2HG   ARG  21           HG1      ARG  21   6.858  -4.218   5.109
  150   1HD   ARG  21           HD2      ARG  21   8.069  -2.476   5.896
  151   2HD   ARG  21           HD1      ARG  21   6.740  -1.916   6.910
  152    HE   ARG  21           HE       ARG  21   7.936  -4.280   8.041
  153   1HH1  ARG  21          HH21      ARG  21   7.415  -1.031   8.519
  154   2HH1  ARG  21          HH22      ARG  21   8.832  -0.747   9.473
  155   1HH2  ARG  21          HH11      ARG  21  10.195  -3.878   8.855
  156   2HH2  ARG  21          HH12      ARG  21  10.408  -2.361   9.664
  157    HA   PRO  22           HA       PRO  22   0.070  -2.495   6.948
  158   1HB   PRO  22           HB2      PRO  22  -0.325  -0.997   9.237
  159   2HB   PRO  22           HB1      PRO  22  -0.466  -2.768   9.153
  160   1HG   PRO  22           HG2      PRO  22   1.767  -1.097  10.249
  161   2HG   PRO  22           HG1      PRO  22   1.208  -2.699  10.760
  162   1HD   PRO  22           HD2      PRO  22   3.475  -2.260   9.204
  163   2HD   PRO  22           HD1      PRO  22   2.574  -3.793   9.254
  164    H    LEU  23           HN       LEU  23   0.033  -1.046   5.255
  165    HA   LEU  23           HA       LEU  23   1.079   1.700   5.744
  166   1HB   LEU  23           HB2      LEU  23   0.076   0.527   3.140
  167   2HB   LEU  23           HB1      LEU  23   1.102   1.946   3.360
  168    HG   LEU  23           HG       LEU  23   2.158  -0.534   4.561
  169   1HD1  LEU  23          HD13      LEU  23   1.058  -1.302   2.420
  170   2HD1  LEU  23          HD12      LEU  23   2.147  -0.218   1.555
  171   3HD1  LEU  23          HD11      LEU  23   2.801  -1.562   2.491
  172   1HD2  LEU  23          HD21      LEU  23   3.078   1.944   3.262
  173   2HD2  LEU  23          HD23      LEU  23   3.827   1.003   4.551
  174   3HD2  LEU  23          HD22      LEU  23   4.042   0.519   2.869
  175    H    CYS  24           HN       CYS  24  -0.414   3.204   6.332
  176    HA   CYS  24           HA       CYS  24  -3.267   2.581   6.122
  177   1HB   CYS  24           HB2      CYS  24  -2.758   3.790   8.085
  178   2HB   CYS  24           HB1      CYS  24  -1.655   4.849   7.242
  179    H    GLY  25           HN       GLY  25  -4.713   3.460   4.683
  180   1HA   GLY  25           HA2      GLY  25  -3.852   4.523   2.153
  181   2HA   GLY  25           HA1      GLY  25  -5.433   4.524   2.760
  182    H    SER  26           HN       SER  26  -5.112   6.848   1.571
  183    HA   SER  26           HA       SER  26  -3.913   8.723   3.544
  184   1HB   SER  26           HB2      SER  26  -3.670   8.897   0.955
  185   2HB   SER  26           HB1      SER  26  -5.305   9.550   0.995
  186    HG   SER  26           HG       SER  26  -3.953  11.272   1.217
  187    H    ASP  27           HN       ASP  27  -6.901   7.305   2.951
  188    HA   ASP  27           HA       ASP  27  -8.434   9.633   3.962
  189   1HB   ASP  27           HB2      ASP  27 -10.410   8.294   3.500
  190   2HB   ASP  27           HB1      ASP  27  -9.340   8.201   2.101
  191    H    ASN  28           HN       ASN  28  -7.416   6.389   4.865
  192    HA   ASN  28           HA       ASN  28  -6.868   6.455   7.456
  193   1HB   ASN  28           HB2      ASN  28  -9.027   6.178   8.752
  194   2HB   ASN  28           HB1      ASN  28  -8.765   7.799   8.119
  195   1HD2  ASN  28          HD22      ASN  28 -11.916   7.666   6.545
  196   2HD2  ASN  28          HD21      ASN  28 -10.817   8.547   7.494
  197    H    LYS  29           HN       LYS  29  -6.857   4.640   5.213
  198    HA   LYS  29           HA       LYS  29  -8.328   2.286   6.306
  199   1HB   LYS  29           HB2      LYS  29  -8.163   3.194   3.724
  200   2HB   LYS  29           HB1      LYS  29  -6.883   1.981   3.752
  201   1HG   LYS  29           HG2      LYS  29  -8.831   0.770   3.153
  202   2HG   LYS  29           HG1      LYS  29  -8.614   0.436   4.872
  203   1HD   LYS  29           HD2      LYS  29 -10.557   1.450   5.409
  204   2HD   LYS  29           HD1      LYS  29 -10.176   2.859   4.418
  205   1HE   LYS  29           HE2      LYS  29 -10.767   0.501   2.799
  206   2HE   LYS  29           HE1      LYS  29 -12.114   0.945   3.848
  207   1HZ   LYS  29           HZ1      LYS  29 -10.706   3.015   2.302
  208   2HZ   LYS  29           HZ3      LYS  29 -11.886   2.057   1.550
  209   3HZ   LYS  29           HZ2      LYS  29 -12.298   3.013   2.893
  210    H    THR  30           HN       THR  30  -6.888   0.164   5.650
  211    HA   THR  30           HA       THR  30  -4.033   0.616   6.269
  212    HB   THR  30           HB       THR  30  -5.946  -0.852   8.101
  213    HG1  THR  30           HG1      THR  30  -4.411   1.413   8.161
  214   1HG2  THR  30          HG21      THR  30  -3.167  -1.507   7.423
  215   2HG2  THR  30          HG23      THR  30  -3.408  -1.228   9.148
  216   3HG2  THR  30          HG22      THR  30  -4.359  -2.456   8.313
  217    H    TYR  31           HN       TYR  31  -2.779  -0.979   5.347
  218    HA   TYR  31           HA       TYR  31  -4.175  -3.410   4.312
  219   1HB   TYR  31           HB2      TYR  31  -2.319  -1.512   2.887
  220   2HB   TYR  31           HB1      TYR  31  -2.483  -3.189   2.355
  221    HD1  TYR  31           HD1      TYR  31  -4.528  -0.181   3.256
  222    HD2  TYR  31           HD2      TYR  31  -4.295  -3.802   0.962
  223    HE1  TYR  31           HE1      TYR  31  -6.665   0.388   2.135
  224    HE2  TYR  31           HE2      TYR  31  -6.426  -3.232  -0.161
  225    HH   TYR  31           HH       TYR  31  -7.676  -0.500  -0.456
  226    H    GLY  32           HN       GLY  32  -3.086  -5.315   4.705
  227   1HA   GLY  32           HA2      GLY  32  -1.294  -5.534   6.753
  228   2HA   GLY  32           HA1      GLY  32  -1.341  -6.723   5.478
  229    H    ASN  33           HN       ASN  33  -0.228  -5.521   3.316
  230    HA   ASN  33           HA       ASN  33   2.221  -4.174   4.295
  231   1HB   ASN  33           HB2      ASN  33   3.714  -5.642   3.056
  232   2HB   ASN  33           HB1      ASN  33   2.788  -6.556   4.217
  233   1HD2  ASN  33          HD22      ASN  33   2.486  -8.628   1.269
  234   2HD2  ASN  33          HD21      ASN  33   3.548  -8.311   2.551
  235    H    LYS  34           HN       LYS  34   3.638  -4.205   1.932
  236    HA   LYS  34           HA       LYS  34   2.465  -2.024   0.552
  237   1HB   LYS  34           HB2      LYS  34   4.432  -2.113  -0.761
  238   2HB   LYS  34           HB1      LYS  34   4.922  -2.677   0.824
  239   1HG   LYS  34           HG2      LYS  34   4.538  -5.039   0.009
  240   2HG   LYS  34           HG1      LYS  34   4.301  -4.371  -1.610
  241   1HD   LYS  34           HD2      LYS  34   6.747  -3.483  -0.174
  242   2HD   LYS  34           HD1      LYS  34   6.718  -5.164  -0.708
  243   1HE   LYS  34           HE2      LYS  34   7.586  -4.082  -2.591
  244   2HE   LYS  34           HE1      LYS  34   5.863  -4.146  -2.972
  245   1HZ   LYS  34           HZ2      LYS  34   6.554  -1.853  -1.411
  246   2HZ   LYS  34           HZ1      LYS  34   7.404  -1.899  -2.881
  247   3HZ   LYS  34           HZ3      LYS  34   5.708  -1.944  -2.881
  248    H    CYS  35           HN       CYS  35   2.579  -5.505  -0.256
  249    HA   CYS  35           HA       CYS  35   1.591  -5.122  -2.921
  250   1HB   CYS  35           HB2      CYS  35   2.712  -7.189  -2.364
  251   2HB   CYS  35           HB1      CYS  35   1.529  -7.540  -1.105
  252    H    ASN  36           HN       ASN  36  -0.015  -5.517   0.195
  253    HA   ASN  36           HA       ASN  36  -2.646  -5.868  -1.034
  254   1HB   ASN  36           HB2      ASN  36  -1.631  -5.499   1.774
  255   2HB   ASN  36           HB1      ASN  36  -3.351  -5.319   1.432
  256   1HD2  ASN  36          HD22      ASN  36  -1.635  -9.017   1.302
  257   2HD2  ASN  36          HD21      ASN  36  -0.679  -7.626   1.478
  258    H    PHE  37           HN       PHE  37  -0.865  -3.266   0.556
  259    HA   PHE  37           HA       PHE  37  -2.923  -1.261   0.374
  260   1HB   PHE  37           HB2      PHE  37  -0.812  -1.254   1.760
  261   2HB   PHE  37           HB1      PHE  37   0.058  -0.744   0.417
  262    HD1  PHE  37           HD1      PHE  37  -2.922   0.293   2.403
  263    HD2  PHE  37           HD2      PHE  37   0.169   1.298  -0.363
  264    HE1  PHE  37           HE1      PHE  37  -3.643   2.669   2.503
  265    HE2  PHE  37           HE2      PHE  37  -0.501   3.666  -0.300
  266    HZ   PHE  37           HZ       PHE  37  -2.386   4.389   1.134
  267    H    CYS  38           HN       CYS  38  -0.480  -2.442  -1.657
  268    HA   CYS  38           HA       CYS  38  -0.667  -0.210  -3.562
  269   1HB   CYS  38           HB2      CYS  38   0.870  -2.800  -3.517
  270   2HB   CYS  38           HB1      CYS  38   0.739  -1.870  -5.002
  271    H    ASN  39           HN       ASN  39  -1.833  -3.559  -3.343
  272    HA   ASN  39           HA       ASN  39  -2.892  -3.780  -5.980
  273   1HB   ASN  39           HB2      ASN  39  -3.660  -4.991  -3.319
  274   2HB   ASN  39           HB1      ASN  39  -4.623  -5.311  -4.759
  275   1HD2  ASN  39          HD22      ASN  39  -1.715  -7.779  -4.320
  276   2HD2  ASN  39          HD21      ASN  39  -2.797  -7.157  -3.170
  277    H    ALA  40           HN       ALA  40  -3.997  -2.140  -3.104
  278    HA   ALA  40           HA       ALA  40  -6.658  -1.566  -4.152
  279   1HB   ALA  40           HB2      ALA  40  -6.038  -1.694  -1.683
  280   2HB   ALA  40           HB1      ALA  40  -5.200  -0.157  -1.898
  281   3HB   ALA  40           HB3      ALA  40  -6.943  -0.254  -2.151
  282    H    VAL  41           HN       VAL  41  -3.589   0.154  -3.767
  283    HA   VAL  41           HA       VAL  41  -4.361   2.707  -4.696
  284    HB   VAL  41           HB       VAL  41  -1.758   1.198  -5.046
  285   1HG1  VAL  41          HG13      VAL  41  -2.434   4.119  -5.494
  286   2HG1  VAL  41          HG12      VAL  41  -0.794   3.474  -5.432
  287   3HG1  VAL  41          HG11      VAL  41  -1.895   2.962  -6.711
  288   1HG2  VAL  41          HG21      VAL  41  -2.980   2.184  -2.756
  289   2HG2  VAL  41          HG23      VAL  41  -1.257   1.852  -2.936
  290   3HG2  VAL  41          HG22      VAL  41  -1.875   3.482  -3.211
  291    H    VAL  42           HN       VAL  42  -3.458  -0.204  -6.488
  292    HA   VAL  42           HA       VAL  42  -3.632   1.176  -9.052
  293    HB   VAL  42           HB       VAL  42  -1.927  -0.522  -8.749
  294   1HG1  VAL  42          HG13      VAL  42  -4.197  -2.019  -7.606
  295   2HG1  VAL  42          HG12      VAL  42  -3.119  -2.969  -8.628
  296   3HG1  VAL  42          HG11      VAL  42  -2.478  -2.113  -7.226
  297   1HG2  VAL  42          HG23      VAL  42  -3.642  -0.377 -10.853
  298   2HG2  VAL  42          HG22      VAL  42  -2.208  -1.405 -10.816
  299   3HG2  VAL  42          HG21      VAL  42  -3.789  -2.078 -10.415
  300    H    GLU  43           HN       GLU  43  -5.686  -0.786  -7.001
  301    HA   GLU  43           HA       GLU  43  -7.594  -1.233  -9.222
  302   1HB   GLU  43           HB2      GLU  43  -6.986  -2.799  -7.065
  303   2HB   GLU  43           HB1      GLU  43  -8.400  -1.946  -6.470
  304   1HG   GLU  43           HG2      GLU  43  -9.036  -2.645  -9.112
  305   2HG   GLU  43           HG1      GLU  43  -8.256  -4.073  -8.428
  306    H    SER  44           HN       SER  44  -6.832   1.374  -7.555
  307    HA   SER  44           HA       SER  44  -9.680   2.257  -7.324
  308   1HB   SER  44           HB2      SER  44  -9.180   3.476  -5.306
  309   2HB   SER  44           HB1      SER  44  -8.589   1.833  -5.075
  310    HG   SER  44           HG       SER  44  -6.536   2.774  -5.967
  311    H    ASN  45           HN       ASN  45  -7.097   2.607  -9.158
  312    HA   ASN  45           HA       ASN  45  -6.554   4.319 -10.694
  313   1HB   ASN  45           HB2      ASN  45  -9.057   5.087  -9.804
  314   2HB   ASN  45           HB1      ASN  45  -8.056   6.474  -9.380
  315   1HD2  ASN  45          HD22      ASN  45  -9.128   6.006 -13.192
  316   2HD2  ASN  45          HD21      ASN  45  -9.876   5.211 -11.893
  317    H    GLY  46           HN       GLY  46  -5.954   4.206  -7.442
  318   1HA   GLY  46           HA2      GLY  46  -3.953   4.995  -6.396
  319   2HA   GLY  46           HA1      GLY  46  -3.750   6.154  -7.710
  320    H    THR  47           HN       THR  47  -6.928   6.096  -6.535
  321    HA   THR  47           HA       THR  47  -6.598   8.767  -5.374
  322    HB   THR  47           HB       THR  47  -8.578   8.344  -6.711
  323    HG1  THR  47           HG1      THR  47  -8.705   9.584  -4.682
  324   1HG2  THR  47          HG22      THR  47  -8.465   5.807  -5.499
  325   2HG2  THR  47          HG21      THR  47  -9.974   6.531  -4.942
  326   3HG2  THR  47          HG23      THR  47  -9.656   6.372  -6.670
  327    H    LEU  48           HN       LEU  48  -6.134   5.705  -4.194
  328    HA   LEU  48           HA       LEU  48  -7.332   6.059  -1.555
  329   1HB   LEU  48           HB2      LEU  48  -7.213   3.802  -2.049
  330   2HB   LEU  48           HB1      LEU  48  -5.725   3.981  -2.973
  331    HG   LEU  48           HG       LEU  48  -4.432   4.224  -0.912
  332   1HD1  LEU  48          HD13      LEU  48  -7.107   4.646   0.189
  333   2HD1  LEU  48          HD12      LEU  48  -6.149   3.511   1.140
  334   3HD1  LEU  48          HD11      LEU  48  -5.541   5.136   0.831
  335   1HD2  LEU  48          HD21      LEU  48  -5.704   1.904  -1.785
  336   2HD2  LEU  48          HD23      LEU  48  -4.347   1.976  -0.662
  337   3HD2  LEU  48          HD22      LEU  48  -5.999   1.912  -0.047
  338    H    THR  49           HN       THR  49  -4.018   5.689  -2.667
  339    HA   THR  49           HA       THR  49  -1.988   6.432  -1.865
  340    HB   THR  49           HB       THR  49  -2.021   8.802  -1.055
  341    HG1  THR  49           HG1      THR  49  -4.377   9.567  -1.739
  342   1HG2  THR  49          HG21      THR  49  -3.469   8.153  -3.623
  343   2HG2  THR  49          HG23      THR  49  -2.799   9.738  -3.235
  344   3HG2  THR  49          HG22      THR  49  -1.729   8.347  -3.414
  345    H    LEU  50           HN       LEU  50  -0.927   7.308   0.251
  346    HA   LEU  50           HA       LEU  50  -2.254   5.940   2.509
  347   1HB   LEU  50           HB2      LEU  50  -0.326   4.734   2.193
  348   2HB   LEU  50           HB1      LEU  50   0.479   6.057   1.368
  349    HG   LEU  50           HG       LEU  50   0.212   6.845   4.079
  350   1HD1  LEU  50          HD13      LEU  50   0.646   3.961   3.623
  351   2HD1  LEU  50          HD12      LEU  50   1.730   4.743   4.773
  352   3HD1  LEU  50          HD11      LEU  50  -0.015   4.789   5.032
  353   1HD2  LEU  50          HD21      LEU  50   2.093   6.884   2.082
  354   2HD2  LEU  50          HD23      LEU  50   2.413   7.331   3.758
  355   3HD2  LEU  50          HD22      LEU  50   2.775   5.699   3.197
  356    H    SER  51           HN       SER  51  -1.844   6.869   4.654
  357    HA   SER  51           HA       SER  51  -1.627   9.839   4.521
  358   1HB   SER  51           HB2      SER  51  -3.583   8.129   5.750
  359   2HB   SER  51           HB1      SER  51  -2.706   8.921   6.999
  360    HG   SER  51           HG       SER  51  -4.417   9.951   5.124
  361    H    HIS  52           HN       HIS  52  -0.392   6.887   5.827
  362    HA   HIS  52           HA       HIS  52   2.030   8.104   6.751
  363   1HB   HIS  52           HB2      HIS  52   1.742   7.819   9.175
  364   2HB   HIS  52           HB1      HIS  52   0.537   8.944   8.549
  365    HD1  HIS  52           HD1      HIS  52   0.629   6.416  10.906
  366    HD2  HIS  52           HD2      HIS  52  -1.833   6.994   7.586
  367    HE1  HIS  52           HE1      HIS  52  -1.461   5.044  11.310
  368    H    PHE  53           HN       PHE  53   3.559   6.486   7.299
  369    HA   PHE  53           HA       PHE  53   2.881   3.806   6.415
  370   1HB   PHE  53           HB2      PHE  53   5.382   4.927   7.713
  371   2HB   PHE  53           HB1      PHE  53   5.239   3.296   7.060
  372    HD1  PHE  53           HD1      PHE  53   4.994   2.912   4.647
  373    HD2  PHE  53           HD2      PHE  53   5.464   6.869   6.250
  374    HE1  PHE  53           HE1      PHE  53   5.495   3.772   2.376
  375    HE2  PHE  53           HE2      PHE  53   5.965   7.731   3.978
  376    HZ   PHE  53           HZ       PHE  53   5.980   6.181   2.041
  377    H    GLY  54           HN       GLY  54   1.797   2.421   7.714
  378   1HA   GLY  54           HA2      GLY  54   2.425   1.151   9.939
  379   2HA   GLY  54           HA1      GLY  54   2.000   2.711  10.634
  380    H    LYS  55           HN       LYS  55   0.424   1.007  11.584
  381    HA   LYS  55           HA       LYS  55  -1.873   0.396   9.887
  382   1HB   LYS  55           HB2      LYS  55  -2.554   0.031  12.639
  383   2HB   LYS  55           HB1      LYS  55  -2.281  -1.194  11.413
  384   1HG   LYS  55           HG2      LYS  55  -0.804  -1.629  13.247
  385   2HG   LYS  55           HG1      LYS  55   0.188  -1.085  11.929
  386   1HD   LYS  55           HD2      LYS  55   1.034   0.354  13.504
  387   2HD   LYS  55           HD1      LYS  55  -0.439   1.279  13.213
  388   1HE   LYS  55           HE2      LYS  55  -1.479  -0.365  14.985
  389   2HE   LYS  55           HE1      LYS  55   0.202  -0.594  15.469
  390   1HZ   LYS  55           HZ3      LYS  55  -0.382   2.155  15.069
  391   2HZ   LYS  55           HZ2      LYS  55  -1.459   1.474  16.194
  392   3HZ   LYS  55           HZ1      LYS  55   0.218   1.376  16.451
  393    H    CYS  56           HN       CYS  56  -3.164   2.067   9.367
  394    HA   CYS  56           HA       CYS  56  -3.384   4.547  10.641
  395   1HB   CYS  56           HB2      CYS  56  -4.642   3.257   8.499
  396   2HB   CYS  56           HB1      CYS  56  -5.959   3.672   9.598
   
  No H/Q in entry =         396
  Start of MODEL          16
 Raw file had  401 H/Q atoms
  Start of MODEL   16
    1   1H    LEU   1           HT3      LEU   1   9.474  18.442  -1.057
    2   2H    LEU   1           HT2      LEU   1   8.963  18.395  -2.677
    3   3H    LEU   1           HT1      LEU   1   8.800  19.824  -1.772
    4    HA   LEU   1           HA       LEU   1   6.703  19.154  -1.457
    5   1HB   LEU   1           HB2      LEU   1   6.192  16.603  -1.570
    6   2HB   LEU   1           HB1      LEU   1   6.614  17.437  -3.066
    7    HG   LEU   1           HG       LEU   1   9.045  16.614  -1.817
    8   1HD1  LEU   1          HD13      LEU   1   6.810  14.621  -1.733
    9   2HD1  LEU   1          HD12      LEU   1   8.423  14.056  -2.168
   10   3HD1  LEU   1          HD11      LEU   1   8.154  14.842  -0.612
   11   1HD2  LEU   1          HD23      LEU   1   7.663  16.488  -4.352
   12   2HD2  LEU   1          HD22      LEU   1   9.397  16.425  -4.035
   13   3HD2  LEU   1          HD21      LEU   1   8.443  14.942  -4.018
   14    H    ALA   2           HN       ALA   2   5.469  17.782   0.259
   15    HA   ALA   2           HA       ALA   2   7.242  17.064   2.539
   16   1HB   ALA   2           HB1      ALA   2   5.956  19.500   2.443
   17   2HB   ALA   2           HB3      ALA   2   4.800  18.503   3.327
   18   3HB   ALA   2           HB2      ALA   2   6.450  18.680   3.924
   19    H    ALA   3           HN       ALA   3   6.189  15.096   1.123
   20    HA   ALA   3           HA       ALA   3   4.079  14.022   2.896
   21   1HB   ALA   3           HB1      ALA   3   3.239  15.172   0.601
   22   2HB   ALA   3           HB3      ALA   3   3.628  13.564  -0.011
   23   3HB   ALA   3           HB2      ALA   3   2.455  13.752   1.293
   24    H    VAL   4           HN       VAL   4   3.748  11.595   2.308
   25    HA   VAL   4           HA       VAL   4   6.137  10.429   0.996
   26    HB   VAL   4           HB       VAL   4   6.309   8.844   3.033
   27   1HG1  VAL   4          HG11      VAL   4   7.781  10.920   2.298
   28   2HG1  VAL   4          HG13      VAL   4   7.096  11.646   3.751
   29   3HG1  VAL   4          HG12      VAL   4   8.036  10.157   3.868
   30   1HG2  VAL   4          HG22      VAL   4   4.818  11.197   4.237
   31   2HG2  VAL   4          HG21      VAL   4   4.229   9.538   4.132
   32   3HG2  VAL   4          HG23      VAL   4   5.605   9.921   5.166
   33    H    SER   5           HN       SER   5   4.914   9.411  -0.580
   34    HA   SER   5           HA       SER   5   2.761   7.567   0.366
   35   1HB   SER   5           HB2      SER   5   1.903   9.137  -1.257
   36   2HB   SER   5           HB1      SER   5   3.266   8.851  -2.334
   37    HG   SER   5           HG       SER   5   1.370   7.681  -2.932
   38    H    VAL   6           HN       VAL   6   2.638   5.536  -1.152
   39    HA   VAL   6           HA       VAL   6   5.414   4.480  -1.351
   40    HB   VAL   6           HB       VAL   6   3.521   3.345   0.015
   41   1HG1  VAL   6          HG11      VAL   6   2.186   3.482  -2.384
   42   2HG1  VAL   6          HG13      VAL   6   2.777   1.820  -2.377
   43   3HG1  VAL   6          HG12      VAL   6   1.766   2.401  -1.056
   44   1HG2  VAL   6          HG21      VAL   6   5.815   2.411  -1.063
   45   2HG2  VAL   6          HG23      VAL   6   4.725   1.404  -0.110
   46   3HG2  VAL   6          HG22      VAL   6   4.655   1.357  -1.871
   47    H    ASP   7           HN       ASP   7   5.296   2.546  -3.177
   48    HA   ASP   7           HA       ASP   7   4.275   3.873  -5.658
   49   1HB   ASP   7           HB2      ASP   7   6.801   3.894  -5.367
   50   2HB   ASP   7           HB1      ASP   7   6.749   2.134  -5.484
   51    H    CYS   8           HN       CYS   8   3.056   2.571  -6.998
   52    HA   CYS   8           HA       CYS   8   3.201  -0.367  -6.692
   53   1HB   CYS   8           HB2      CYS   8   0.531   1.027  -6.448
   54   2HB   CYS   8           HB1      CYS   8   0.910  -0.664  -6.122
   55    H    SER   9           HN       SER   9   4.077   0.819  -8.923
   56    HA   SER   9           HA       SER   9   1.847   1.074 -10.846
   57   1HB   SER   9           HB2      SER   9   3.593   2.678 -11.166
   58   2HB   SER   9           HB1      SER   9   4.842   1.440 -11.074
   59    HG   SER   9           HG       SER   9   4.562   1.736 -13.208
   60    H    GLU  10           HN       GLU  10   2.874  -1.520  -9.475
   61    HA   GLU  10           HA       GLU  10   3.069  -3.090 -12.017
   62   1HB   GLU  10           HB2      GLU  10   4.431  -3.747  -9.387
   63   2HB   GLU  10           HB1      GLU  10   4.567  -4.658 -10.891
   64   1HG   GLU  10           HG2      GLU  10   6.496  -3.343 -10.958
   65   2HG   GLU  10           HG1      GLU  10   5.361  -2.364 -11.889
   66    H    TYR  11           HN       TYR  11   1.233  -2.439  -9.314
   67    HA   TYR  11           HA       TYR  11   0.303  -5.145  -8.830
   68   1HB   TYR  11           HB2      TYR  11  -0.554  -2.433  -7.788
   69   2HB   TYR  11           HB1      TYR  11  -1.190  -3.964  -7.195
   70    HD1  TYR  11           HD2      TYR  11   1.847  -1.878  -7.497
   71    HD2  TYR  11           HD1      TYR  11   0.146  -5.432  -5.795
   72    HE1  TYR  11           HE2      TYR  11   3.833  -2.131  -6.037
   73    HE2  TYR  11           HE1      TYR  11   2.133  -5.687  -4.334
   74    HH   TYR  11           HH       TYR  11   4.997  -4.047  -4.838
   75    HA   PRO  12           HA       PRO  12  -1.895  -5.514  -7.768
   76   1HB   PRO  12           HB2      PRO  12  -3.316  -7.738  -8.551
   77   2HB   PRO  12           HB1      PRO  12  -4.073  -6.223  -8.028
   78   1HG   PRO  12           HG2      PRO  12  -3.720  -7.290 -10.810
   79   2HG   PRO  12           HG1      PRO  12  -5.026  -6.290 -10.148
   80   1HD   PRO  12           HD2      PRO  12  -2.930  -5.298 -11.699
   81   2HD   PRO  12           HD1      PRO  12  -3.925  -4.342 -10.626
   82    H    LYS  13           HN       LYS  13  -0.374  -6.907  -7.036
   83    HA   LYS  13           HA       LYS  13   1.382  -8.253  -8.973
   84   1HB   LYS  13           HB2      LYS  13   1.695  -7.101  -6.426
   85   2HB   LYS  13           HB1      LYS  13   1.921  -8.831  -6.178
   86   1HG   LYS  13           HG2      LYS  13   3.705  -8.933  -7.741
   87   2HG   LYS  13           HG1      LYS  13   3.303  -7.357  -8.422
   88   1HD   LYS  13           HD2      LYS  13   3.701  -6.764  -5.757
   89   2HD   LYS  13           HD1      LYS  13   4.911  -8.013  -6.052
   90   1HE   LYS  13           HE2      LYS  13   4.979  -6.312  -8.307
   91   2HE   LYS  13           HE1      LYS  13   4.921  -5.254  -6.898
   92   1HZ   LYS  13           HZ2      LYS  13   6.667  -7.211  -6.177
   93   2HZ   LYS  13           HZ1      LYS  13   7.036  -6.951  -7.815
   94   3HZ   LYS  13           HZ3      LYS  13   7.087  -5.657  -6.720
   95    HA   PRO  14           HA       PRO  14  -0.580 -12.178  -8.445
   96   1HB   PRO  14           HB2      PRO  14   1.453 -13.728  -9.450
   97   2HB   PRO  14           HB1      PRO  14   0.366 -12.761 -10.461
   98   1HG   PRO  14           HG2      PRO  14   3.207 -12.232  -9.717
   99   2HG   PRO  14           HG1      PRO  14   2.313 -11.725 -11.159
  100   1HD   PRO  14           HD2      PRO  14   2.915 -10.089  -8.961
  101   2HD   PRO  14           HD1      PRO  14   1.709  -9.740 -10.187
  102    H    ALA  15           HN       ALA  15   1.524 -11.015  -6.366
  103    HA   ALA  15           HA       ALA  15   1.353 -13.191  -4.512
  104   1HB   ALA  15           HB3      ALA  15   3.145 -14.007  -6.152
  105   2HB   ALA  15           HB2      ALA  15   4.159 -12.705  -5.529
  106   3HB   ALA  15           HB1      ALA  15   3.601 -13.984  -4.448
  107    H    CYS  16           HN       CYS  16   1.230 -12.096  -2.613
  108    HA   CYS  16           HA       CYS  16   2.486  -9.424  -2.412
  109   1HB   CYS  16           HB2      CYS  16   0.627 -10.919  -0.533
  110   2HB   CYS  16           HB1      CYS  16   1.210  -9.276  -0.275
  111    H    THR  17           HN       THR  17   4.276  -9.015  -1.150
  112    HA   THR  17           HA       THR  17   5.975 -11.125  -0.305
  113    HB   THR  17           HB       THR  17   6.999  -9.233   1.173
  114    HG1  THR  17           HG1      THR  17   6.001  -7.397   1.122
  115   1HG2  THR  17          HG23      THR  17   7.213  -9.925  -1.527
  116   2HG2  THR  17          HG22      THR  17   7.072  -8.167  -1.529
  117   3HG2  THR  17          HG21      THR  17   8.353  -8.948  -0.601
  118    H    LEU  18           HN       LEU  18   6.738 -10.897   2.254
  119    HA   LEU  18           HA       LEU  18   4.231 -11.495   3.765
  120   1HB   LEU  18           HB2      LEU  18   5.724 -12.865   5.252
  121   2HB   LEU  18           HB1      LEU  18   5.668 -13.449   3.588
  122    HG   LEU  18           HG       LEU  18   7.734 -11.482   3.763
  123   1HD1  LEU  18          HD13      LEU  18   7.546 -12.209   6.246
  124   2HD1  LEU  18          HD12      LEU  18   8.206 -13.749   5.697
  125   3HD1  LEU  18          HD11      LEU  18   9.140 -12.265   5.493
  126   1HD2  LEU  18          HD21      LEU  18   7.487 -13.475   2.217
  127   2HD2  LEU  18          HD23      LEU  18   9.092 -13.290   2.922
  128   3HD2  LEU  18          HD22      LEU  18   7.979 -14.497   3.566
  129    H    GLU  19           HN       GLU  19   7.069  -9.503   3.642
  130    HA   GLU  19           HA       GLU  19   7.492  -8.700   6.263
  131   1HB   GLU  19           HB2      GLU  19   7.262  -6.924   3.812
  132   2HB   GLU  19           HB1      GLU  19   7.978  -6.425   5.345
  133   1HG   GLU  19           HG2      GLU  19   9.920  -7.450   4.852
  134   2HG   GLU  19           HG1      GLU  19   9.089  -8.957   4.470
  135    H    TYR  20           HN       TYR  20   6.205  -7.796   7.830
  136    HA   TYR  20           HA       TYR  20   3.439  -7.104   7.077
  137   1HB   TYR  20           HB2      TYR  20   3.917  -8.509   9.094
  138   2HB   TYR  20           HB1      TYR  20   4.703  -7.110   9.830
  139    HD1  TYR  20           HD2      TYR  20   1.655  -7.221   7.668
  140    HD2  TYR  20           HD1      TYR  20   3.250  -6.481  11.588
  141    HE1  TYR  20           HE2      TYR  20  -0.547  -6.351   8.398
  142    HE2  TYR  20           HE1      TYR  20   1.044  -5.613  12.320
  143    HH   TYR  20           HH       TYR  20  -1.007  -5.026  11.673
  144    H    ARG  21           HN       ARG  21   3.726  -5.118   5.993
  145    HA   ARG  21           HA       ARG  21   4.563  -2.855   7.765
  146   1HB   ARG  21           HB2      ARG  21   4.577  -2.600   4.773
  147   2HB   ARG  21           HB1      ARG  21   5.569  -1.765   5.966
  148   1HG   ARG  21           HG2      ARG  21   6.102  -4.588   6.135
  149   2HG   ARG  21           HG1      ARG  21   6.248  -4.077   4.455
  150   1HD   ARG  21           HD2      ARG  21   7.752  -3.073   6.865
  151   2HD   ARG  21           HD1      ARG  21   8.395  -3.690   5.343
  152    HE   ARG  21           HE       ARG  21   7.024  -1.450   4.544
  153   1HH1  ARG  21          HH21      ARG  21   7.538  -0.591   7.447
  154   2HH1  ARG  21          HH22      ARG  21   8.997   0.323   7.261
  155   1HH2  ARG  21          HH11      ARG  21   9.688  -0.927   4.100
  156   2HH2  ARG  21          HH12      ARG  21  10.217   0.130   5.366
  157    HA   PRO  22           HA       PRO  22   0.104  -2.470   6.965
  158   1HB   PRO  22           HB2      PRO  22  -0.347  -1.006   9.273
  159   2HB   PRO  22           HB1      PRO  22  -0.362  -2.787   9.188
  160   1HG   PRO  22           HG2      PRO  22   1.769  -0.959  10.241
  161   2HG   PRO  22           HG1      PRO  22   1.340  -2.599  10.759
  162   1HD   PRO  22           HD2      PRO  22   3.534  -1.988   9.149
  163   2HD   PRO  22           HD1      PRO  22   2.758  -3.586   9.225
  164    H    LEU  23           HN       LEU  23  -0.028  -1.029   5.281
  165    HA   LEU  23           HA       LEU  23   0.921   1.760   5.745
  166   1HB   LEU  23           HB2      LEU  23  -0.105   0.579   3.156
  167   2HB   LEU  23           HB1      LEU  23   0.917   2.000   3.371
  168    HG   LEU  23           HG       LEU  23   2.087  -0.380   4.588
  169   1HD1  LEU  23          HD12      LEU  23   0.848  -1.442   2.697
  170   2HD1  LEU  23          HD11      LEU  23   1.702  -0.373   1.585
  171   3HD1  LEU  23          HD13      LEU  23   2.598  -1.563   2.527
  172   1HD2  LEU  23          HD23      LEU  23   2.824   1.954   2.948
  173   2HD2  LEU  23          HD22      LEU  23   3.710   1.175   4.260
  174   3HD2  LEU  23          HD21      LEU  23   3.782   0.509   2.627
  175    H    CYS  24           HN       CYS  24  -0.575   3.431   5.940
  176    HA   CYS  24           HA       CYS  24  -3.416   2.563   5.818
  177   1HB   CYS  24           HB2      CYS  24  -1.968   4.712   7.336
  178   2HB   CYS  24           HB1      CYS  24  -3.712   4.786   7.130
  179    H    GLY  25           HN       GLY  25  -4.627   3.182   4.210
  180   1HA   GLY  25           HA2      GLY  25  -4.014   4.592   1.919
  181   2HA   GLY  25           HA1      GLY  25  -5.570   4.495   2.589
  182    H    SER  26           HN       SER  26  -5.225   6.827   1.368
  183    HA   SER  26           HA       SER  26  -4.213   8.829   3.284
  184   1HB   SER  26           HB2      SER  26  -4.259   9.084   0.722
  185   2HB   SER  26           HB1      SER  26  -5.996   9.330   0.878
  186    HG   SER  26           HG       SER  26  -5.135  11.330   1.018
  187    H    ASP  27           HN       ASP  27  -6.853   6.850   3.235
  188    HA   ASP  27           HA       ASP  27  -8.618   8.864   4.558
  189   1HB   ASP  27           HB2      ASP  27 -10.506   7.492   3.885
  190   2HB   ASP  27           HB1      ASP  27  -9.516   7.804   2.458
  191    H    ASN  28           HN       ASN  28  -6.495   6.453   5.244
  192    HA   ASN  28           HA       ASN  28  -6.063   5.554   7.403
  193   1HB   ASN  28           HB2      ASN  28  -8.999   5.810   8.057
  194   2HB   ASN  28           HB1      ASN  28  -7.639   5.651   9.170
  195   1HD2  ASN  28          HD22      ASN  28  -6.671   9.142   7.821
  196   2HD2  ASN  28          HD21      ASN  28  -6.065   7.619   7.378
  197    H    LYS  29           HN       LYS  29  -6.663   4.083   5.005
  198    HA   LYS  29           HA       LYS  29  -8.265   1.778   6.026
  199   1HB   LYS  29           HB2      LYS  29  -8.192   2.950   3.523
  200   2HB   LYS  29           HB1      LYS  29  -7.125   1.560   3.322
  201   1HG   LYS  29           HG2      LYS  29  -9.724   1.153   4.746
  202   2HG   LYS  29           HG1      LYS  29  -9.752   1.320   2.993
  203   1HD   LYS  29           HD2      LYS  29  -9.400  -0.948   3.103
  204   2HD   LYS  29           HD1      LYS  29  -7.719  -0.422   3.198
  205   1HE   LYS  29           HE2      LYS  29  -7.608  -1.560   5.147
  206   2HE   LYS  29           HE1      LYS  29  -8.602  -0.274   5.834
  207   1HZ   LYS  29           HZ1      LYS  29 -10.124  -2.211   4.364
  208   2HZ   LYS  29           HZ3      LYS  29  -9.290  -2.896   5.672
  209   3HZ   LYS  29           HZ2      LYS  29 -10.365  -1.606   5.933
  210    H    THR  30           HN       THR  30  -7.013   0.319   7.152
  211    HA   THR  30           HA       THR  30  -4.129   0.224   6.719
  212    HB   THR  30           HB       THR  30  -5.870  -1.555   8.440
  213    HG1  THR  30           HG1      THR  30  -5.872   0.065   9.744
  214   1HG2  THR  30          HG22      THR  30  -3.034  -1.539   7.756
  215   2HG2  THR  30          HG21      THR  30  -3.291  -1.373   9.493
  216   3HG2  THR  30          HG23      THR  30  -3.965  -2.755   8.630
  217    H    TYR  31           HN       TYR  31  -3.053  -1.083   5.401
  218    HA   TYR  31           HA       TYR  31  -4.390  -3.565   4.406
  219   1HB   TYR  31           HB2      TYR  31  -2.803  -1.474   2.974
  220   2HB   TYR  31           HB1      TYR  31  -2.599  -3.149   2.466
  221    HD1  TYR  31           HD2      TYR  31  -4.838  -4.520   2.181
  222    HD2  TYR  31           HD1      TYR  31  -4.617  -0.237   2.065
  223    HE1  TYR  31           HE2      TYR  31  -6.986  -4.444   0.955
  224    HE2  TYR  31           HE1      TYR  31  -6.765  -0.159   0.841
  225    HH   TYR  31           HH       TYR  31  -8.087  -2.693  -0.707
  226    H    GLY  32           HN       GLY  32  -3.273  -5.405   4.847
  227   1HA   GLY  32           HA2      GLY  32  -1.451  -5.640   6.818
  228   2HA   GLY  32           HA1      GLY  32  -1.456  -6.788   5.501
  229    H    ASN  33           HN       ASN  33  -0.349  -5.459   3.395
  230    HA   ASN  33           HA       ASN  33   2.066  -4.103   4.433
  231   1HB   ASN  33           HB2      ASN  33   3.593  -5.602   3.217
  232   2HB   ASN  33           HB1      ASN  33   2.681  -6.453   4.434
  233   1HD2  ASN  33          HD22      ASN  33   2.462  -8.581   1.447
  234   2HD2  ASN  33          HD21      ASN  33   3.639  -8.119   2.576
  235    H    LYS  34           HN       LYS  34   3.566  -4.189   2.099
  236    HA   LYS  34           HA       LYS  34   2.459  -2.013   0.667
  237   1HB   LYS  34           HB2      LYS  34   4.473  -2.067  -0.519
  238   2HB   LYS  34           HB1      LYS  34   4.907  -2.766   1.025
  239   1HG   LYS  34           HG2      LYS  34   4.466  -5.046  -0.003
  240   2HG   LYS  34           HG1      LYS  34   4.349  -4.229  -1.564
  241   1HD   LYS  34           HD2      LYS  34   6.731  -3.602   0.115
  242   2HD   LYS  34           HD1      LYS  34   6.677  -5.195  -0.643
  243   1HE   LYS  34           HE2      LYS  34   7.679  -3.949  -2.332
  244   2HE   LYS  34           HE1      LYS  34   5.979  -3.809  -2.783
  245   1HZ   LYS  34           HZ3      LYS  34   6.415  -1.798  -0.967
  246   2HZ   LYS  34           HZ2      LYS  34   7.795  -1.783  -1.958
  247   3HZ   LYS  34           HZ1      LYS  34   6.250  -1.627  -2.647
  248    H    CYS  35           HN       CYS  35   2.346  -5.494   0.033
  249    HA   CYS  35           HA       CYS  35   1.437  -5.099  -2.711
  250   1HB   CYS  35           HB2      CYS  35   2.606  -7.159  -2.173
  251   2HB   CYS  35           HB1      CYS  35   1.430  -7.540  -0.916
  252    H    ASN  36           HN       ASN  36  -0.069  -5.646   0.437
  253    HA   ASN  36           HA       ASN  36  -2.739  -5.964  -0.687
  254   1HB   ASN  36           HB2      ASN  36  -1.579  -5.703   2.060
  255   2HB   ASN  36           HB1      ASN  36  -3.301  -5.426   1.839
  256   1HD2  ASN  36          HD22      ASN  36  -1.801  -9.194   1.560
  257   2HD2  ASN  36          HD21      ASN  36  -0.782  -7.853   1.768
  258    H    PHE  37           HN       PHE  37  -0.694  -3.346   0.328
  259    HA   PHE  37           HA       PHE  37  -2.885  -1.368   0.414
  260   1HB   PHE  37           HB2      PHE  37  -0.773  -1.274   1.803
  261   2HB   PHE  37           HB1      PHE  37   0.099  -0.804   0.443
  262    HD1  PHE  37           HD1      PHE  37  -2.899   0.270   2.372
  263    HD2  PHE  37           HD2      PHE  37   0.203   1.250  -0.384
  264    HE1  PHE  37           HE1      PHE  37  -3.653   2.630   2.386
  265    HE2  PHE  37           HE2      PHE  37  -0.510   3.614  -0.380
  266    HZ   PHE  37           HZ       PHE  37  -2.441   4.319   1.019
  267    H    CYS  38           HN       CYS  38  -0.381  -2.501  -1.582
  268    HA   CYS  38           HA       CYS  38  -0.464  -0.318  -3.489
  269   1HB   CYS  38           HB2      CYS  38   0.811  -3.028  -3.447
  270   2HB   CYS  38           HB1      CYS  38   0.652  -2.184  -4.979
  271    H    ASN  39           HN       ASN  39  -1.817  -3.648  -3.578
  272    HA   ASN  39           HA       ASN  39  -3.043  -3.421  -6.115
  273   1HB   ASN  39           HB2      ASN  39  -4.184  -4.768  -3.635
  274   2HB   ASN  39           HB1      ASN  39  -4.695  -5.070  -5.295
  275   1HD2  ASN  39          HD22      ASN  39  -2.013  -7.536  -4.133
  276   2HD2  ASN  39          HD21      ASN  39  -3.413  -6.981  -3.352
  277    H    ALA  40           HN       ALA  40  -4.473  -2.691  -2.920
  278    HA   ALA  40           HA       ALA  40  -6.882  -1.535  -3.781
  279   1HB   ALA  40           HB1      ALA  40  -6.022  -1.977  -1.382
  280   2HB   ALA  40           HB3      ALA  40  -5.264  -0.389  -1.500
  281   3HB   ALA  40           HB2      ALA  40  -7.016  -0.541  -1.632
  282    H    VAL  41           HN       VAL  41  -3.628  -0.212  -3.825
  283    HA   VAL  41           HA       VAL  41  -4.452   2.535  -4.321
  284    HB   VAL  41           HB       VAL  41  -1.829   1.055  -4.609
  285   1HG1  VAL  41          HG11      VAL  41  -1.939   2.838  -6.315
  286   2HG1  VAL  41          HG13      VAL  41  -2.386   4.005  -5.071
  287   3HG1  VAL  41          HG12      VAL  41  -0.790   3.254  -5.044
  288   1HG2  VAL  41          HG22      VAL  41  -3.188   2.188  -2.425
  289   2HG2  VAL  41          HG21      VAL  41  -1.498   1.685  -2.469
  290   3HG2  VAL  41          HG23      VAL  41  -1.931   3.355  -2.835
  291    H    VAL  42           HN       VAL  42  -3.451  -0.187  -6.370
  292    HA   VAL  42           HA       VAL  42  -3.590   1.457  -8.779
  293    HB   VAL  42           HB       VAL  42  -1.856  -0.154  -8.793
  294   1HG1  VAL  42          HG12      VAL  42  -3.944  -1.968  -7.644
  295   2HG1  VAL  42          HG11      VAL  42  -2.579  -2.662  -8.518
  296   3HG1  VAL  42          HG13      VAL  42  -2.298  -1.668  -7.090
  297   1HG2  VAL  42          HG22      VAL  42  -3.554  -0.073 -10.799
  298   2HG2  VAL  42          HG21      VAL  42  -2.290  -1.301 -10.759
  299   3HG2  VAL  42          HG23      VAL  42  -3.933  -1.714 -10.274
  300    H    GLU  43           HN       GLU  43  -5.840  -0.279  -6.916
  301    HA   GLU  43           HA       GLU  43  -7.561  -0.962  -9.201
  302   1HB   GLU  43           HB2      GLU  43  -9.051  -1.722  -7.271
  303   2HB   GLU  43           HB1      GLU  43  -7.582  -2.622  -7.460
  304   1HG   GLU  43           HG2      GLU  43  -6.920  -2.015  -5.434
  305   2HG   GLU  43           HG1      GLU  43  -7.206  -0.311  -5.787
  306    H    SER  44           HN       SER  44  -7.000   1.533  -6.904
  307    HA   SER  44           HA       SER  44  -9.701   2.709  -7.388
  308   1HB   SER  44           HB2      SER  44  -9.216   4.131  -5.445
  309   2HB   SER  44           HB1      SER  44  -8.976   2.437  -5.029
  310    HG   SER  44           HG       SER  44  -7.273   4.104  -4.492
  311    H    ASN  45           HN       ASN  45  -7.261   2.756  -9.235
  312    HA   ASN  45           HA       ASN  45  -6.329   4.310 -10.723
  313   1HB   ASN  45           HB2      ASN  45  -8.636   5.860  -9.566
  314   2HB   ASN  45           HB1      ASN  45  -7.477   6.663 -10.623
  315   1HD2  ASN  45          HD22      ASN  45 -10.193   5.225 -12.760
  316   2HD2  ASN  45          HD21      ASN  45 -10.147   6.358 -11.497
  317    H    GLY  46           HN       GLY  46  -5.734   4.165  -7.647
  318   1HA   GLY  46           HA2      GLY  46  -3.925   5.018  -6.413
  319   2HA   GLY  46           HA1      GLY  46  -3.578   6.129  -7.729
  320    H    THR  47           HN       THR  47  -6.811   6.058  -6.521
  321    HA   THR  47           HA       THR  47  -6.522   8.813  -5.517
  322    HB   THR  47           HB       THR  47  -8.947   8.772  -5.295
  323    HG1  THR  47           HG1      THR  47 -10.078   6.898  -5.465
  324   1HG2  THR  47          HG22      THR  47  -7.638   7.771  -7.761
  325   2HG2  THR  47          HG21      THR  47  -9.394   7.620  -7.699
  326   3HG2  THR  47          HG23      THR  47  -8.637   9.203  -7.517
  327    H    LEU  48           HN       LEU  48  -6.194   5.704  -4.308
  328    HA   LEU  48           HA       LEU  48  -7.184   6.168  -1.605
  329   1HB   LEU  48           HB2      LEU  48  -7.257   3.907  -2.153
  330   2HB   LEU  48           HB1      LEU  48  -5.789   3.996  -3.117
  331    HG   LEU  48           HG       LEU  48  -4.407   4.030  -1.131
  332   1HD1  LEU  48          HD13      LEU  48  -6.964   4.758   0.126
  333   2HD1  LEU  48          HD12      LEU  48  -6.014   3.586   1.039
  334   3HD1  LEU  48          HD11      LEU  48  -5.317   5.145   0.612
  335   1HD2  LEU  48          HD22      LEU  48  -6.636   1.984  -0.930
  336   2HD2  LEU  48          HD21      LEU  48  -5.147   1.819  -1.860
  337   3HD2  LEU  48          HD23      LEU  48  -5.087   1.862  -0.097
  338    H    THR  49           HN       THR  49  -3.959   5.233  -2.628
  339    HA   THR  49           HA       THR  49  -1.834   5.940  -1.996
  340    HB   THR  49           HB       THR  49  -1.478   8.202  -2.151
  341    HG1  THR  49           HG1      THR  49  -2.557   9.655  -0.987
  342   1HG2  THR  49          HG22      THR  49  -3.271   7.347  -3.871
  343   2HG2  THR  49          HG21      THR  49  -4.351   8.418  -2.978
  344   3HG2  THR  49          HG23      THR  49  -2.912   9.071  -3.764
  345    H    LEU  50           HN       LEU  50  -0.589   6.761  -0.047
  346    HA   LEU  50           HA       LEU  50  -2.039   5.971   2.429
  347   1HB   LEU  50           HB2      LEU  50  -0.142   4.585   1.909
  348   2HB   LEU  50           HB1      LEU  50   0.869   5.990   1.581
  349    HG   LEU  50           HG       LEU  50  -0.283   6.129   4.233
  350   1HD1  LEU  50          HD13      LEU  50  -0.266   3.679   3.966
  351   2HD1  LEU  50          HD12      LEU  50   1.446   3.754   3.546
  352   3HD1  LEU  50          HD11      LEU  50   0.913   4.215   5.163
  353   1HD2  LEU  50          HD22      LEU  50   2.458   6.128   2.971
  354   2HD2  LEU  50          HD21      LEU  50   1.616   7.465   3.755
  355   3HD2  LEU  50          HD23      LEU  50   2.270   6.144   4.725
  356    H    SER  51           HN       SER  51  -1.774   7.239   4.309
  357    HA   SER  51           HA       SER  51  -0.930  10.044   3.794
  358   1HB   SER  51           HB2      SER  51  -3.266   8.921   5.101
  359   2HB   SER  51           HB1      SER  51  -2.322   9.816   6.242
  360    HG   SER  51           HG       SER  51  -3.339  11.445   5.362
  361    H    HIS  52           HN       HIS  52  -0.552   7.182   5.742
  362    HA   HIS  52           HA       HIS  52   1.968   8.219   6.820
  363   1HB   HIS  52           HB2      HIS  52   1.379   7.888   9.160
  364   2HB   HIS  52           HB1      HIS  52   0.249   9.031   8.438
  365    HD1  HIS  52           HD1      HIS  52   0.181   6.307  10.634
  366    HD2  HIS  52           HD2      HIS  52  -2.122   7.266   7.288
  367    HE1  HIS  52           HE1      HIS  52  -1.975   5.004  10.847
  368    H    PHE  53           HN       PHE  53   3.405   6.544   7.062
  369    HA   PHE  53           HA       PHE  53   2.591   3.882   6.232
  370   1HB   PHE  53           HB2      PHE  53   5.188   5.019   7.285
  371   2HB   PHE  53           HB1      PHE  53   4.994   3.319   6.861
  372    HD1  PHE  53           HD2      PHE  53   4.654   6.780   5.505
  373    HD2  PHE  53           HD1      PHE  53   5.137   2.605   4.608
  374    HE1  PHE  53           HE2      PHE  53   5.035   7.335   3.124
  375    HE2  PHE  53           HE1      PHE  53   5.521   3.164   2.222
  376    HZ   PHE  53           HZ       PHE  53   5.468   5.530   1.478
  377    H    GLY  54           HN       GLY  54   1.554   2.534   7.599
  378   1HA   GLY  54           HA2      GLY  54   2.295   1.233   9.771
  379   2HA   GLY  54           HA1      GLY  54   1.947   2.784  10.498
  380    H    LYS  55           HN       LYS  55   0.335   1.091  11.522
  381    HA   LYS  55           HA       LYS  55  -2.039   0.577   9.983
  382   1HB   LYS  55           HB2      LYS  55  -1.457  -1.041  11.652
  383   2HB   LYS  55           HB1      LYS  55  -1.112   0.218  12.829
  384   1HG   LYS  55           HG2      LYS  55  -3.197   0.443  13.445
  385   2HG   LYS  55           HG1      LYS  55  -3.786   0.378  11.795
  386   1HD   LYS  55           HD2      LYS  55  -4.698  -1.582  12.763
  387   2HD   LYS  55           HD1      LYS  55  -3.259  -2.161  11.923
  388   1HE   LYS  55           HE2      LYS  55  -2.084  -1.626  14.233
  389   2HE   LYS  55           HE1      LYS  55  -3.721  -1.803  14.862
  390   1HZ   LYS  55           HZ1      LYS  55  -2.754  -3.843  13.007
  391   2HZ   LYS  55           HZ3      LYS  55  -2.113  -3.852  14.577
  392   3HZ   LYS  55           HZ2      LYS  55  -3.790  -3.995  14.345
  393    H    CYS  56           HN       CYS  56  -4.040   1.628  10.417
  394    HA   CYS  56           HA       CYS  56  -3.746   4.449  11.067
  395   1HB   CYS  56           HB2      CYS  56  -6.435   3.270  10.581
  396   2HB   CYS  56           HB1      CYS  56  -5.731   4.758   9.958
   
  No H/Q in entry =         396
  Start of MODEL          17
 Raw file had  401 H/Q atoms
  Start of MODEL   17
    1   1H    LEU   1           HT2      LEU   1   7.071  17.478   1.173
    2   2H    LEU   1           HT1      LEU   1   7.748  19.003   0.847
    3   3H    LEU   1           HT3      LEU   1   8.149  17.672  -0.126
    4    HA   LEU   1           HA       LEU   1   9.852  17.189   1.177
    5   1HB   LEU   1           HB2      LEU   1   8.786  19.670   2.450
    6   2HB   LEU   1           HB1      LEU   1   9.996  18.748   3.344
    7    HG   LEU   1           HG       LEU   1  10.935  20.533   1.801
    8   1HD1  LEU   1          HD13      LEU   1  11.712  17.764   2.142
    9   2HD1  LEU   1          HD12      LEU   1  12.257  18.367   0.577
   10   3HD1  LEU   1          HD11      LEU   1  12.732  19.200   2.057
   11   1HD2  LEU   1          HD21      LEU   1   9.947  18.570  -0.295
   12   2HD2  LEU   1          HD23      LEU   1   9.337  20.205  -0.048
   13   3HD2  LEU   1          HD22      LEU   1  10.990  19.956  -0.610
   14    H    ALA   2           HN       ALA   2   7.473  15.680   1.579
   15    HA   ALA   2           HA       ALA   2   7.794  14.971   4.467
   16   1HB   ALA   2           HB3      ALA   2   5.255  14.951   2.809
   17   2HB   ALA   2           HB2      ALA   2   5.392  14.263   4.427
   18   3HB   ALA   2           HB1      ALA   2   5.604  15.997   4.185
   19    H    ALA   3           HN       ALA   3   7.302  13.878   1.153
   20    HA   ALA   3           HA       ALA   3   7.649  11.772   0.179
   21   1HB   ALA   3           HB1      ALA   3   9.313  11.631   2.685
   22   2HB   ALA   3           HB3      ALA   3   9.144  10.213   1.650
   23   3HB   ALA   3           HB2      ALA   3   9.847  11.697   1.006
   24    H    VAL   4           HN       VAL   4   5.390  11.221   0.355
   25    HA   VAL   4           HA       VAL   4   4.890   9.121   2.414
   26    HB   VAL   4           HB       VAL   4   3.728  11.020   3.290
   27   1HG1  VAL   4          HG12      VAL   4   3.893  12.298   1.099
   28   2HG1  VAL   4          HG11      VAL   4   2.455  11.422   0.573
   29   3HG1  VAL   4          HG13      VAL   4   2.372  12.496   1.969
   30   1HG2  VAL   4          HG22      VAL   4   2.366   8.733   2.347
   31   2HG2  VAL   4          HG21      VAL   4   1.845   9.825   3.630
   32   3HG2  VAL   4          HG23      VAL   4   1.321  10.103   1.969
   33    H    SER   5           HN       SER   5   5.363   7.682   0.575
   34    HA   SER   5           HA       SER   5   2.960   6.901  -0.833
   35   1HB   SER   5           HB2      SER   5   4.203   8.946  -2.101
   36   2HB   SER   5           HB1      SER   5   5.092   7.587  -2.786
   37    HG   SER   5           HG       SER   5   3.154   8.157  -3.945
   38    H    VAL   6           HN       VAL   6   3.298   4.864  -1.989
   39    HA   VAL   6           HA       VAL   6   5.899   3.585  -1.287
   40    HB   VAL   6           HB       VAL   6   3.168   2.299  -1.477
   41   1HG1  VAL   6          HG13      VAL   6   5.821   1.210  -1.605
   42   2HG1  VAL   6          HG12      VAL   6   5.085   0.709  -0.083
   43   3HG1  VAL   6          HG11      VAL   6   4.284   0.344  -1.612
   44   1HG2  VAL   6          HG23      VAL   6   3.964   3.871   0.547
   45   2HG2  VAL   6          HG22      VAL   6   3.016   2.410   0.825
   46   3HG2  VAL   6          HG21      VAL   6   4.765   2.382   1.046
   47    H    ASP   7           HN       ASP   7   4.537   4.874  -3.770
   48    HA   ASP   7           HA       ASP   7   4.418   4.455  -6.099
   49   1HB   ASP   7           HB2      ASP   7   6.884   4.720  -5.497
   50   2HB   ASP   7           HB1      ASP   7   6.987   2.959  -5.554
   51    H    CYS   8           HN       CYS   8   2.739   3.030  -6.548
   52    HA   CYS   8           HA       CYS   8   3.405   0.116  -6.428
   53   1HB   CYS   8           HB2      CYS   8   0.633   1.338  -6.495
   54   2HB   CYS   8           HB1      CYS   8   1.053  -0.344  -6.172
   55    H    SER   9           HN       SER   9   4.236   1.747  -8.606
   56    HA   SER   9           HA       SER   9   2.301   1.521 -10.764
   57   1HB   SER   9           HB2      SER   9   4.322   3.172 -10.533
   58   2HB   SER   9           HB1      SER   9   5.252   1.847 -11.225
   59    HG   SER   9           HG       SER   9   4.232   3.431 -12.715
   60    H    GLU  10           HN       GLU  10   3.924  -0.795  -9.174
   61    HA   GLU  10           HA       GLU  10   4.181  -2.503 -11.616
   62   1HB   GLU  10           HB2      GLU  10   5.616  -2.906  -8.977
   63   2HB   GLU  10           HB1      GLU  10   5.909  -3.758 -10.493
   64   1HG   GLU  10           HG2      GLU  10   7.520  -2.208 -10.861
   65   2HG   GLU  10           HG1      GLU  10   6.191  -1.107 -11.223
   66    H    TYR  11           HN       TYR  11   1.780  -1.979 -10.106
   67    HA   TYR  11           HA       TYR  11   1.283  -4.643  -8.875
   68   1HB   TYR  11           HB2      TYR  11   0.437  -1.842  -8.181
   69   2HB   TYR  11           HB1      TYR  11  -0.602  -3.178  -7.705
   70    HD1  TYR  11           HD1      TYR  11   0.323  -5.016  -6.230
   71    HD2  TYR  11           HD2      TYR  11   2.553  -1.462  -7.155
   72    HE1  TYR  11           HE1      TYR  11   1.916  -5.525  -4.392
   73    HE2  TYR  11           HE2      TYR  11   4.127  -1.971  -5.311
   74    HH   TYR  11           HH       TYR  11   4.297  -4.977  -3.831
   75    HA   PRO  12           HA       PRO  12  -0.783  -4.903  -7.842
   76   1HB   PRO  12           HB2      PRO  12  -2.841  -6.716  -8.011
   77   2HB   PRO  12           HB1      PRO  12  -3.092  -4.977  -7.779
   78   1HG   PRO  12           HG2      PRO  12  -3.651  -6.614 -10.168
   79   2HG   PRO  12           HG1      PRO  12  -4.203  -4.973  -9.790
   80   1HD   PRO  12           HD2      PRO  12  -2.011  -5.786 -11.502
   81   2HD   PRO  12           HD1      PRO  12  -2.640  -4.159 -11.295
   82    H    LYS  13           HN       LYS  13  -1.040  -7.401  -6.974
   83    HA   LYS  13           HA       LYS  13   0.533  -9.165  -8.796
   84   1HB   LYS  13           HB2      LYS  13   1.158  -9.218  -5.881
   85   2HB   LYS  13           HB1      LYS  13   2.205  -9.526  -7.264
   86   1HG   LYS  13           HG2      LYS  13   1.136  -6.773  -6.618
   87   2HG   LYS  13           HG1      LYS  13   2.672  -7.370  -6.003
   88   1HD   LYS  13           HD2      LYS  13   2.282  -7.740  -8.906
   89   2HD   LYS  13           HD1      LYS  13   2.399  -6.060  -8.379
   90   1HE   LYS  13           HE2      LYS  13   4.631  -6.960  -8.910
   91   2HE   LYS  13           HE1      LYS  13   4.503  -6.576  -7.193
   92   1HZ   LYS  13           HZ1      LYS  13   3.857  -9.282  -8.163
   93   2HZ   LYS  13           HZ3      LYS  13   5.473  -8.837  -7.902
   94   3HZ   LYS  13           HZ2      LYS  13   4.361  -8.790  -6.617
   95    HA   PRO  14           HA       PRO  14  -2.533 -12.057  -7.424
   96   1HB   PRO  14           HB2      PRO  14  -1.375 -14.311  -8.488
   97   2HB   PRO  14           HB1      PRO  14  -2.251 -13.108  -9.450
   98   1HG   PRO  14           HG2      PRO  14   0.683 -13.585  -9.262
   99   2HG   PRO  14           HG1      PRO  14  -0.254 -12.873 -10.584
  100   1HD   PRO  14           HD2      PRO  14   1.306 -11.456  -8.716
  101   2HD   PRO  14           HD1      PRO  14   0.129 -10.754  -9.802
  102    H    ALA  15           HN       ALA  15   0.187 -11.564  -5.888
  103    HA   ALA  15           HA       ALA  15  -0.340 -13.369  -3.714
  104   1HB   ALA  15           HB2      ALA  15   1.899 -14.033  -5.627
  105   2HB   ALA  15           HB1      ALA  15   2.016 -14.469  -3.923
  106   3HB   ALA  15           HB3      ALA  15   0.708 -15.119  -4.911
  107    H    CYS  16           HN       CYS  16   1.054 -12.769  -1.855
  108    HA   CYS  16           HA       CYS  16   3.030 -10.641  -2.412
  109   1HB   CYS  16           HB2      CYS  16   0.766 -10.099  -0.487
  110   2HB   CYS  16           HB1      CYS  16   2.000  -8.979  -1.053
  111    H    THR  17           HN       THR  17   4.752 -11.097  -1.205
  112    HA   THR  17           HA       THR  17   4.423 -12.501   1.385
  113    HB   THR  17           HB       THR  17   7.040 -12.187   1.322
  114    HG1  THR  17           HG1      THR  17   7.817 -11.957  -0.742
  115   1HG2  THR  17          HG23      THR  17   5.673 -14.322   1.061
  116   2HG2  THR  17          HG22      THR  17   5.775 -14.072  -0.683
  117   3HG2  THR  17          HG21      THR  17   7.245 -14.322   0.260
  118    H    LEU  18           HN       LEU  18   7.037 -10.341   1.197
  119    HA   LEU  18           HA       LEU  18   7.446  -8.378   2.347
  120   1HB   LEU  18           HB2      LEU  18   4.719  -8.021   1.186
  121   2HB   LEU  18           HB1      LEU  18   5.396  -6.778   2.242
  122    HG   LEU  18           HG       LEU  18   7.455  -7.501   0.448
  123   1HD1  LEU  18          HD12      LEU  18   4.991  -8.120  -0.730
  124   2HD1  LEU  18          HD11      LEU  18   5.410  -6.536  -1.383
  125   3HD1  LEU  18          HD13      LEU  18   6.524  -7.890  -1.570
  126   1HD2  LEU  18          HD21      LEU  18   5.696  -5.140   0.983
  127   2HD2  LEU  18          HD23      LEU  18   7.450  -5.283   1.108
  128   3HD2  LEU  18          HD22      LEU  18   6.690  -5.116  -0.474
  129    H    GLU  19           HN       GLU  19   7.735  -9.186   4.319
  130    HA   GLU  19           HA       GLU  19   6.047 -10.280   6.197
  131   1HB   GLU  19           HB2      GLU  19   7.927  -8.070   7.030
  132   2HB   GLU  19           HB1      GLU  19   7.526  -9.552   7.897
  133   1HG   GLU  19           HG2      GLU  19   9.409 -10.420   6.994
  134   2HG   GLU  19           HG1      GLU  19   8.513 -10.482   5.475
  135    H    TYR  20           HN       TYR  20   5.567  -8.693   8.425
  136    HA   TYR  20           HA       TYR  20   3.248  -7.231   7.472
  137   1HB   TYR  20           HB2      TYR  20   3.459  -8.550   9.684
  138   2HB   TYR  20           HB1      TYR  20   4.234  -7.090  10.308
  139    HD1  TYR  20           HD2      TYR  20   1.442  -7.496   7.835
  140    HD2  TYR  20           HD1      TYR  20   2.652  -6.027  11.691
  141    HE1  TYR  20           HE2      TYR  20  -0.773  -6.414   8.113
  142    HE2  TYR  20           HE1      TYR  20   0.436  -4.950  11.972
  143    HH   TYR  20           HH       TYR  20  -1.409  -4.175  10.669
  144    H    ARG  21           HN       ARG  21   4.144  -5.590   6.214
  145    HA   ARG  21           HA       ARG  21   5.273  -3.296   7.772
  146   1HB   ARG  21           HB2      ARG  21   5.655  -3.744   4.796
  147   2HB   ARG  21           HB1      ARG  21   6.531  -2.628   5.845
  148   1HG   ARG  21           HG2      ARG  21   6.871  -5.188   6.985
  149   2HG   ARG  21           HG1      ARG  21   7.124  -5.391   5.251
  150   1HD   ARG  21           HD2      ARG  21   8.386  -2.957   6.200
  151   2HD   ARG  21           HD1      ARG  21   8.964  -4.357   7.102
  152    HE   ARG  21           HE       ARG  21   9.798  -5.296   5.028
  153   1HH1  ARG  21          HH21      ARG  21   7.635  -2.840   4.200
  154   2HH1  ARG  21          HH22      ARG  21   8.580  -2.222   2.886
  155   1HH2  ARG  21          HH11      ARG  21  11.317  -4.239   3.554
  156   2HH2  ARG  21          HH12      ARG  21  10.661  -3.016   2.518
  157    HA   PRO  22           HA       PRO  22   0.975  -2.611   6.223
  158   1HB   PRO  22           HB2      PRO  22   0.206  -1.258   8.501
  159   2HB   PRO  22           HB1      PRO  22   0.071  -3.017   8.273
  160   1HG   PRO  22           HG2      PRO  22   2.070  -1.452   9.856
  161   2HG   PRO  22           HG1      PRO  22   1.449  -3.088  10.138
  162   1HD   PRO  22           HD2      PRO  22   3.945  -2.517   9.036
  163   2HD   PRO  22           HD1      PRO  22   3.085  -4.060   8.840
  164    H    LEU  23           HN       LEU  23   0.244  -0.891   5.107
  165    HA   LEU  23           HA       LEU  23   1.445   1.778   5.746
  166   1HB   LEU  23           HB2      LEU  23   0.581   0.764   3.020
  167   2HB   LEU  23           HB1      LEU  23   1.380   2.300   3.374
  168    HG   LEU  23           HG       LEU  23   2.859   0.067   4.497
  169   1HD1  LEU  23          HD11      LEU  23   1.627  -0.664   2.170
  170   2HD1  LEU  23          HD13      LEU  23   3.128   0.033   1.563
  171   3HD1  LEU  23          HD12      LEU  23   3.180  -1.300   2.716
  172   1HD2  LEU  23          HD23      LEU  23   3.253   2.564   3.040
  173   2HD2  LEU  23          HD22      LEU  23   4.298   1.779   4.224
  174   3HD2  LEU  23          HD21      LEU  23   4.370   1.300   2.528
  175    H    CYS  24           HN       CYS  24  -0.115   3.172   6.412
  176    HA   CYS  24           HA       CYS  24  -2.917   2.377   6.262
  177   1HB   CYS  24           HB2      CYS  24  -2.374   3.498   8.251
  178   2HB   CYS  24           HB1      CYS  24  -1.414   4.697   7.412
  179    H    GLY  25           HN       GLY  25  -4.586   3.697   5.326
  180   1HA   GLY  25           HA2      GLY  25  -3.732   5.038   2.825
  181   2HA   GLY  25           HA1      GLY  25  -5.234   4.311   3.068
  182    H    SER  26           HN       SER  26  -5.262   6.847   2.135
  183    HA   SER  26           HA       SER  26  -5.380   8.737   4.375
  184   1HB   SER  26           HB2      SER  26  -6.506  10.111   2.346
  185   2HB   SER  26           HB1      SER  26  -4.764   9.904   2.489
  186    HG   SER  26           HG       SER  26  -6.025   9.287   0.435
  187    H    ASP  27           HN       ASP  27  -7.429   6.342   3.321
  188    HA   ASP  27           HA       ASP  27  -9.899   7.877   3.947
  189   1HB   ASP  27           HB2      ASP  27 -11.123   6.179   2.857
  190   2HB   ASP  27           HB1      ASP  27  -9.662   6.327   1.882
  191    H    ASN  28           HN       ASN  28  -7.627   6.371   5.673
  192    HA   ASN  28           HA       ASN  28  -7.687   5.736   7.945
  193   1HB   ASN  28           HB2      ASN  28  -9.941   6.996   7.952
  194   2HB   ASN  28           HB1      ASN  28 -10.674   5.408   7.736
  195   1HD2  ASN  28          HD22      ASN  28 -10.389   6.082  11.411
  196   2HD2  ASN  28          HD21      ASN  28 -11.164   6.863  10.118
  197    H    LYS  29           HN       LYS  29  -7.665   3.937   5.502
  198    HA   LYS  29           HA       LYS  29  -8.622   1.445   6.862
  199   1HB   LYS  29           HB2      LYS  29  -9.516   2.175   4.488
  200   2HB   LYS  29           HB1      LYS  29  -7.973   1.527   3.930
  201   1HG   LYS  29           HG2      LYS  29  -8.717  -0.476   5.577
  202   2HG   LYS  29           HG1      LYS  29 -10.311   0.110   5.100
  203   1HD   LYS  29           HD2      LYS  29  -8.658   0.018   2.765
  204   2HD   LYS  29           HD1      LYS  29  -8.527  -1.531   3.597
  205   1HE   LYS  29           HE2      LYS  29 -11.257  -0.367   3.370
  206   2HE   LYS  29           HE1      LYS  29 -10.532  -0.984   1.885
  207   1HZ   LYS  29           HZ2      LYS  29 -10.045  -2.795   3.981
  208   2HZ   LYS  29           HZ1      LYS  29 -11.707  -2.443   3.941
  209   3HZ   LYS  29           HZ3      LYS  29 -10.934  -3.040   2.554
  210    H    THR  30           HN       THR  30  -7.019   0.111   7.557
  211    HA   THR  30           HA       THR  30  -4.233   0.717   6.790
  212    HB   THR  30           HB       THR  30  -5.489  -1.123   8.838
  213    HG1  THR  30           HG1      THR  30  -4.585   0.314  10.239
  214   1HG2  THR  30          HG23      THR  30  -2.759  -1.137   7.677
  215   2HG2  THR  30          HG22      THR  30  -2.837  -1.169   9.438
  216   3HG2  THR  30          HG21      THR  30  -3.640  -2.426   8.499
  217    H    TYR  31           HN       TYR  31  -3.121  -0.453   5.305
  218    HA   TYR  31           HA       TYR  31  -4.370  -2.955   4.271
  219   1HB   TYR  31           HB2      TYR  31  -2.429  -0.955   3.125
  220   2HB   TYR  31           HB1      TYR  31  -2.508  -2.591   2.467
  221    HD1  TYR  31           HD1      TYR  31  -4.512   0.468   3.160
  222    HD2  TYR  31           HD2      TYR  31  -4.326  -3.297   1.100
  223    HE1  TYR  31           HE1      TYR  31  -6.546   1.071   1.873
  224    HE2  TYR  31           HE2      TYR  31  -6.358  -2.694  -0.188
  225    HH   TYR  31           HH       TYR  31  -8.481  -0.680   0.570
  226    H    GLY  32           HN       GLY  32  -3.285  -4.911   4.522
  227   1HA   GLY  32           HA2      GLY  32  -1.613  -5.471   6.573
  228   2HA   GLY  32           HA1      GLY  32  -1.486  -6.375   5.074
  229    H    ASN  33           HN       ASN  33  -0.444  -4.457   3.343
  230    HA   ASN  33           HA       ASN  33   1.703  -2.989   4.546
  231   1HB   ASN  33           HB2      ASN  33   3.597  -4.317   3.851
  232   2HB   ASN  33           HB1      ASN  33   2.543  -5.327   4.821
  233   1HD2  ASN  33          HD22      ASN  33   3.241  -7.454   1.963
  234   2HD2  ASN  33          HD21      ASN  33   3.958  -6.940   3.409
  235    H    LYS  34           HN       LYS  34   3.436  -3.636   2.125
  236    HA   LYS  34           HA       LYS  34   2.387  -1.533   0.484
  237   1HB   LYS  34           HB2      LYS  34   4.534  -1.410  -0.146
  238   2HB   LYS  34           HB1      LYS  34   4.858  -2.699   0.994
  239   1HG   LYS  34           HG2      LYS  34   4.658  -4.378  -0.713
  240   2HG   LYS  34           HG1      LYS  34   4.039  -3.198  -1.872
  241   1HD   LYS  34           HD2      LYS  34   6.184  -1.985  -1.802
  242   2HD   LYS  34           HD1      LYS  34   6.808  -3.152  -0.638
  243   1HE   LYS  34           HE2      LYS  34   6.328  -4.957  -2.363
  244   2HE   LYS  34           HE1      LYS  34   6.027  -3.659  -3.518
  245   1HZ   LYS  34           HZ1      LYS  34   8.524  -3.815  -1.938
  246   2HZ   LYS  34           HZ3      LYS  34   8.359  -4.588  -3.438
  247   3HZ   LYS  34           HZ2      LYS  34   8.218  -2.897  -3.335
  248    H    CYS  35           HN       CYS  35   2.507  -5.094   0.002
  249    HA   CYS  35           HA       CYS  35   1.579  -4.895  -2.711
  250   1HB   CYS  35           HB2      CYS  35   2.680  -6.936  -1.637
  251   2HB   CYS  35           HB1      CYS  35   1.111  -7.263  -0.899
  252    H    ASN  36           HN       ASN  36  -0.059  -5.132   0.406
  253    HA   ASN  36           HA       ASN  36  -2.692  -5.464  -0.816
  254   1HB   ASN  36           HB2      ASN  36  -1.825  -4.747   2.002
  255   2HB   ASN  36           HB1      ASN  36  -3.506  -4.988   1.523
  256   1HD2  ASN  36          HD22      ASN  36  -0.989  -8.245   1.608
  257   2HD2  ASN  36          HD21      ASN  36  -0.332  -6.689   1.452
  258    H    PHE  37           HN       PHE  37  -0.901  -2.800   0.713
  259    HA   PHE  37           HA       PHE  37  -2.896  -0.774   0.380
  260   1HB   PHE  37           HB2      PHE  37  -0.739  -0.616   1.695
  261   2HB   PHE  37           HB1      PHE  37   0.096  -0.275   0.283
  262    HD1  PHE  37           HD1      PHE  37  -2.891   0.985   2.140
  263    HD2  PHE  37           HD2      PHE  37   0.234   1.715  -0.683
  264    HE1  PHE  37           HE1      PHE  37  -3.595   3.355   1.977
  265    HE2  PHE  37           HE2      PHE  37  -0.450   4.073  -0.868
  266    HZ   PHE  37           HZ       PHE  37  -2.371   4.915   0.480
  267    H    CYS  38           HN       CYS  38  -0.501  -2.130  -1.598
  268    HA   CYS  38           HA       CYS  38  -0.747  -0.118  -3.720
  269   1HB   CYS  38           HB2      CYS  38   0.689  -2.774  -3.509
  270   2HB   CYS  38           HB1      CYS  38   0.599  -1.898  -5.037
  271    H    ASN  39           HN       ASN  39  -2.061  -3.329  -3.026
  272    HA   ASN  39           HA       ASN  39  -3.257  -3.811  -5.590
  273   1HB   ASN  39           HB2      ASN  39  -3.939  -4.732  -2.786
  274   2HB   ASN  39           HB1      ASN  39  -4.893  -5.225  -4.185
  275   1HD2  ASN  39          HD22      ASN  39  -2.155  -7.741  -3.613
  276   2HD2  ASN  39          HD21      ASN  39  -3.409  -7.134  -2.645
  277    H    ALA  40           HN       ALA  40  -3.959  -1.617  -3.044
  278    HA   ALA  40           HA       ALA  40  -6.742  -1.182  -3.931
  279   1HB   ALA  40           HB1      ALA  40  -5.535  -0.916  -1.483
  280   2HB   ALA  40           HB3      ALA  40  -5.502   0.750  -2.062
  281   3HB   ALA  40           HB2      ALA  40  -7.037  -0.110  -1.933
  282    H    VAL  41           HN       VAL  41  -3.575   0.382  -3.968
  283    HA   VAL  41           HA       VAL  41  -4.373   2.836  -5.218
  284    HB   VAL  41           HB       VAL  41  -1.747   1.325  -5.453
  285   1HG1  VAL  41          HG12      VAL  41  -2.214   3.211  -7.097
  286   2HG1  VAL  41          HG11      VAL  41  -2.247   4.296  -5.707
  287   3HG1  VAL  41          HG13      VAL  41  -0.773   3.411  -6.098
  288   1HG2  VAL  41          HG21      VAL  41  -2.744   1.987  -3.109
  289   2HG2  VAL  41          HG23      VAL  41  -1.051   2.333  -3.464
  290   3HG2  VAL  41          HG22      VAL  41  -2.256   3.616  -3.576
  291    H    VAL  42           HN       VAL  42  -3.830  -0.390  -6.369
  292    HA   VAL  42           HA       VAL  42  -3.806   0.427  -9.202
  293    HB   VAL  42           HB       VAL  42  -3.530  -2.006  -9.626
  294   1HG1  VAL  42          HG12      VAL  42  -1.715  -0.255  -8.555
  295   2HG1  VAL  42          HG11      VAL  42  -1.608  -1.616  -7.436
  296   3HG1  VAL  42          HG13      VAL  42  -1.319  -1.865  -9.158
  297   1HG2  VAL  42          HG22      VAL  42  -4.285  -2.105  -6.765
  298   2HG2  VAL  42          HG21      VAL  42  -4.552  -3.291  -8.039
  299   3HG2  VAL  42          HG23      VAL  42  -2.979  -3.181  -7.254
  300    H    GLU  43           HN       GLU  43  -5.968  -1.036  -6.844
  301    HA   GLU  43           HA       GLU  43  -8.010  -1.519  -8.935
  302   1HB   GLU  43           HB2      GLU  43  -7.457  -2.891  -6.636
  303   2HB   GLU  43           HB1      GLU  43  -8.754  -1.839  -6.092
  304   1HG   GLU  43           HG2      GLU  43  -9.240  -3.062  -8.724
  305   2HG   GLU  43           HG1      GLU  43  -9.133  -4.223  -7.399
  306    H    SER  44           HN       SER  44  -6.957   1.183  -7.806
  307    HA   SER  44           HA       SER  44  -9.681   2.367  -7.466
  308   1HB   SER  44           HB2      SER  44  -8.719   2.370  -5.243
  309   2HB   SER  44           HB1      SER  44  -7.184   2.978  -5.856
  310    HG   SER  44           HG       SER  44  -9.534   4.297  -5.294
  311    H    ASN  45           HN       ASN  45  -7.124   2.167  -9.435
  312    HA   ASN  45           HA       ASN  45  -6.511   3.507 -11.260
  313   1HB   ASN  45           HB2      ASN  45  -8.061   4.994 -11.968
  314   2HB   ASN  45           HB1      ASN  45  -8.983   4.548 -10.538
  315   1HD2  ASN  45          HD22      ASN  45  -8.136   8.322 -10.794
  316   2HD2  ASN  45          HD21      ASN  45  -8.543   7.239 -12.037
  317    H    GLY  46           HN       GLY  46  -5.827   3.905  -8.101
  318   1HA   GLY  46           HA2      GLY  46  -3.799   4.749  -7.207
  319   2HA   GLY  46           HA1      GLY  46  -3.533   5.658  -8.690
  320    H    THR  47           HN       THR  47  -6.674   5.910  -7.317
  321    HA   THR  47           HA       THR  47  -6.260   8.759  -6.763
  322    HB   THR  47           HB       THR  47  -8.714   8.401  -5.847
  323    HG1  THR  47           HG1      THR  47  -9.345   6.502  -7.435
  324   1HG2  THR  47          HG23      THR  47  -7.526   8.836  -8.424
  325   2HG2  THR  47          HG22      THR  47  -9.043   7.956  -8.611
  326   3HG2  THR  47          HG21      THR  47  -9.020   9.504  -7.767
  327    H    LEU  48           HN       LEU  48  -6.039   5.836  -5.048
  328    HA   LEU  48           HA       LEU  48  -6.611   6.884  -2.400
  329   1HB   LEU  48           HB2      LEU  48  -6.955   4.555  -2.587
  330   2HB   LEU  48           HB1      LEU  48  -5.488   4.326  -3.534
  331    HG   LEU  48           HG       LEU  48  -4.178   5.001  -1.449
  332   1HD1  LEU  48          HD11      LEU  48  -6.817   5.508  -0.534
  333   2HD1  LEU  48          HD13      LEU  48  -6.148   4.194   0.432
  334   3HD1  LEU  48          HD12      LEU  48  -5.296   5.736   0.329
  335   1HD2  LEU  48          HD22      LEU  48  -4.629   2.623  -2.275
  336   2HD2  LEU  48          HD21      LEU  48  -4.214   2.789  -0.569
  337   3HD2  LEU  48          HD23      LEU  48  -5.894   2.550  -1.049
  338    H    THR  49           HN       THR  49  -5.099   7.599  -0.901
  339    HA   THR  49           HA       THR  49  -2.250   7.623  -1.762
  340    HB   THR  49           HB       THR  49  -1.964   9.862  -1.180
  341    HG1  THR  49           HG1      THR  49  -2.856  10.317   0.663
  342   1HG2  THR  49          HG21      THR  49  -4.760   9.604  -2.314
  343   2HG2  THR  49          HG23      THR  49  -3.854  11.116  -2.266
  344   3HG2  THR  49          HG22      THR  49  -3.261   9.761  -3.228
  345    H    LEU  50           HN       LEU  50  -0.826   7.157  -0.096
  346    HA   LEU  50           HA       LEU  50  -1.854   5.856   2.222
  347   1HB   LEU  50           HB2      LEU  50   0.220   5.097   1.512
  348   2HB   LEU  50           HB1      LEU  50   0.839   6.721   1.216
  349    HG   LEU  50           HG       LEU  50   0.518   6.891   3.878
  350   1HD1  LEU  50          HD11      LEU  50  -0.005   4.171   3.294
  351   2HD1  LEU  50          HD13      LEU  50   1.586   4.228   4.050
  352   3HD1  LEU  50          HD12      LEU  50   0.189   4.908   4.886
  353   1HD2  LEU  50          HD21      LEU  50   2.603   6.869   2.192
  354   2HD2  LEU  50          HD23      LEU  50   2.815   6.828   3.941
  355   3HD2  LEU  50          HD22      LEU  50   2.901   5.334   3.008
  356    H    SER  51           HN       SER  51  -1.483   6.631   4.489
  357    HA   SER  51           HA       SER  51  -1.619   9.605   4.621
  358   1HB   SER  51           HB2      SER  51  -3.478   7.620   5.628
  359   2HB   SER  51           HB1      SER  51  -2.776   8.497   6.933
  360    HG   SER  51           HG       SER  51  -3.787  10.234   6.338
  361    H    HIS  52           HN       HIS  52  -0.184   6.681   5.809
  362    HA   HIS  52           HA       HIS  52   2.078   7.998   6.894
  363   1HB   HIS  52           HB2      HIS  52   1.766   7.843   9.273
  364   2HB   HIS  52           HB1      HIS  52   0.371   8.706   8.628
  365    HD1  HIS  52           HD1      HIS  52   1.205   5.951  10.788
  366    HD2  HIS  52           HD2      HIS  52  -1.889   6.732   8.106
  367    HE1  HIS  52           HE1      HIS  52  -0.678   4.362  11.382
  368    H    PHE  53           HN       PHE  53   3.660   6.483   6.900
  369    HA   PHE  53           HA       PHE  53   3.172   3.793   6.167
  370   1HB   PHE  53           HB2      PHE  53   5.570   5.112   7.459
  371   2HB   PHE  53           HB1      PHE  53   5.569   3.431   6.924
  372    HD1  PHE  53           HD2      PHE  53   5.116   6.946   5.775
  373    HD2  PHE  53           HD1      PHE  53   5.783   2.861   4.619
  374    HE1  PHE  53           HE2      PHE  53   5.578   7.679   3.451
  375    HE2  PHE  53           HE1      PHE  53   6.245   3.595   2.296
  376    HZ   PHE  53           HZ       PHE  53   6.140   6.003   1.711
  377    H    GLY  54           HN       GLY  54   2.208   2.255   7.378
  378   1HA   GLY  54           HA2      GLY  54   2.899   0.918   9.527
  379   2HA   GLY  54           HA1      GLY  54   2.364   2.395  10.319
  380    H    LYS  55           HN       LYS  55   0.941   0.510  11.146
  381    HA   LYS  55           HA       LYS  55  -1.360  -0.046   9.412
  382   1HB   LYS  55           HB2      LYS  55  -2.034  -1.006  11.935
  383   2HB   LYS  55           HB1      LYS  55  -1.370  -1.949  10.613
  384   1HG   LYS  55           HG2      LYS  55  -0.129  -2.265  12.720
  385   2HG   LYS  55           HG1      LYS  55   0.906  -1.635  11.474
  386   1HD   LYS  55           HD2      LYS  55   1.444   0.010  12.954
  387   2HD   LYS  55           HD1      LYS  55  -0.198   0.621  12.759
  388   1HE   LYS  55           HE2      LYS  55  -0.742  -1.320  14.501
  389   2HE   LYS  55           HE1      LYS  55   0.950  -1.070  14.937
  390   1HZ   LYS  55           HZ2      LYS  55  -0.826   1.251  14.628
  391   2HZ   LYS  55           HZ1      LYS  55  -0.896   0.337  16.058
  392   3HZ   LYS  55           HZ3      LYS  55   0.558   1.076  15.597
  393    H    CYS  56           HN       CYS  56  -2.604   1.762   9.193
  394    HA   CYS  56           HA       CYS  56  -2.975   3.915  10.862
  395   1HB   CYS  56           HB2      CYS  56  -4.368   2.810   8.663
  396   2HB   CYS  56           HB1      CYS  56  -5.579   3.126   9.905
   
  No H/Q in entry =         396
  Start of MODEL          18
 Raw file had  401 H/Q atoms
  Start of MODEL   18
    1   1H    LEU   1           HT2      LEU   1  12.605  14.707   4.832
    2   2H    LEU   1           HT1      LEU   1  12.066  16.276   4.466
    3   3H    LEU   1           HT3      LEU   1  11.680  15.577   5.962
    4    HA   LEU   1           HA       LEU   1   9.917  14.510   5.157
    5   1HB   LEU   1           HB2      LEU   1  10.545  16.733   3.388
    6   2HB   LEU   1           HB1      LEU   1   9.661  15.468   2.535
    7    HG   LEU   1           HG       LEU   1   8.748  16.382   5.252
    8   1HD1  LEU   1          HD11      LEU   1   9.062  18.230   3.309
    9   2HD1  LEU   1          HD13      LEU   1   7.488  17.585   2.842
   10   3HD1  LEU   1          HD12      LEU   1   7.717  18.268   4.452
   11   1HD2  LEU   1          HD23      LEU   1   7.471  15.108   2.819
   12   2HD2  LEU   1          HD22      LEU   1   7.672  14.402   4.423
   13   3HD2  LEU   1          HD21      LEU   1   6.533  15.726   4.179
   14    H    ALA   2           HN       ALA   2   9.513  12.504   4.321
   15    HA   ALA   2           HA       ALA   2  11.427  11.486   2.260
   16   1HB   ALA   2           HB2      ALA   2  10.637  10.428   4.786
   17   2HB   ALA   2           HB1      ALA   2   9.981   9.367   3.539
   18   3HB   ALA   2           HB3      ALA   2  11.713   9.697   3.595
   19    H    ALA   3           HN       ALA   3   8.605  12.862   2.186
   20    HA   ALA   3           HA       ALA   3   6.692  12.677   0.838
   21   1HB   ALA   3           HB2      ALA   3   8.793  11.099  -0.593
   22   2HB   ALA   3           HB1      ALA   3   7.129  10.982  -1.164
   23   3HB   ALA   3           HB3      ALA   3   7.935  12.550  -1.113
   24    H    VAL   4           HN       VAL   4   5.010  11.025   0.075
   25    HA   VAL   4           HA       VAL   4   5.169   8.514   1.683
   26    HB   VAL   4           HB       VAL   4   2.558   8.979   1.919
   27   1HG1  VAL   4          HG11      VAL   4   4.523   8.846   3.659
   28   2HG1  VAL   4          HG13      VAL   4   4.352  10.600   3.704
   29   3HG1  VAL   4          HG12      VAL   4   2.988   9.570   4.138
   30   1HG2  VAL   4          HG21      VAL   4   3.800  11.739   1.667
   31   2HG2  VAL   4          HG23      VAL   4   2.553  11.054   0.625
   32   3HG2  VAL   4          HG22      VAL   4   2.188  11.422   2.311
   33    H    SER   5           HN       SER   5   5.584   7.341  -0.252
   34    HA   SER   5           HA       SER   5   3.165   6.766  -1.827
   35   1HB   SER   5           HB2      SER   5   4.366   8.698  -2.978
   36   2HB   SER   5           HB1      SER   5   5.701   7.586  -3.265
   37    HG   SER   5           HG       SER   5   3.877   7.841  -4.896
   38    H    VAL   6           HN       VAL   6   3.131   4.572  -1.708
   39    HA   VAL   6           HA       VAL   6   5.648   3.064  -1.439
   40    HB   VAL   6           HB       VAL   6   2.866   1.908  -1.681
   41   1HG1  VAL   6          HG12      VAL   6   5.294   0.683  -1.544
   42   2HG1  VAL   6          HG11      VAL   6   4.910   0.823   0.170
   43   3HG1  VAL   6          HG13      VAL   6   3.809  -0.028  -0.913
   44   1HG2  VAL   6          HG23      VAL   6   3.302   3.823   0.118
   45   2HG2  VAL   6          HG22      VAL   6   2.391   2.374   0.539
   46   3HG2  VAL   6          HG21      VAL   6   4.092   2.505   0.983
   47    H    ASP   7           HN       ASP   7   6.269   1.398  -2.949
   48    HA   ASP   7           HA       ASP   7   6.039   2.075  -5.695
   49   1HB   ASP   7           HB2      ASP   7   7.820   0.605  -4.778
   50   2HB   ASP   7           HB1      ASP   7   6.618  -0.655  -4.498
   51    H    CYS   8           HN       CYS   8   4.389   1.727  -7.136
   52    HA   CYS   8           HA       CYS   8   2.494  -0.481  -6.617
   53   1HB   CYS   8           HB2      CYS   8   1.783   1.777  -5.506
   54   2HB   CYS   8           HB1      CYS   8   1.406   2.276  -7.151
   55    H    SER   9           HN       SER   9   4.520   0.555  -8.731
   56    HA   SER   9           HA       SER   9   2.737   0.851 -11.070
   57   1HB   SER   9           HB2      SER   9   5.103   2.009 -10.550
   58   2HB   SER   9           HB1      SER   9   5.685   0.577 -11.395
   59    HG   SER   9           HG       SER   9   4.940   2.660 -12.571
   60    H    GLU  10           HN       GLU  10   3.213  -1.759  -9.424
   61    HA   GLU  10           HA       GLU  10   3.683  -3.440 -11.850
   62   1HB   GLU  10           HB2      GLU  10   4.964  -5.041 -10.485
   63   2HB   GLU  10           HB1      GLU  10   5.732  -3.453 -10.490
   64   1HG   GLU  10           HG2      GLU  10   3.768  -4.185  -8.328
   65   2HG   GLU  10           HG1      GLU  10   5.455  -4.687  -8.212
   66    H    TYR  11           HN       TYR  11   1.758  -2.840  -9.059
   67    HA   TYR  11           HA       TYR  11   0.669  -5.506  -8.867
   68   1HB   TYR  11           HB2      TYR  11  -0.059  -2.827  -7.670
   69   2HB   TYR  11           HB1      TYR  11  -0.917  -4.308  -7.272
   70    HD1  TYR  11           HD2      TYR  11   2.291  -2.514  -7.011
   71    HD2  TYR  11           HD1      TYR  11   0.177  -6.116  -6.005
   72    HE1  TYR  11           HE2      TYR  11   4.096  -3.130  -5.433
   73    HE2  TYR  11           HE1      TYR  11   1.985  -6.722  -4.415
   74    HH   TYR  11           HH       TYR  11   3.877  -6.085  -3.458
   75    HA   PRO  12           HA       PRO  12  -1.649  -5.794  -7.929
   76   1HB   PRO  12           HB2      PRO  12  -3.129  -7.904  -8.891
   77   2HB   PRO  12           HB1      PRO  12  -3.839  -6.367  -8.367
   78   1HG   PRO  12           HG2      PRO  12  -3.360  -7.367 -11.151
   79   2HG   PRO  12           HG1      PRO  12  -4.640  -6.300 -10.546
   80   1HD   PRO  12           HD2      PRO  12  -2.362  -5.422 -11.907
   81   2HD   PRO  12           HD1      PRO  12  -3.390  -4.427 -10.931
   82    H    LYS  13           HN       LYS  13  -0.861  -7.866  -7.192
   83    HA   LYS  13           HA       LYS  13   0.909  -9.294  -9.132
   84   1HB   LYS  13           HB2      LYS  13   1.621  -7.766  -6.780
   85   2HB   LYS  13           HB1      LYS  13   2.073  -9.455  -6.571
   86   1HG   LYS  13           HG2      LYS  13   2.986  -9.198  -9.038
   87   2HG   LYS  13           HG1      LYS  13   3.013  -7.483  -8.625
   88   1HD   LYS  13           HD2      LYS  13   4.602  -7.773  -6.945
   89   2HD   LYS  13           HD1      LYS  13   4.199  -9.475  -6.717
   90   1HE   LYS  13           HE2      LYS  13   5.022  -9.507  -9.310
   91   2HE   LYS  13           HE1      LYS  13   6.036  -8.215  -8.666
   92   1HZ   LYS  13           HZ3      LYS  13   5.850 -10.505  -6.939
   93   2HZ   LYS  13           HZ2      LYS  13   6.547 -10.862  -8.446
   94   3HZ   LYS  13           HZ1      LYS  13   7.219  -9.651  -7.461
   95    HA   PRO  14           HA       PRO  14  -1.151 -12.811  -7.432
   96   1HB   PRO  14           HB2      PRO  14   0.555 -14.732  -8.405
   97   2HB   PRO  14           HB1      PRO  14  -0.646 -13.888  -9.398
   98   1HG   PRO  14           HG2      PRO  14   2.309 -13.517  -9.306
   99   2HG   PRO  14           HG1      PRO  14   1.182 -13.208 -10.636
  100   1HD   PRO  14           HD2      PRO  14   2.318 -11.258  -8.970
  101   2HD   PRO  14           HD1      PRO  14   0.939 -11.013 -10.017
  102    H    ALA  15           HN       ALA  15   1.370 -11.467  -6.043
  103    HA   ALA  15           HA       ALA  15   1.473 -13.402  -3.854
  104   1HB   ALA  15           HB2      ALA  15   3.992 -12.723  -5.404
  105   2HB   ALA  15           HB1      ALA  15   3.934 -13.644  -3.901
  106   3HB   ALA  15           HB3      ALA  15   3.205 -14.302  -5.366
  107    H    CYS  16           HN       CYS  16   0.952 -11.882  -2.298
  108    HA   CYS  16           HA       CYS  16   2.050  -9.171  -2.423
  109   1HB   CYS  16           HB2      CYS  16   0.345 -10.595  -0.357
  110   2HB   CYS  16           HB1      CYS  16   0.888  -8.930  -0.181
  111    H    THR  17           HN       THR  17   3.822  -8.425  -1.322
  112    HA   THR  17           HA       THR  17   5.870 -10.061  -0.418
  113    HB   THR  17           HB       THR  17   6.618  -8.102   0.974
  114    HG1  THR  17           HG1      THR  17   4.008  -7.302   0.307
  115   1HG2  THR  17          HG21      THR  17   6.755  -8.350  -1.641
  116   2HG2  THR  17          HG23      THR  17   5.587  -7.030  -1.631
  117   3HG2  THR  17          HG22      THR  17   7.170  -6.813  -0.886
  118    H    LEU  18           HN       LEU  18   6.589 -10.483   1.889
  119    HA   LEU  18           HA       LEU  18   4.186 -11.199   3.498
  120   1HB   LEU  18           HB2      LEU  18   5.660 -12.813   4.643
  121   2HB   LEU  18           HB1      LEU  18   5.701 -13.065   2.898
  122    HG   LEU  18           HG       LEU  18   7.710 -11.223   3.244
  123   1HD1  LEU  18          HD11      LEU  18   7.675 -13.096   5.629
  124   2HD1  LEU  18          HD13      LEU  18   9.075 -12.143   5.137
  125   3HD1  LEU  18          HD12      LEU  18   7.601 -11.335   5.671
  126   1HD2  LEU  18          HD22      LEU  18   7.664 -14.236   3.127
  127   2HD2  LEU  18          HD21      LEU  18   8.078 -13.089   1.851
  128   3HD2  LEU  18          HD23      LEU  18   9.194 -13.363   3.189
  129    H    GLU  19           HN       GLU  19   7.256  -9.452   3.627
  130    HA   GLU  19           HA       GLU  19   7.536  -8.922   6.343
  131   1HB   GLU  19           HB2      GLU  19   8.410  -6.677   5.677
  132   2HB   GLU  19           HB1      GLU  19   9.071  -7.976   4.682
  133   1HG   GLU  19           HG2      GLU  19   6.588  -7.020   3.547
  134   2HG   GLU  19           HG1      GLU  19   7.706  -5.677   3.783
  135    H    TYR  20           HN       TYR  20   6.388  -7.686   7.855
  136    HA   TYR  20           HA       TYR  20   3.681  -6.926   7.045
  137   1HB   TYR  20           HB2      TYR  20   4.259  -8.009   9.272
  138   2HB   TYR  20           HB1      TYR  20   4.939  -6.451   9.751
  139    HD1  TYR  20           HD2      TYR  20   1.942  -7.248   7.658
  140    HD2  TYR  20           HD1      TYR  20   3.425  -5.508  11.297
  141    HE1  TYR  20           HE2      TYR  20  -0.329  -6.405   8.173
  142    HE2  TYR  20           HE1      TYR  20   1.150  -4.663  11.815
  143    HH   TYR  20           HH       TYR  20  -1.273  -4.430   9.599
  144    H    ARG  21           HN       ARG  21   3.819  -5.129   5.736
  145    HA   ARG  21           HA       ARG  21   4.941  -2.661   7.005
  146   1HB   ARG  21           HB2      ARG  21   4.469  -3.011   4.041
  147   2HB   ARG  21           HB1      ARG  21   5.501  -1.834   4.852
  148   1HG   ARG  21           HG2      ARG  21   6.429  -4.368   5.677
  149   2HG   ARG  21           HG1      ARG  21   6.166  -4.491   3.937
  150   1HD   ARG  21           HD2      ARG  21   7.756  -2.893   3.443
  151   2HD   ARG  21           HD1      ARG  21   7.515  -2.033   4.964
  152    HE   ARG  21           HE       ARG  21   8.701  -4.679   5.311
  153   1HH1  ARG  21          HH11      ARG  21   9.447  -2.714   7.248
  154   2HH1  ARG  21          HH12      ARG  21  10.970  -2.104   6.693
  155   1HH2  ARG  21          HH21      ARG  21  10.569  -3.297   3.459
  156   2HH2  ARG  21          HH22      ARG  21  11.605  -2.432   4.546
  157    HA   PRO  22           HA       PRO  22   0.327  -2.504   6.764
  158   1HB   PRO  22           HB2      PRO  22   0.119  -1.160   9.186
  159   2HB   PRO  22           HB1      PRO  22   0.067  -2.934   9.003
  160   1HG   PRO  22           HG2      PRO  22   2.320  -1.183   9.923
  161   2HG   PRO  22           HG1      PRO  22   1.916  -2.840  10.410
  162   1HD   PRO  22           HD2      PRO  22   3.957  -2.216   8.640
  163   2HD   PRO  22           HD1      PRO  22   3.113  -3.781   8.664
  164    H    LEU  23           HN       LEU  23  -0.101  -0.911   5.236
  165    HA   LEU  23           HA       LEU  23   0.887   1.827   5.881
  166   1HB   LEU  23           HB2      LEU  23  -0.356   0.918   3.284
  167   2HB   LEU  23           HB1      LEU  23   0.720   2.292   3.562
  168    HG   LEU  23           HG       LEU  23   1.855  -0.297   4.390
  169   1HD1  LEU  23          HD12      LEU  23   0.540  -0.924   2.351
  170   2HD1  LEU  23          HD11      LEU  23   1.488   0.258   1.446
  171   3HD1  LEU  23          HD13      LEU  23   2.282  -1.130   2.190
  172   1HD2  LEU  23          HD21      LEU  23   2.681   2.181   2.933
  173   2HD2  LEU  23          HD23      LEU  23   3.362   1.461   4.393
  174   3HD2  LEU  23          HD22      LEU  23   3.679   0.730   2.818
  175    H    CYS  24           HN       CYS  24  -0.599   3.134   6.827
  176    HA   CYS  24           HA       CYS  24  -3.440   2.362   6.816
  177   1HB   CYS  24           HB2      CYS  24  -2.327   3.551   8.778
  178   2HB   CYS  24           HB1      CYS  24  -2.258   4.967   7.784
  179    H    GLY  25           HN       GLY  25  -4.646   2.797   5.007
  180   1HA   GLY  25           HA2      GLY  25  -3.793   4.414   2.910
  181   2HA   GLY  25           HA1      GLY  25  -5.439   4.054   3.170
  182    H    SER  26           HN       SER  26  -5.612   6.412   2.331
  183    HA   SER  26           HA       SER  26  -4.955   8.405   4.422
  184   1HB   SER  26           HB2      SER  26  -4.606   9.145   2.155
  185   2HB   SER  26           HB1      SER  26  -6.225   8.645   1.685
  186    HG   SER  26           HG       SER  26  -6.381  10.791   2.082
  187    H    ASP  27           HN       ASP  27  -7.405   6.220   3.944
  188    HA   ASP  27           HA       ASP  27  -9.461   8.041   5.128
  189   1HB   ASP  27           HB2      ASP  27 -11.105   6.307   4.375
  190   2HB   ASP  27           HB1      ASP  27 -10.213   7.039   3.039
  191    H    ASN  28           HN       ASN  28  -7.170   6.108   6.205
  192    HA   ASN  28           HA       ASN  28  -6.893   5.150   8.330
  193   1HB   ASN  28           HB2      ASN  28  -9.893   5.279   8.693
  194   2HB   ASN  28           HB1      ASN  28  -8.655   5.158   9.940
  195   1HD2  ASN  28          HD22      ASN  28  -9.132   8.686  10.205
  196   2HD2  ASN  28          HD21      ASN  28  -9.508   7.187  10.907
  197    H    LYS  29           HN       LYS  29  -7.318   3.652   5.869
  198    HA   LYS  29           HA       LYS  29  -8.594   1.199   7.007
  199   1HB   LYS  29           HB2      LYS  29  -8.789   0.416   4.650
  200   2HB   LYS  29           HB1      LYS  29  -9.684   1.907   4.935
  201   1HG   LYS  29           HG2      LYS  29  -7.567   3.125   4.117
  202   2HG   LYS  29           HG1      LYS  29  -7.046   1.552   3.515
  203   1HD   LYS  29           HD2      LYS  29  -9.717   2.807   2.831
  204   2HD   LYS  29           HD1      LYS  29  -8.283   2.943   1.811
  205   1HE   LYS  29           HE2      LYS  29  -8.846   0.974   0.883
  206   2HE   LYS  29           HE1      LYS  29  -8.508   0.209   2.436
  207   1HZ   LYS  29           HZ2      LYS  29 -11.102   1.519   1.943
  208   2HZ   LYS  29           HZ1      LYS  29 -10.823  -0.067   1.403
  209   3HZ   LYS  29           HZ3      LYS  29 -10.716   0.296   3.057
  210    H    THR  30           HN       THR  30  -6.768   0.462   8.120
  211    HA   THR  30           HA       THR  30  -4.105   0.446   7.186
  212    HB   THR  30           HB       THR  30  -5.509  -1.514   9.027
  213    HG1  THR  30           HG1      THR  30  -4.791  -0.182  10.604
  214   1HG2  THR  30          HG21      THR  30  -3.136  -2.027   7.840
  215   2HG2  THR  30          HG23      THR  30  -2.578  -1.046   9.193
  216   3HG2  THR  30          HG22      THR  30  -3.501  -2.518   9.492
  217    H    TYR  31           HN       TYR  31  -2.972  -0.862   5.844
  218    HA   TYR  31           HA       TYR  31  -4.394  -3.200   4.635
  219   1HB   TYR  31           HB2      TYR  31  -2.668  -1.057   3.443
  220   2HB   TYR  31           HB1      TYR  31  -2.622  -2.669   2.733
  221    HD1  TYR  31           HD2      TYR  31  -4.872  -3.772   2.111
  222    HD2  TYR  31           HD1      TYR  31  -4.454   0.415   2.957
  223    HE1  TYR  31           HE2      TYR  31  -6.990  -3.329   0.921
  224    HE2  TYR  31           HE1      TYR  31  -6.584   0.862   1.760
  225    HH   TYR  31           HH       TYR  31  -7.889  -0.570  -0.256
  226    H    GLY  32           HN       GLY  32  -3.379  -5.125   4.975
  227   1HA   GLY  32           HA2      GLY  32  -1.482  -5.622   6.824
  228   2HA   GLY  32           HA1      GLY  32  -1.593  -6.637   5.404
  229    H    ASN  33           HN       ASN  33  -0.534  -5.268   3.374
  230    HA   ASN  33           HA       ASN  33   1.926  -3.946   4.334
  231   1HB   ASN  33           HB2      ASN  33   3.419  -5.389   3.051
  232   2HB   ASN  33           HB1      ASN  33   2.523  -6.326   4.219
  233   1HD2  ASN  33          HD22      ASN  33   2.188  -8.349   1.225
  234   2HD2  ASN  33          HD21      ASN  33   3.304  -8.022   2.459
  235    H    LYS  34           HN       LYS  34   3.292  -3.961   1.923
  236    HA   LYS  34           HA       LYS  34   1.991  -1.809   0.570
  237   1HB   LYS  34           HB2      LYS  34   3.924  -2.307  -1.099
  238   2HB   LYS  34           HB1      LYS  34   4.323  -1.719   0.502
  239   1HG   LYS  34           HG2      LYS  34   5.055  -3.820   1.223
  240   2HG   LYS  34           HG1      LYS  34   4.126  -4.680  -0.008
  241   1HD   LYS  34           HD2      LYS  34   6.544  -2.921  -0.544
  242   2HD   LYS  34           HD1      LYS  34   6.552  -4.685  -0.528
  243   1HE   LYS  34           HE2      LYS  34   5.980  -4.638  -2.705
  244   2HE   LYS  34           HE1      LYS  34   4.426  -3.957  -2.226
  245   1HZ   LYS  34           HZ1      LYS  34   6.108  -1.835  -2.104
  246   2HZ   LYS  34           HZ3      LYS  34   6.679  -2.679  -3.460
  247   3HZ   LYS  34           HZ2      LYS  34   5.055  -2.186  -3.391
  248    H    CYS  35           HN       CYS  35   2.354  -5.274  -0.309
  249    HA   CYS  35           HA       CYS  35   1.308  -4.972  -2.949
  250   1HB   CYS  35           HB2      CYS  35   2.301  -7.082  -2.351
  251   2HB   CYS  35           HB1      CYS  35   1.186  -7.289  -1.003
  252    H    ASN  36           HN       ASN  36  -0.165  -4.900   0.174
  253    HA   ASN  36           HA       ASN  36  -2.882  -5.303  -0.860
  254   1HB   ASN  36           HB2      ASN  36  -1.608  -4.921   1.813
  255   2HB   ASN  36           HB1      ASN  36  -3.311  -4.521   1.648
  256   1HD2  ASN  36          HD22      ASN  36  -2.132  -8.424   1.513
  257   2HD2  ASN  36          HD21      ASN  36  -0.985  -7.178   1.562
  258    H    PHE  37           HN       PHE  37  -1.185  -2.602   0.789
  259    HA   PHE  37           HA       PHE  37  -3.211  -0.652   0.454
  260   1HB   PHE  37           HB2      PHE  37  -1.139  -0.368   1.783
  261   2HB   PHE  37           HB1      PHE  37  -0.225  -0.127   0.430
  262    HD1  PHE  37           HD1      PHE  37  -3.527   1.185   1.555
  263    HD2  PHE  37           HD2      PHE  37   0.304   1.907  -0.173
  264    HE1  PHE  37           HE1      PHE  37  -4.156   3.572   1.215
  265    HE2  PHE  37           HE2      PHE  37  -0.281   4.285  -0.536
  266    HZ   PHE  37           HZ       PHE  37  -2.520   5.140   0.162
  267    H    CYS  38           HN       CYS  38  -0.647  -1.671  -1.560
  268    HA   CYS  38           HA       CYS  38  -1.030   0.374  -3.578
  269   1HB   CYS  38           HB2      CYS  38   1.134  -0.571  -3.604
  270   2HB   CYS  38           HB1      CYS  38   0.520  -2.221  -3.547
  271    H    ASN  39           HN       ASN  39  -1.701  -3.173  -3.693
  272    HA   ASN  39           HA       ASN  39  -3.030  -3.367  -6.084
  273   1HB   ASN  39           HB2      ASN  39  -3.809  -4.560  -3.409
  274   2HB   ASN  39           HB1      ASN  39  -4.641  -4.984  -4.904
  275   1HD2  ASN  39          HD22      ASN  39  -2.072  -7.538  -4.838
  276   2HD2  ASN  39          HD21      ASN  39  -3.632  -7.217  -4.252
  277    H    ALA  40           HN       ALA  40  -4.151  -1.693  -3.218
  278    HA   ALA  40           HA       ALA  40  -6.833  -1.206  -4.257
  279   1HB   ALA  40           HB1      ALA  40  -6.147  -1.159  -1.787
  280   2HB   ALA  40           HB3      ALA  40  -5.371   0.387  -2.130
  281   3HB   ALA  40           HB2      ALA  40  -7.114   0.211  -2.334
  282    H    VAL  41           HN       VAL  41  -3.880   0.724  -3.821
  283    HA   VAL  41           HA       VAL  41  -4.685   3.112  -5.080
  284    HB   VAL  41           HB       VAL  41  -1.977   1.748  -5.099
  285   1HG1  VAL  41          HG12      VAL  41  -2.854   4.543  -5.844
  286   2HG1  VAL  41          HG11      VAL  41  -1.191   4.174  -5.383
  287   3HG1  VAL  41          HG13      VAL  41  -1.905   3.406  -6.801
  288   1HG2  VAL  41          HG23      VAL  41  -3.253   2.438  -2.890
  289   2HG2  VAL  41          HG22      VAL  41  -1.537   2.806  -3.074
  290   3HG2  VAL  41          HG21      VAL  41  -2.743   4.063  -3.349
  291    H    VAL  42           HN       VAL  42  -2.771   0.500  -6.601
  292    HA   VAL  42           HA       VAL  42  -2.944   1.474  -9.222
  293    HB   VAL  42           HB       VAL  42  -1.290  -0.156  -8.625
  294   1HG1  VAL  42          HG13      VAL  42  -3.659  -1.790  -7.774
  295   2HG1  VAL  42          HG12      VAL  42  -2.136  -2.570  -8.205
  296   3HG1  VAL  42          HG11      VAL  42  -2.188  -1.412  -6.876
  297   1HG2  VAL  42          HG23      VAL  42  -2.534  -0.212 -10.920
  298   2HG2  VAL  42          HG22      VAL  42  -1.422  -1.517 -10.505
  299   3HG2  VAL  42          HG21      VAL  42  -3.162  -1.751 -10.331
  300    H    GLU  43           HN       GLU  43  -5.262  -0.553  -7.435
  301    HA   GLU  43           HA       GLU  43  -6.782  -0.989  -9.942
  302   1HB   GLU  43           HB2      GLU  43  -6.473  -2.582  -7.708
  303   2HB   GLU  43           HB1      GLU  43  -8.045  -1.856  -7.443
  304   1HG   GLU  43           HG2      GLU  43  -7.816  -2.612 -10.205
  305   2HG   GLU  43           HG1      GLU  43  -7.418  -3.993  -9.184
  306    H    SER  44           HN       SER  44  -6.495   1.497  -7.850
  307    HA   SER  44           HA       SER  44  -9.403   2.193  -8.020
  308   1HB   SER  44           HB2      SER  44  -8.997   3.680  -6.091
  309   2HB   SER  44           HB1      SER  44  -8.537   2.025  -5.710
  310    HG   SER  44           HG       SER  44  -7.042   4.221  -5.659
  311    H    ASN  45           HN       ASN  45  -7.169   2.617 -10.045
  312    HA   ASN  45           HA       ASN  45  -6.585   4.320 -11.549
  313   1HB   ASN  45           HB2      ASN  45  -9.038   5.358 -10.221
  314   2HB   ASN  45           HB1      ASN  45  -8.008   6.554 -11.001
  315   1HD2  ASN  45          HD22      ASN  45 -10.318   5.286 -13.625
  316   2HD2  ASN  45          HD21      ASN  45 -10.482   6.154 -12.177
  317    H    GLY  46           HN       GLY  46  -5.749   4.153  -8.515
  318   1HA   GLY  46           HA2      GLY  46  -4.086   5.185  -7.251
  319   2HA   GLY  46           HA1      GLY  46  -3.705   6.174  -8.651
  320    H    THR  47           HN       THR  47  -6.951   6.123  -7.399
  321    HA   THR  47           HA       THR  47  -6.765   8.992  -6.781
  322    HB   THR  47           HB       THR  47  -9.148   8.924  -6.579
  323    HG1  THR  47           HG1      THR  47 -10.163   7.215  -5.887
  324   1HG2  THR  47          HG22      THR  47  -8.216   6.939  -8.668
  325   2HG2  THR  47          HG21      THR  47  -9.834   7.638  -8.624
  326   3HG2  THR  47          HG23      THR  47  -8.432   8.676  -8.880
  327    H    LEU  48           HN       LEU  48  -6.265   6.084  -5.130
  328    HA   LEU  48           HA       LEU  48  -7.191   7.016  -2.512
  329   1HB   LEU  48           HB2      LEU  48  -7.378   4.680  -2.742
  330   2HB   LEU  48           HB1      LEU  48  -5.832   4.547  -3.576
  331    HG   LEU  48           HG       LEU  48  -4.659   5.159  -1.476
  332   1HD1  LEU  48          HD11      LEU  48  -7.141   6.124  -0.727
  333   2HD1  LEU  48          HD13      LEU  48  -6.957   4.669   0.252
  334   3HD1  LEU  48          HD12      LEU  48  -5.740   5.945   0.330
  335   1HD2  LEU  48          HD23      LEU  48  -6.378   2.762  -1.786
  336   2HD2  LEU  48          HD22      LEU  48  -4.637   2.873  -1.521
  337   3HD2  LEU  48          HD21      LEU  48  -5.748   3.042  -0.162
  338    H    THR  49           HN       THR  49  -5.904   8.044  -1.027
  339    HA   THR  49           HA       THR  49  -3.004   8.314  -1.708
  340    HB   THR  49           HB       THR  49  -3.036  10.462  -0.550
  341    HG1  THR  49           HG1      THR  49  -4.981  11.207   0.347
  342   1HG2  THR  49          HG21      THR  49  -3.843  10.307  -2.944
  343   2HG2  THR  49          HG23      THR  49  -5.491  10.332  -2.314
  344   3HG2  THR  49          HG22      THR  49  -4.428  11.715  -2.055
  345    H    LEU  50           HN       LEU  50  -1.512   8.150   0.075
  346    HA   LEU  50           HA       LEU  50  -2.550   6.392   2.174
  347   1HB   LEU  50           HB2      LEU  50  -0.601   5.546   1.182
  348   2HB   LEU  50           HB1      LEU  50   0.141   7.135   1.053
  349    HG   LEU  50           HG       LEU  50   0.240   7.123   3.618
  350   1HD1  LEU  50          HD11      LEU  50  -1.418   5.083   3.539
  351   2HD1  LEU  50          HD13      LEU  50   0.055   4.143   3.303
  352   3HD1  LEU  50          HD12      LEU  50  -0.143   5.120   4.758
  353   1HD2  LEU  50          HD21      LEU  50   1.952   6.216   1.640
  354   2HD2  LEU  50          HD23      LEU  50   2.390   6.486   3.328
  355   3HD2  LEU  50          HD22      LEU  50   1.920   4.875   2.786
  356    H    SER  51           HN       SER  51  -1.756   6.766   4.435
  357    HA   SER  51           HA       SER  51  -1.975   9.600   5.177
  358   1HB   SER  51           HB2      SER  51  -2.702   8.665   7.242
  359   2HB   SER  51           HB1      SER  51  -3.569   7.805   6.072
  360    HG   SER  51           HG       SER  51  -2.289   6.774   7.908
  361    H    HIS  52           HN       HIS  52  -0.310   6.599   5.871
  362    HA   HIS  52           HA       HIS  52   2.318   7.768   6.145
  363   1HB   HIS  52           HB2      HIS  52   2.600   7.495   8.560
  364   2HB   HIS  52           HB1      HIS  52   1.221   8.564   8.276
  365    HD1  HIS  52           HD1      HIS  52   1.355   6.832  10.892
  366    HD2  HIS  52           HD2      HIS  52  -0.607   5.697   7.392
  367    HE1  HIS  52           HE1      HIS  52  -0.366   5.078  11.544
  368    H    PHE  53           HN       PHE  53   3.904   6.072   6.721
  369    HA   PHE  53           HA       PHE  53   2.986   3.416   5.880
  370   1HB   PHE  53           HB2      PHE  53   5.704   4.473   6.692
  371   2HB   PHE  53           HB1      PHE  53   5.391   2.804   6.218
  372    HD1  PHE  53           HD2      PHE  53   4.663   6.277   4.996
  373    HD2  PHE  53           HD1      PHE  53   5.725   2.240   3.983
  374    HE1  PHE  53           HE2      PHE  53   4.841   6.922   2.609
  375    HE2  PHE  53           HE1      PHE  53   5.906   2.886   1.595
  376    HZ   PHE  53           HZ       PHE  53   5.463   5.228   0.908
  377    H    GLY  54           HN       GLY  54   1.890   2.358   7.455
  378   1HA   GLY  54           HA2      GLY  54   2.903   0.977   9.533
  379   2HA   GLY  54           HA1      GLY  54   2.661   2.543  10.259
  380    H    LYS  55           HN       LYS  55   1.202   0.902  11.487
  381    HA   LYS  55           HA       LYS  55  -1.399   0.465  10.198
  382   1HB   LYS  55           HB2      LYS  55  -1.776  -0.030  12.913
  383   2HB   LYS  55           HB1      LYS  55  -1.408  -1.239  11.688
  384   1HG   LYS  55           HG2      LYS  55   0.958  -1.078  12.147
  385   2HG   LYS  55           HG1      LYS  55   0.709   0.316  13.197
  386   1HD   LYS  55           HD2      LYS  55  -0.983  -1.568  14.296
  387   2HD   LYS  55           HD1      LYS  55   0.398  -2.541  13.789
  388   1HE   LYS  55           HE2      LYS  55   0.308  -0.266  15.749
  389   2HE   LYS  55           HE1      LYS  55   1.061  -1.851  15.921
  390   1HZ   LYS  55           HZ1      LYS  55   2.474  -0.978  13.913
  391   2HZ   LYS  55           HZ3      LYS  55   2.044   0.537  14.542
  392   3HZ   LYS  55           HZ2      LYS  55   2.883  -0.576  15.512
  393    H    CYS  56           HN       CYS  56  -3.194   1.705  10.475
  394    HA   CYS  56           HA       CYS  56  -3.105   4.397  11.107
  395   1HB   CYS  56           HB2      CYS  56  -5.491   2.678  11.823
  396   2HB   CYS  56           HB1      CYS  56  -5.490   4.361  11.302
   
  No H/Q in entry =         396
  Start of MODEL          19
 Raw file had  401 H/Q atoms
  Start of MODEL   19
    1   1H    LEU   1           HT3      LEU   1   6.965  20.401   3.720
    2   2H    LEU   1           HT2      LEU   1   5.915  19.802   4.915
    3   3H    LEU   1           HT1      LEU   1   7.533  20.153   5.298
    4    HA   LEU   1           HA       LEU   1   8.290  18.209   4.538
    5   1HB   LEU   1           HB2      LEU   1   5.304  17.682   4.634
    6   2HB   LEU   1           HB1      LEU   1   6.526  16.415   4.512
    7    HG   LEU   1           HG       LEU   1   6.701  18.472   6.700
    8   1HD1  LEU   1          HD11      LEU   1   4.389  17.350   6.618
    9   2HD1  LEU   1          HD13      LEU   1   5.233  15.847   6.993
   10   3HD1  LEU   1          HD12      LEU   1   5.290  17.196   8.127
   11   1HD2  LEU   1          HD23      LEU   1   7.994  15.961   5.929
   12   2HD2  LEU   1          HD22      LEU   1   8.551  17.211   7.042
   13   3HD2  LEU   1          HD21      LEU   1   7.452  15.953   7.607
   14    H    ALA   2           HN       ALA   2   7.344  16.252   2.831
   15    HA   ALA   2           HA       ALA   2   7.160  17.718   0.228
   16   1HB   ALA   2           HB1      ALA   2   8.521  15.096   0.911
   17   2HB   ALA   2           HB3      ALA   2   8.294  15.683  -0.737
   18   3HB   ALA   2           HB2      ALA   2   9.297  16.593   0.392
   19    H    ALA   3           HN       ALA   3   6.874  14.240   0.537
   20    HA   ALA   3           HA       ALA   3   3.922  14.393   0.382
   21   1HB   ALA   3           HB1      ALA   3   4.855  14.521  -1.972
   22   2HB   ALA   3           HB3      ALA   3   5.519  12.907  -1.719
   23   3HB   ALA   3           HB2      ALA   3   3.775  13.159  -1.677
   24    H    VAL   4           HN       VAL   4   2.915  12.430   1.000
   25    HA   VAL   4           HA       VAL   4   4.785  10.327   2.015
   26    HB   VAL   4           HB       VAL   4   2.981   9.940   3.786
   27   1HG1  VAL   4          HG12      VAL   4   5.204  11.275   3.992
   28   2HG1  VAL   4          HG11      VAL   4   4.171  12.704   3.965
   29   3HG1  VAL   4          HG13      VAL   4   3.979  11.502   5.242
   30   1HG2  VAL   4          HG22      VAL   4   1.591  11.772   2.208
   31   2HG2  VAL   4          HG21      VAL   4   1.134  11.248   3.829
   32   3HG2  VAL   4          HG23      VAL   4   2.086  12.717   3.612
   33    H    SER   5           HN       SER   5   4.526   8.747   0.462
   34    HA   SER   5           HA       SER   5   1.973   7.360   0.345
   35   1HB   SER   5           HB2      SER   5   2.744   8.090  -2.394
   36   2HB   SER   5           HB1      SER   5   1.149   8.069  -1.644
   37    HG   SER   5           HG       SER   5   2.943  10.125  -1.958
   38    H    VAL   6           HN       VAL   6   2.166   5.458  -1.234
   39    HA   VAL   6           HA       VAL   6   5.000   4.512  -1.226
   40    HB   VAL   6           HB       VAL   6   2.367   3.026  -1.140
   41   1HG1  VAL   6          HG11      VAL   6   5.174   1.949  -1.516
   42   2HG1  VAL   6          HG13      VAL   6   3.775   0.957  -1.104
   43   3HG1  VAL   6          HG12      VAL   6   3.830   1.804  -2.650
   44   1HG2  VAL   6          HG22      VAL   6   4.520   3.722   0.768
   45   2HG2  VAL   6          HG21      VAL   6   2.814   3.395   1.069
   46   3HG2  VAL   6          HG23      VAL   6   3.944   2.058   0.859
   47    H    ASP   7           HN       ASP   7   5.491   2.980  -3.089
   48    HA   ASP   7           HA       ASP   7   4.286   4.089  -5.585
   49   1HB   ASP   7           HB2      ASP   7   6.762   4.386  -5.215
   50   2HB   ASP   7           HB1      ASP   7   6.924   2.630  -5.279
   51    H    CYS   8           HN       CYS   8   3.402   2.677  -7.093
   52    HA   CYS   8           HA       CYS   8   3.724  -0.236  -6.695
   53   1HB   CYS   8           HB2      CYS   8   0.945   0.914  -6.920
   54   2HB   CYS   8           HB1      CYS   8   1.424  -0.701  -6.406
   55    H    SER   9           HN       SER   9   4.841   0.967  -8.803
   56    HA   SER   9           HA       SER   9   2.939   1.121 -11.040
   57   1HB   SER   9           HB2      SER   9   5.031   2.590 -10.764
   58   2HB   SER   9           HB1      SER   9   5.950   1.173 -11.262
   59    HG   SER   9           HG       SER   9   5.130   2.773 -12.920
   60    H    GLU  10           HN       GLU  10   4.040  -1.405  -9.429
   61    HA   GLU  10           HA       GLU  10   4.400  -3.079 -11.886
   62   1HB   GLU  10           HB2      GLU  10   5.450  -3.546  -9.076
   63   2HB   GLU  10           HB1      GLU  10   5.607  -4.688 -10.410
   64   1HG   GLU  10           HG2      GLU  10   7.647  -3.546 -10.505
   65   2HG   GLU  10           HG1      GLU  10   6.673  -2.660 -11.679
   66    H    TYR  11           HN       TYR  11   2.263  -2.227  -9.531
   67    HA   TYR  11           HA       TYR  11   1.111  -4.856  -8.999
   68   1HB   TYR  11           HB2      TYR  11   0.555  -2.002  -8.206
   69   2HB   TYR  11           HB1      TYR  11  -0.618  -3.256  -7.840
   70    HD1  TYR  11           HD1      TYR  11  -0.014  -5.148  -6.328
   71    HD2  TYR  11           HD2      TYR  11   2.719  -1.934  -7.140
   72    HE1  TYR  11           HE1      TYR  11   1.403  -5.858  -4.408
   73    HE2  TYR  11           HE2      TYR  11   4.121  -2.641  -5.223
   74    HH   TYR  11           HH       TYR  11   3.724  -5.646  -3.673
   75    HA   PRO  12           HA       PRO  12  -1.086  -4.904  -8.178
   76   1HB   PRO  12           HB2      PRO  12  -3.173  -6.600  -8.748
   77   2HB   PRO  12           HB1      PRO  12  -3.383  -4.879  -8.396
   78   1HG   PRO  12           HG2      PRO  12  -3.680  -6.283 -10.977
   79   2HG   PRO  12           HG1      PRO  12  -4.256  -4.675 -10.510
   80   1HD   PRO  12           HD2      PRO  12  -1.912  -5.344 -12.043
   81   2HD   PRO  12           HD1      PRO  12  -2.500  -3.737 -11.685
   82    H    LYS  13           HN       LYS  13  -0.662  -6.998  -7.226
   83    HA   LYS  13           HA       LYS  13   0.417  -9.026  -9.142
   84   1HB   LYS  13           HB2      LYS  13   1.585  -8.174  -6.477
   85   2HB   LYS  13           HB1      LYS  13   2.213  -9.461  -7.502
   86   1HG   LYS  13           HG2      LYS  13   3.082  -8.001  -9.048
   87   2HG   LYS  13           HG1      LYS  13   1.814  -6.804  -8.779
   88   1HD   LYS  13           HD2      LYS  13   3.089  -5.691  -7.296
   89   2HD   LYS  13           HD1      LYS  13   3.393  -7.166  -6.378
   90   1HE   LYS  13           HE2      LYS  13   4.841  -6.545  -8.958
   91   2HE   LYS  13           HE1      LYS  13   5.450  -6.027  -7.386
   92   1HZ   LYS  13           HZ3      LYS  13   5.192  -8.437  -6.710
   93   2HZ   LYS  13           HZ2      LYS  13   5.020  -8.785  -8.365
   94   3HZ   LYS  13           HZ1      LYS  13   6.455  -8.083  -7.787
   95    HA   PRO  14           HA       PRO  14  -2.260 -11.655  -6.755
   96   1HB   PRO  14           HB2      PRO  14  -1.581 -13.997  -8.018
   97   2HB   PRO  14           HB1      PRO  14  -2.664 -12.783  -8.720
   98   1HG   PRO  14           HG2      PRO  14   0.153 -13.416  -9.433
   99   2HG   PRO  14           HG1      PRO  14  -1.114 -12.678 -10.424
  100   1HD   PRO  14           HD2      PRO  14   1.023 -11.329  -9.168
  101   2HD   PRO  14           HD1      PRO  14  -0.373 -10.575  -9.901
  102    H    ALA  15           HN       ALA  15   0.806 -11.199  -6.161
  103    HA   ALA  15           HA       ALA  15   0.962 -13.390  -4.163
  104   1HB   ALA  15           HB1      ALA  15   2.728 -13.025  -6.479
  105   2HB   ALA  15           HB3      ALA  15   3.599 -13.097  -4.947
  106   3HB   ALA  15           HB2      ALA  15   2.538 -14.424  -5.421
  107    H    CYS  16           HN       CYS  16   0.769 -12.036  -2.388
  108    HA   CYS  16           HA       CYS  16   2.244  -9.493  -2.307
  109   1HB   CYS  16           HB2      CYS  16   0.523 -10.868  -0.218
  110   2HB   CYS  16           HB1      CYS  16   1.190  -9.242  -0.075
  111    H    THR  17           HN       THR  17   4.052  -9.088  -1.019
  112    HA   THR  17           HA       THR  17   5.851 -11.210  -0.477
  113    HB   THR  17           HB       THR  17   7.187  -9.587   0.702
  114    HG1  THR  17           HG1      THR  17   6.080  -7.501   1.144
  115   1HG2  THR  17          HG23      THR  17   6.072  -9.102  -1.835
  116   2HG2  THR  17          HG22      THR  17   6.035  -7.549  -1.000
  117   3HG2  THR  17          HG21      THR  17   7.560  -8.416  -1.182
  118    H    LEU  18           HN       LEU  18   6.683 -10.871   2.205
  119    HA   LEU  18           HA       LEU  18   4.246 -11.748   3.685
  120   1HB   LEU  18           HB2      LEU  18   5.524 -13.473   4.808
  121   2HB   LEU  18           HB1      LEU  18   5.745 -13.671   3.071
  122    HG   LEU  18           HG       LEU  18   7.723 -11.863   4.228
  123   1HD1  LEU  18          HD11      LEU  18   7.193 -13.552   6.122
  124   2HD1  LEU  18          HD13      LEU  18   7.952 -14.749   5.072
  125   3HD1  LEU  18          HD12      LEU  18   8.880 -13.361   5.642
  126   1HD2  LEU  18          HD23      LEU  18   7.665 -14.344   2.517
  127   2HD2  LEU  18          HD22      LEU  18   8.146 -12.708   2.067
  128   3HD2  LEU  18          HD21      LEU  18   9.196 -13.684   3.094
  129    H    GLU  19           HN       GLU  19   7.302 -10.006   3.768
  130    HA   GLU  19           HA       GLU  19   7.587  -9.513   6.514
  131   1HB   GLU  19           HB2      GLU  19   8.204  -7.074   5.634
  132   2HB   GLU  19           HB1      GLU  19   9.248  -8.449   5.277
  133   1HG   GLU  19           HG2      GLU  19   7.031  -8.034   3.364
  134   2HG   GLU  19           HG1      GLU  19   8.257  -6.768   3.373
  135    H    TYR  20           HN       TYR  20   6.787  -7.512   7.750
  136    HA   TYR  20           HA       TYR  20   3.980  -6.978   6.892
  137   1HB   TYR  20           HB2      TYR  20   4.245  -8.218   9.056
  138   2HB   TYR  20           HB1      TYR  20   5.059  -6.793   9.712
  139    HD1  TYR  20           HD2      TYR  20   2.169  -7.017   7.351
  140    HD2  TYR  20           HD1      TYR  20   3.534  -5.853  11.255
  141    HE1  TYR  20           HE2      TYR  20  -0.022  -5.950   7.792
  142    HE2  TYR  20           HE1      TYR  20   1.339  -4.785  11.698
  143    HH   TYR  20           HH       TYR  20  -1.140  -5.200  10.717
  144    H    ARG  21           HN       ARG  21   3.692  -5.013   6.118
  145    HA   ARG  21           HA       ARG  21   4.904  -2.689   7.509
  146   1HB   ARG  21           HB2      ARG  21   4.913  -2.934   4.485
  147   2HB   ARG  21           HB1      ARG  21   5.682  -1.684   5.465
  148   1HG   ARG  21           HG2      ARG  21   6.440  -4.582   5.796
  149   2HG   ARG  21           HG1      ARG  21   7.175  -3.595   4.532
  150   1HD   ARG  21           HD2      ARG  21   7.258  -3.122   7.519
  151   2HD   ARG  21           HD1      ARG  21   8.618  -3.435   6.440
  152    HE   ARG  21           HE       ARG  21   8.072  -1.182   5.391
  153   1HH1  ARG  21          HH21      ARG  21   8.584  -1.626   8.606
  154   2HH1  ARG  21          HH22      ARG  21   7.801  -0.178   9.146
  155   1HH2  ARG  21          HH11      ARG  21   6.395   0.529   6.055
  156   2HH2  ARG  21          HH12      ARG  21   6.564   1.044   7.701
  157    HA   PRO  22           HA       PRO  22   0.393  -2.447   6.682
  158   1HB   PRO  22           HB2      PRO  22  -0.107  -1.065   9.030
  159   2HB   PRO  22           HB1      PRO  22  -0.123  -2.836   8.879
  160   1HG   PRO  22           HG2      PRO  22   1.999  -1.053  10.028
  161   2HG   PRO  22           HG1      PRO  22   1.543  -2.702  10.497
  162   1HD   PRO  22           HD2      PRO  22   3.778  -2.101   8.965
  163   2HD   PRO  22           HD1      PRO  22   2.945  -3.672   8.930
  164    H    LEU  23           HN       LEU  23   0.179  -0.945   5.074
  165    HA   LEU  23           HA       LEU  23   1.117   1.830   5.636
  166   1HB   LEU  23           HB2      LEU  23   0.163   0.704   2.996
  167   2HB   LEU  23           HB1      LEU  23   1.133   2.154   3.269
  168    HG   LEU  23           HG       LEU  23   2.334  -0.240   4.446
  169   1HD1  LEU  23          HD13      LEU  23   1.102  -0.643   1.969
  170   2HD1  LEU  23          HD12      LEU  23   2.798  -0.356   1.584
  171   3HD1  LEU  23          HD11      LEU  23   2.351  -1.651   2.695
  172   1HD2  LEU  23          HD22      LEU  23   3.048   2.235   3.091
  173   2HD2  LEU  23          HD21      LEU  23   3.987   1.274   4.233
  174   3HD2  LEU  23          HD23      LEU  23   4.009   0.873   2.516
  175    H    CYS  24           HN       CYS  24  -0.389   3.281   6.227
  176    HA   CYS  24           HA       CYS  24  -3.239   2.605   6.036
  177   1HB   CYS  24           HB2      CYS  24  -2.740   3.750   8.035
  178   2HB   CYS  24           HB1      CYS  24  -1.632   4.842   7.240
  179    H    GLY  25           HN       GLY  25  -4.668   3.453   4.557
  180   1HA   GLY  25           HA2      GLY  25  -3.732   4.695   2.137
  181   2HA   GLY  25           HA1      GLY  25  -5.347   4.547   2.625
  182    H    SER  26           HN       SER  26  -5.195   6.954   1.618
  183    HA   SER  26           HA       SER  26  -4.268   8.788   3.774
  184   1HB   SER  26           HB2      SER  26  -5.426  10.385   1.865
  185   2HB   SER  26           HB1      SER  26  -3.726   9.942   1.891
  186    HG   SER  26           HG       SER  26  -5.770   9.148   0.252
  187    H    ASP  27           HN       ASP  27  -6.904   6.964   3.434
  188    HA   ASP  27           HA       ASP  27  -8.748   9.120   4.376
  189   1HB   ASP  27           HB2      ASP  27 -10.598   7.815   3.572
  190   2HB   ASP  27           HB1      ASP  27  -9.409   7.869   2.271
  191    H    ASN  28           HN       ASN  28  -7.371   5.974   5.045
  192    HA   ASN  28           HA       ASN  28  -7.032   5.644   7.570
  193   1HB   ASN  28           HB2      ASN  28  -8.970   6.979   8.254
  194   2HB   ASN  28           HB1      ASN  28 -10.058   5.823   7.482
  195   1HD2  ASN  28          HD22      ASN  28 -10.226   3.989  10.477
  196   2HD2  ASN  28          HD21      ASN  28 -11.042   4.656   9.147
  197    H    LYS  29           HN       LYS  29  -7.167   4.093   5.048
  198    HA   LYS  29           HA       LYS  29  -8.437   1.594   6.092
  199   1HB   LYS  29           HB2      LYS  29  -7.477   1.662   3.275
  200   2HB   LYS  29           HB1      LYS  29  -8.933   0.956   3.959
  201   1HG   LYS  29           HG2      LYS  29  -9.790   3.318   4.309
  202   2HG   LYS  29           HG1      LYS  29  -8.443   3.860   3.308
  203   1HD   LYS  29           HD2      LYS  29 -10.208   1.656   2.296
  204   2HD   LYS  29           HD1      LYS  29 -10.786   3.320   2.206
  205   1HE   LYS  29           HE2      LYS  29  -9.187   3.939   0.669
  206   2HE   LYS  29           HE1      LYS  29  -8.002   2.782   1.276
  207   1HZ   LYS  29           HZ3      LYS  29  -9.765   1.082   0.388
  208   2HZ   LYS  29           HZ2      LYS  29 -10.198   2.380  -0.620
  209   3HZ   LYS  29           HZ1      LYS  29  -8.613   1.768  -0.653
  210    H    THR  30           HN       THR  30  -6.874   0.518   7.230
  211    HA   THR  30           HA       THR  30  -4.057   0.668   6.518
  212    HB   THR  30           HB       THR  30  -5.609  -1.011   8.500
  213    HG1  THR  30           HG1      THR  30  -4.303   0.313   9.920
  214   1HG2  THR  30          HG21      THR  30  -3.599  -2.245   7.591
  215   2HG2  THR  30          HG23      THR  30  -2.594  -0.918   8.173
  216   3HG2  THR  30          HG22      THR  30  -3.508  -1.899   9.317
  217    H    TYR  31           HN       TYR  31  -2.867  -0.779   5.354
  218    HA   TYR  31           HA       TYR  31  -4.287  -3.188   4.295
  219   1HB   TYR  31           HB2      TYR  31  -2.413  -1.240   2.964
  220   2HB   TYR  31           HB1      TYR  31  -2.556  -2.896   2.365
  221    HD1  TYR  31           HD1      TYR  31  -4.466   0.225   3.066
  222    HD2  TYR  31           HD2      TYR  31  -4.496  -3.628   1.176
  223    HE1  TYR  31           HE1      TYR  31  -6.572   0.811   1.897
  224    HE2  TYR  31           HE2      TYR  31  -6.600  -3.045   0.012
  225    HH   TYR  31           HH       TYR  31  -8.447  -1.540   0.201
  226    H    GLY  32           HN       GLY  32  -3.282  -5.102   4.696
  227   1HA   GLY  32           HA2      GLY  32  -1.507  -5.560   6.671
  228   2HA   GLY  32           HA1      GLY  32  -1.518  -6.599   5.262
  229    H    ASN  33           HN       ASN  33  -0.355  -5.253   3.280
  230    HA   ASN  33           HA       ASN  33   1.989  -3.809   4.298
  231   1HB   ASN  33           HB2      ASN  33   3.575  -5.373   3.075
  232   2HB   ASN  33           HB1      ASN  33   2.882  -5.988   4.556
  233   1HD2  ASN  33          HD22      ASN  33   2.570  -8.494   1.721
  234   2HD2  ASN  33          HD21      ASN  33   3.883  -7.581   2.286
  235    H    LYS  34           HN       LYS  34   3.589  -3.805   2.144
  236    HA   LYS  34           HA       LYS  34   2.523  -1.878   0.466
  237   1HB   LYS  34           HB2      LYS  34   4.515  -2.107  -0.727
  238   2HB   LYS  34           HB1      LYS  34   4.942  -2.747   0.845
  239   1HG   LYS  34           HG2      LYS  34   4.561  -5.041   0.047
  240   2HG   LYS  34           HG1      LYS  34   4.075  -4.418  -1.532
  241   1HD   LYS  34           HD2      LYS  34   6.716  -3.509  -0.510
  242   2HD   LYS  34           HD1      LYS  34   6.601  -5.197  -1.010
  243   1HE   LYS  34           HE2      LYS  34   7.270  -3.836  -2.923
  244   2HE   LYS  34           HE1      LYS  34   5.638  -4.449  -3.187
  245   1HZ   LYS  34           HZ3      LYS  34   6.075  -1.820  -1.920
  246   2HZ   LYS  34           HZ2      LYS  34   6.105  -1.978  -3.612
  247   3HZ   LYS  34           HZ1      LYS  34   4.706  -2.393  -2.741
  248    H    CYS  35           HN       CYS  35   2.386  -5.416  -0.032
  249    HA   CYS  35           HA       CYS  35   1.458  -5.170  -2.726
  250   1HB   CYS  35           HB2      CYS  35   2.452  -7.254  -2.077
  251   2HB   CYS  35           HB1      CYS  35   1.305  -7.449  -0.751
  252    H    ASN  36           HN       ASN  36  -0.247  -5.579   0.369
  253    HA   ASN  36           HA       ASN  36  -2.851  -5.734  -0.903
  254   1HB   ASN  36           HB2      ASN  36  -1.910  -5.302   1.933
  255   2HB   ASN  36           HB1      ASN  36  -3.618  -5.205   1.512
  256   1HD2  ASN  36          HD22      ASN  36  -1.734  -8.841   1.443
  257   2HD2  ASN  36          HD21      ASN  36  -0.819  -7.416   1.535
  258    H    PHE  37           HN       PHE  37  -0.817  -3.167   0.327
  259    HA   PHE  37           HA       PHE  37  -2.866  -1.096   0.208
  260   1HB   PHE  37           HB2      PHE  37  -0.750  -1.095   1.600
  261   2HB   PHE  37           HB1      PHE  37   0.130  -0.636   0.235
  262    HD1  PHE  37           HD1      PHE  37  -2.828   0.479   2.206
  263    HD2  PHE  37           HD2      PHE  37   0.229   1.401  -0.624
  264    HE1  PHE  37           HE1      PHE  37  -3.541   2.832   2.244
  265    HE2  PHE  37           HE2      PHE  37  -0.454   3.770  -0.629
  266    HZ   PHE  37           HZ       PHE  37  -2.337   4.531   0.819
  267    H    CYS  38           HN       CYS  38  -0.445  -2.412  -1.770
  268    HA   CYS  38           HA       CYS  38  -0.602  -0.246  -3.760
  269   1HB   CYS  38           HB2      CYS  38   0.887  -2.861  -3.596
  270   2HB   CYS  38           HB1      CYS  38   0.750  -2.024  -5.138
  271    H    ASN  39           HN       ASN  39  -2.015  -3.397  -3.208
  272    HA   ASN  39           HA       ASN  39  -3.112  -3.725  -5.876
  273   1HB   ASN  39           HB2      ASN  39  -3.646  -4.995  -3.185
  274   2HB   ASN  39           HB1      ASN  39  -4.672  -5.352  -4.575
  275   1HD2  ASN  39          HD22      ASN  39  -1.754  -7.767  -4.432
  276   2HD2  ASN  39          HD21      ASN  39  -2.914  -7.305  -3.282
  277    H    ALA  40           HN       ALA  40  -3.911  -1.894  -3.076
  278    HA   ALA  40           HA       ALA  40  -6.708  -1.481  -3.920
  279   1HB   ALA  40           HB2      ALA  40  -5.032  -0.447  -1.619
  280   2HB   ALA  40           HB1      ALA  40  -6.636   0.198  -1.964
  281   3HB   ALA  40           HB3      ALA  40  -6.441  -1.504  -1.543
  282    H    VAL  41           HN       VAL  41  -3.569   0.066  -3.966
  283    HA   VAL  41           HA       VAL  41  -4.447   2.659  -4.893
  284    HB   VAL  41           HB       VAL  41  -1.788   1.228  -5.254
  285   1HG1  VAL  41          HG13      VAL  41  -2.173   3.119  -6.830
  286   2HG1  VAL  41          HG12      VAL  41  -2.464   4.177  -5.449
  287   3HG1  VAL  41          HG11      VAL  41  -0.875   3.448  -5.683
  288   1HG2  VAL  41          HG23      VAL  41  -2.961   2.009  -2.896
  289   2HG2  VAL  41          HG22      VAL  41  -1.220   1.895  -3.155
  290   3HG2  VAL  41          HG21      VAL  41  -2.037   3.449  -3.329
  291    H    VAL  42           HN       VAL  42  -3.650  -0.401  -6.390
  292    HA   VAL  42           HA       VAL  42  -3.754   0.661  -9.119
  293    HB   VAL  42           HB       VAL  42  -3.485  -1.714  -9.774
  294   1HG1  VAL  42          HG11      VAL  42  -1.647  -0.128  -8.452
  295   2HG1  VAL  42          HG13      VAL  42  -1.559  -1.655  -7.573
  296   3HG1  VAL  42          HG12      VAL  42  -1.275  -1.622  -9.313
  297   1HG2  VAL  42          HG21      VAL  42  -4.137  -2.104  -6.885
  298   2HG2  VAL  42          HG23      VAL  42  -4.649  -3.048  -8.282
  299   3HG2  VAL  42          HG22      VAL  42  -3.014  -3.227  -7.646
  300    H    GLU  43           HN       GLU  43  -5.872  -0.983  -6.852
  301    HA   GLU  43           HA       GLU  43  -7.969  -1.293  -8.919
  302   1HB   GLU  43           HB2      GLU  43  -7.335  -2.850  -6.758
  303   2HB   GLU  43           HB1      GLU  43  -8.641  -1.877  -6.106
  304   1HG   GLU  43           HG2      GLU  43  -9.607  -2.531  -8.597
  305   2HG   GLU  43           HG1      GLU  43  -8.732  -3.992  -8.137
  306    H    SER  44           HN       SER  44  -6.919   1.322  -7.498
  307    HA   SER  44           HA       SER  44  -9.672   2.395  -7.054
  308   1HB   SER  44           HB2      SER  44  -8.817   2.121  -4.831
  309   2HB   SER  44           HB1      SER  44  -7.244   2.770  -5.286
  310    HG   SER  44           HG       SER  44  -9.545   4.324  -5.680
  311    H    ASN  45           HN       ASN  45  -7.151   2.538  -9.030
  312    HA   ASN  45           HA       ASN  45  -6.455   4.168 -10.570
  313   1HB   ASN  45           HB2      ASN  45  -8.962   5.241  -9.494
  314   2HB   ASN  45           HB1      ASN  45  -7.818   6.500  -9.931
  315   1HD2  ASN  45          HD22      ASN  45  -7.878   5.692 -13.414
  316   2HD2  ASN  45          HD21      ASN  45  -6.916   6.381 -12.200
  317    H    GLY  46           HN       GLY  46  -5.740   4.018  -7.492
  318   1HA   GLY  46           HA2      GLY  46  -3.912   4.977  -6.332
  319   2HA   GLY  46           HA1      GLY  46  -3.729   6.140  -7.647
  320    H    THR  47           HN       THR  47  -6.943   5.968  -6.600
  321    HA   THR  47           HA       THR  47  -6.763   8.633  -5.430
  322    HB   THR  47           HB       THR  47  -9.009   6.709  -6.032
  323    HG1  THR  47           HG1      THR  47  -8.794   7.821  -7.791
  324   1HG2  THR  47          HG23      THR  47  -9.010   9.169  -4.329
  325   2HG2  THR  47          HG22      THR  47 -10.415   8.812  -5.334
  326   3HG2  THR  47          HG21      THR  47  -9.891   7.657  -4.109
  327    H    LEU  48           HN       LEU  48  -6.171   5.603  -4.216
  328    HA   LEU  48           HA       LEU  48  -7.515   5.886  -1.638
  329   1HB   LEU  48           HB2      LEU  48  -7.170   3.635  -2.106
  330   2HB   LEU  48           HB1      LEU  48  -5.617   3.932  -2.882
  331    HG   LEU  48           HG       LEU  48  -4.505   4.192  -0.788
  332   1HD1  LEU  48          HD13      LEU  48  -7.199   4.869   0.133
  333   2HD1  LEU  48          HD12      LEU  48  -6.352   3.795   1.245
  334   3HD1  LEU  48          HD11      LEU  48  -5.639   5.341   0.797
  335   1HD2  LEU  48          HD21      LEU  48  -5.495   1.840  -1.512
  336   2HD2  LEU  48          HD23      LEU  48  -4.678   2.030   0.038
  337   3HD2  LEU  48          HD22      LEU  48  -6.440   2.030  -0.034
  338    H    THR  49           HN       THR  49  -4.169   5.969  -2.706
  339    HA   THR  49           HA       THR  49  -2.259   6.971  -1.877
  340    HB   THR  49           HB       THR  49  -3.195   9.137  -0.436
  341    HG1  THR  49           HG1      THR  49  -5.012   9.815  -1.404
  342   1HG2  THR  49          HG21      THR  49  -1.552   8.876  -2.424
  343   2HG2  THR  49          HG23      THR  49  -2.970   9.209  -3.420
  344   3HG2  THR  49          HG22      THR  49  -2.424  10.398  -2.237
  345    H    LEU  50           HN       LEU  50  -1.243   7.725   0.256
  346    HA   LEU  50           HA       LEU  50  -2.328   6.101   2.487
  347   1HB   LEU  50           HB2      LEU  50  -0.289   5.191   1.586
  348   2HB   LEU  50           HB1      LEU  50   0.462   6.780   1.520
  349    HG   LEU  50           HG       LEU  50  -0.349   6.261   4.210
  350   1HD1  LEU  50          HD12      LEU  50   0.549   3.962   2.684
  351   2HD1  LEU  50          HD11      LEU  50   1.628   4.316   4.033
  352   3HD1  LEU  50          HD13      LEU  50  -0.088   4.034   4.326
  353   1HD2  LEU  50          HD21      LEU  50   1.678   7.527   2.897
  354   2HD2  LEU  50          HD23      LEU  50   1.744   7.116   4.611
  355   3HD2  LEU  50          HD22      LEU  50   2.500   6.057   3.420
  356    H    SER  51           HN       SER  51  -1.983   6.976   4.656
  357    HA   SER  51           HA       SER  51  -1.845   9.950   4.664
  358   1HB   SER  51           HB2      SER  51  -3.700   8.101   5.883
  359   2HB   SER  51           HB1      SER  51  -2.825   8.911   7.122
  360    HG   SER  51           HG       SER  51  -4.474  10.251   6.652
  361    H    HIS  52           HN       HIS  52  -0.566   6.975   5.906
  362    HA   HIS  52           HA       HIS  52   1.873   8.202   6.798
  363   1HB   HIS  52           HB2      HIS  52   1.630   7.877   9.210
  364   2HB   HIS  52           HB1      HIS  52   0.354   8.952   8.636
  365    HD1  HIS  52           HD1      HIS  52   0.658   6.319  10.892
  366    HD2  HIS  52           HD2      HIS  52  -1.973   6.966   7.718
  367    HE1  HIS  52           HE1      HIS  52  -1.353   4.836  11.308
  368    H    PHE  53           HN       PHE  53   3.434   6.583   7.102
  369    HA   PHE  53           HA       PHE  53   2.701   3.916   6.245
  370   1HB   PHE  53           HB2      PHE  53   5.273   5.105   7.306
  371   2HB   PHE  53           HB1      PHE  53   5.119   3.410   6.838
  372    HD1  PHE  53           HD2      PHE  53   4.476   6.866   5.549
  373    HD2  PHE  53           HD1      PHE  53   5.426   2.787   4.594
  374    HE1  PHE  53           HE2      PHE  53   4.774   7.494   3.171
  375    HE2  PHE  53           HE1      PHE  53   5.725   3.416   2.213
  376    HZ   PHE  53           HZ       PHE  53   5.398   5.770   1.501
  377    H    GLY  54           HN       GLY  54   1.663   2.561   7.576
  378   1HA   GLY  54           HA2      GLY  54   2.473   1.270   9.782
  379   2HA   GLY  54           HA1      GLY  54   1.928   2.792  10.478
  380    H    LYS  55           HN       LYS  55   0.451   0.967  11.419
  381    HA   LYS  55           HA       LYS  55  -1.781   0.258   9.663
  382   1HB   LYS  55           HB2      LYS  55  -2.343  -0.233  12.458
  383   2HB   LYS  55           HB1      LYS  55  -2.188  -1.380  11.141
  384   1HG   LYS  55           HG2      LYS  55  -0.539  -1.998  12.706
  385   2HG   LYS  55           HG1      LYS  55   0.351  -1.210  11.441
  386   1HD   LYS  55           HD2      LYS  55   1.220   0.087  13.102
  387   2HD   LYS  55           HD1      LYS  55  -0.362   0.860  13.188
  388   1HE   LYS  55           HE2      LYS  55  -1.097  -0.796  14.854
  389   2HE   LYS  55           HE1      LYS  55   0.470  -1.601  14.754
  390   1HZ   LYS  55           HZ3      LYS  55   0.324   1.272  15.382
  391   2HZ   LYS  55           HZ2      LYS  55   0.054   0.124  16.606
  392   3HZ   LYS  55           HZ1      LYS  55   1.535   0.152  15.774
  393    H    CYS  56           HN       CYS  56  -2.993   2.039   9.173
  394    HA   CYS  56           HA       CYS  56  -3.422   4.359  10.623
  395   1HB   CYS  56           HB2      CYS  56  -4.597   3.163   8.369
  396   2HB   CYS  56           HB1      CYS  56  -5.939   3.492   9.464
   
  No H/Q in entry =         396
  Start of MODEL          20
 Raw file had  401 H/Q atoms
  Start of MODEL   20
    1   1H    LEU   1           HT3      LEU   1   8.273  13.067   8.669
    2   2H    LEU   1           HT2      LEU   1   8.255  14.137   9.989
    3   3H    LEU   1           HT1      LEU   1   7.627  12.566  10.156
    4    HA   LEU   1           HA       LEU   1   5.634  13.371   9.675
    5   1HB   LEU   1           HB2      LEU   1   7.193  15.707   9.853
    6   2HB   LEU   1           HB1      LEU   1   6.262  15.881   8.365
    7    HG   LEU   1           HG       LEU   1   4.535  14.791  10.366
    8   1HD1  LEU   1          HD13      LEU   1   6.334  17.026  11.254
    9   2HD1  LEU   1          HD12      LEU   1   4.658  17.000  11.799
   10   3HD1  LEU   1          HD11      LEU   1   5.729  15.651  12.177
   11   1HD2  LEU   1          HD21      LEU   1   4.284  16.440   8.276
   12   2HD2  LEU   1          HD23      LEU   1   3.128  16.464   9.608
   13   3HD2  LEU   1          HD22      LEU   1   4.419  17.663   9.539
   14    H    ALA   2           HN       ALA   2   4.540  14.677   7.544
   15    HA   ALA   2           HA       ALA   2   3.876  14.181   5.345
   16   1HB   ALA   2           HB3      ALA   2   6.883  14.445   5.123
   17   2HB   ALA   2           HB2      ALA   2   5.839  14.257   3.715
   18   3HB   ALA   2           HB1      ALA   2   5.660  15.663   4.763
   19    H    ALA   3           HN       ALA   3   6.742  12.520   4.399
   20    HA   ALA   3           HA       ALA   3   6.933  10.301   3.620
   21   1HB   ALA   3           HB1      ALA   3   5.884   9.878   6.433
   22   2HB   ALA   3           HB3      ALA   3   6.665   8.641   5.448
   23   3HB   ALA   3           HB2      ALA   3   7.577  10.057   5.971
   24    H    VAL   4           HN       VAL   4   4.832  11.091   2.325
   25    HA   VAL   4           HA       VAL   4   2.791   8.961   2.780
   26    HB   VAL   4           HB       VAL   4   1.708  10.933   3.579
   27   1HG1  VAL   4          HG12      VAL   4   3.495  12.431   2.484
   28   2HG1  VAL   4          HG11      VAL   4   2.464  12.403   1.053
   29   3HG1  VAL   4          HG13      VAL   4   1.853  13.071   2.566
   30   1HG2  VAL   4          HG22      VAL   4   0.856   9.626   1.227
   31   2HG2  VAL   4          HG21      VAL   4  -0.143  10.552   2.348
   32   3HG2  VAL   4          HG23      VAL   4   0.574  11.345   0.945
   33    H    SER   5           HN       SER   5   4.396   8.079   1.071
   34    HA   SER   5           HA       SER   5   3.126   8.283  -1.517
   35   1HB   SER   5           HB2      SER   5   5.790   9.004  -2.183
   36   2HB   SER   5           HB1      SER   5   4.321   9.939  -2.450
   37    HG   SER   5           HG       SER   5   6.113   9.985  -0.270
   38    H    VAL   6           HN       VAL   6   3.092   6.013  -1.407
   39    HA   VAL   6           HA       VAL   6   5.652   4.572  -1.081
   40    HB   VAL   6           HB       VAL   6   3.315   3.889  -0.114
   41   1HG1  VAL   6          HG12      VAL   6   3.149   2.758  -2.922
   42   2HG1  VAL   6          HG11      VAL   6   2.058   2.369  -1.594
   43   3HG1  VAL   6          HG13      VAL   6   2.098   4.005  -2.249
   44   1HG2  VAL   6          HG22      VAL   6   5.656   2.490  -0.757
   45   2HG2  VAL   6          HG21      VAL   6   4.392   1.968   0.357
   46   3HG2  VAL   6          HG23      VAL   6   4.344   1.461  -1.331
   47    H    ASP   7           HN       ASP   7   5.284   2.430  -2.856
   48    HA   ASP   7           HA       ASP   7   5.033   3.728  -5.526
   49   1HB   ASP   7           HB2      ASP   7   7.431   3.717  -4.903
   50   2HB   ASP   7           HB1      ASP   7   7.353   1.971  -4.674
   51    H    CYS   8           HN       CYS   8   3.504   2.566  -6.573
   52    HA   CYS   8           HA       CYS   8   3.664  -0.411  -6.426
   53   1HB   CYS   8           HB2      CYS   8   1.025   1.058  -6.530
   54   2HB   CYS   8           HB1      CYS   8   1.312  -0.642  -6.166
   55    H    SER   9           HN       SER   9   4.819   1.065  -8.475
   56    HA   SER   9           HA       SER   9   2.914   1.321 -10.687
   57   1HB   SER   9           HB2      SER   9   5.637   2.133 -10.147
   58   2HB   SER   9           HB1      SER   9   5.538   1.334 -11.714
   59    HG   SER   9           HG       SER   9   5.073   3.560 -11.879
   60    H    GLU  10           HN       GLU  10   4.004  -1.305  -9.227
   61    HA   GLU  10           HA       GLU  10   4.305  -2.853 -11.773
   62   1HB   GLU  10           HB2      GLU  10   5.491  -4.558 -10.352
   63   2HB   GLU  10           HB1      GLU  10   6.346  -3.020 -10.462
   64   1HG   GLU  10           HG2      GLU  10   4.396  -3.474  -8.222
   65   2HG   GLU  10           HG1      GLU  10   6.022  -4.147  -8.111
   66    H    TYR  11           HN       TYR  11   2.327  -2.170  -9.162
   67    HA   TYR  11           HA       TYR  11   1.129  -4.782  -8.790
   68   1HB   TYR  11           HB2      TYR  11   0.614  -1.963  -7.862
   69   2HB   TYR  11           HB1      TYR  11  -0.563  -3.221  -7.524
   70    HD1  TYR  11           HD2      TYR  11   2.882  -2.062  -6.950
   71    HD2  TYR  11           HD1      TYR  11  -0.026  -5.080  -6.003
   72    HE1  TYR  11           HE2      TYR  11   4.323  -2.870  -5.104
   73    HE2  TYR  11           HE1      TYR  11   1.427  -5.890  -4.151
   74    HH   TYR  11           HH       TYR  11   3.311  -5.607  -3.047
   75    HA   PRO  12           HA       PRO  12  -1.048  -4.847  -7.903
   76   1HB   PRO  12           HB2      PRO  12  -3.161  -6.506  -8.471
   77   2HB   PRO  12           HB1      PRO  12  -3.346  -4.795  -8.051
   78   1HG   PRO  12           HG2      PRO  12  -3.726  -6.107 -10.672
   79   2HG   PRO  12           HG1      PRO  12  -4.284  -4.516 -10.130
   80   1HD   PRO  12           HD2      PRO  12  -1.992  -5.134 -11.763
   81   2HD   PRO  12           HD1      PRO  12  -2.556  -3.536 -11.312
   82    H    LYS  13           HN       LYS  13  -1.047  -7.181  -7.115
   83    HA   LYS  13           HA       LYS  13   0.199  -9.026  -9.102
   84   1HB   LYS  13           HB2      LYS  13   1.324  -9.282  -6.411
   85   2HB   LYS  13           HB1      LYS  13   2.151  -9.173  -7.962
   86   1HG   LYS  13           HG2      LYS  13   1.434  -6.635  -7.823
   87   2HG   LYS  13           HG1      LYS  13   1.329  -6.975  -6.095
   88   1HD   LYS  13           HD2      LYS  13   3.567  -6.177  -6.570
   89   2HD   LYS  13           HD1      LYS  13   3.664  -7.901  -6.203
   90   1HE   LYS  13           HE2      LYS  13   3.164  -7.502  -9.026
   91   2HE   LYS  13           HE1      LYS  13   4.600  -6.609  -8.526
   92   1HZ   LYS  13           HZ1      LYS  13   4.943  -8.930  -7.246
   93   2HZ   LYS  13           HZ3      LYS  13   4.146  -9.465  -8.644
   94   3HZ   LYS  13           HZ2      LYS  13   5.593  -8.587  -8.778
   95    HA   PRO  14           HA       PRO  14  -2.598 -11.874  -7.211
   96   1HB   PRO  14           HB2      PRO  14  -1.515 -14.174  -8.256
   97   2HB   PRO  14           HB1      PRO  14  -2.511 -13.047  -9.193
   98   1HG   PRO  14           HG2      PRO  14   0.440 -13.465  -9.281
   99   2HG   PRO  14           HG1      PRO  14  -0.647 -12.870 -10.546
  100   1HD   PRO  14           HD2      PRO  14   1.060 -11.281  -8.972
  101   2HD   PRO  14           HD1      PRO  14  -0.267 -10.693  -9.955
  102    H    ALA  15           HN       ALA  15   0.289 -11.233  -6.038
  103    HA   ALA  15           HA       ALA  15   0.079 -13.193  -3.860
  104   1HB   ALA  15           HB2      ALA  15   2.404 -13.101  -5.783
  105   2HB   ALA  15           HB1      ALA  15   2.612 -13.667  -4.126
  106   3HB   ALA  15           HB3      ALA  15   1.508 -14.509  -5.214
  107    H    CYS  16           HN       CYS  16   0.584 -12.146  -1.976
  108    HA   CYS  16           HA       CYS  16   1.926  -9.495  -2.213
  109   1HB   CYS  16           HB2      CYS  16   0.193 -10.674  -0.020
  110   2HB   CYS  16           HB1      CYS  16   0.961  -9.089   0.060
  111    H    THR  17           HN       THR  17   3.974  -9.279  -1.436
  112    HA   THR  17           HA       THR  17   5.563 -11.401  -0.527
  113    HB   THR  17           HB       THR  17   6.982  -9.556   0.556
  114    HG1  THR  17           HG1      THR  17   6.289  -7.450   0.024
  115   1HG2  THR  17          HG23      THR  17   6.093  -9.325  -2.330
  116   2HG2  THR  17          HG22      THR  17   7.525  -8.536  -1.669
  117   3HG2  THR  17          HG21      THR  17   7.427 -10.296  -1.710
  118    H    LEU  18           HN       LEU  18   6.583 -11.373   1.839
  119    HA   LEU  18           HA       LEU  18   4.249 -11.519   3.670
  120   1HB   LEU  18           HB2      LEU  18   5.841 -12.815   5.142
  121   2HB   LEU  18           HB1      LEU  18   5.532 -13.563   3.576
  122    HG   LEU  18           HG       LEU  18   7.732 -11.737   3.308
  123   1HD1  LEU  18          HD12      LEU  18   7.654 -12.602   5.900
  124   2HD1  LEU  18          HD11      LEU  18   8.596 -13.888   5.146
  125   3HD1  LEU  18          HD13      LEU  18   9.143 -12.214   5.036
  126   1HD2  LEU  18          HD22      LEU  18   6.944 -14.088   2.224
  127   2HD2  LEU  18          HD21      LEU  18   8.604 -13.502   2.123
  128   3HD2  LEU  18          HD23      LEU  18   8.160 -14.682   3.356
  129    H    GLU  19           HN       GLU  19   7.052  -9.601   3.056
  130    HA   GLU  19           HA       GLU  19   7.806  -8.629   5.555
  131   1HB   GLU  19           HB2      GLU  19   7.327  -7.079   2.991
  132   2HB   GLU  19           HB1      GLU  19   8.131  -6.400   4.407
  133   1HG   GLU  19           HG2      GLU  19  10.070  -7.403   3.857
  134   2HG   GLU  19           HG1      GLU  19   9.274  -8.974   3.756
  135    H    TYR  20           HN       TYR  20   6.696  -7.596   7.195
  136    HA   TYR  20           HA       TYR  20   3.876  -6.922   6.637
  137   1HB   TYR  20           HB2      TYR  20   4.539  -8.319   8.633
  138   2HB   TYR  20           HB1      TYR  20   5.273  -6.867   9.317
  139    HD1  TYR  20           HD2      TYR  20   2.150  -7.171   7.277
  140    HD2  TYR  20           HD1      TYR  20   3.855  -6.299  11.125
  141    HE1  TYR  20           HE2      TYR  20  -0.069  -6.418   8.085
  142    HE2  TYR  20           HE1      TYR  20   1.635  -5.547  11.935
  143    HH   TYR  20           HH       TYR  20  -1.258  -5.817   9.888
  144    H    ARG  21           HN       ARG  21   4.344  -4.981   5.420
  145    HA   ARG  21           HA       ARG  21   5.149  -2.672   7.147
  146   1HB   ARG  21           HB2      ARG  21   5.032  -2.518   4.146
  147   2HB   ARG  21           HB1      ARG  21   6.047  -1.607   5.268
  148   1HG   ARG  21           HG2      ARG  21   7.192  -3.820   5.819
  149   2HG   ARG  21           HG1      ARG  21   6.353  -4.494   4.422
  150   1HD   ARG  21           HD2      ARG  21   8.217  -2.102   4.370
  151   2HD   ARG  21           HD1      ARG  21   8.613  -3.724   3.801
  152    HE   ARG  21           HE       ARG  21   6.287  -2.965   2.418
  153   1HH1  ARG  21          HH11      ARG  21   8.991  -3.649   1.195
  154   2HH1  ARG  21          HH12      ARG  21   9.352  -2.188   0.338
  155   1HH2  ARG  21          HH21      ARG  21   6.967  -0.306   2.009
  156   2HH2  ARG  21          HH22      ARG  21   8.205  -0.296   0.798
  157    HA   PRO  22           HA       PRO  22   0.618  -2.483   6.531
  158   1HB   PRO  22           HB2      PRO  22   0.206  -1.159   8.934
  159   2HB   PRO  22           HB1      PRO  22   0.240  -2.932   8.749
  160   1HG   PRO  22           HG2      PRO  22   2.355  -1.096   9.817
  161   2HG   PRO  22           HG1      PRO  22   1.995  -2.773  10.265
  162   1HD   PRO  22           HD2      PRO  22   4.110  -2.025   8.622
  163   2HD   PRO  22           HD1      PRO  22   3.364  -3.639   8.616
  164    H    LEU  23           HN       LEU  23   0.167  -0.886   5.004
  165    HA   LEU  23           HA       LEU  23   1.014   1.888   5.732
  166   1HB   LEU  23           HB2      LEU  23  -0.081   1.104   3.050
  167   2HB   LEU  23           HB1      LEU  23   1.037   2.407   3.457
  168    HG   LEU  23           HG       LEU  23   1.831  -0.456   3.918
  169   1HD1  LEU  23          HD11      LEU  23   1.621   1.037   1.342
  170   2HD1  LEU  23          HD13      LEU  23   2.980  -0.060   1.587
  171   3HD1  LEU  23          HD12      LEU  23   1.327  -0.669   1.679
  172   1HD2  LEU  23          HD22      LEU  23   3.024   1.897   4.551
  173   2HD2  LEU  23          HD21      LEU  23   3.926   0.427   4.182
  174   3HD2  LEU  23          HD23      LEU  23   3.680   1.645   2.932
  175    H    CYS  24           HN       CYS  24  -0.613   2.998   6.744
  176    HA   CYS  24           HA       CYS  24  -3.398   2.170   6.279
  177   1HB   CYS  24           HB2      CYS  24  -1.996   3.675   8.297
  178   2HB   CYS  24           HB1      CYS  24  -3.345   4.626   7.702
  179    H    GLY  25           HN       GLY  25  -4.631   3.015   4.676
  180   1HA   GLY  25           HA2      GLY  25  -3.508   4.852   2.835
  181   2HA   GLY  25           HA1      GLY  25  -5.176   4.410   2.856
  182    H    SER  26           HN       SER  26  -5.457   6.759   2.313
  183    HA   SER  26           HA       SER  26  -5.117   8.598   4.605
  184   1HB   SER  26           HB2      SER  26  -4.766   9.243   2.132
  185   2HB   SER  26           HB1      SER  26  -6.521   9.207   1.991
  186    HG   SER  26           HG       SER  26  -6.581  11.050   2.981
  187    H    ASP  27           HN       ASP  27  -7.197   6.223   3.850
  188    HA   ASP  27           HA       ASP  27  -9.637   7.665   4.747
  189   1HB   ASP  27           HB2      ASP  27 -10.567   5.205   4.196
  190   2HB   ASP  27           HB1      ASP  27 -10.368   6.427   2.941
  191    H    ASN  28           HN       ASN  28  -7.088   5.875   5.945
  192    HA   ASN  28           HA       ASN  28  -6.733   5.274   8.196
  193   1HB   ASN  28           HB2      ASN  28  -9.718   5.109   8.611
  194   2HB   ASN  28           HB1      ASN  28  -8.454   5.353   9.816
  195   1HD2  ASN  28          HD22      ASN  28 -10.178   8.588   8.370
  196   2HD2  ASN  28          HD21      ASN  28 -10.874   7.042   8.451
  197    H    LYS  29           HN       LYS  29  -7.506   3.555   5.751
  198    HA   LYS  29           HA       LYS  29  -8.316   1.097   7.218
  199   1HB   LYS  29           HB2      LYS  29  -7.821   1.034   4.262
  200   2HB   LYS  29           HB1      LYS  29  -9.036   0.213   5.227
  201   1HG   LYS  29           HG2      LYS  29 -10.412   2.109   5.385
  202   2HG   LYS  29           HG1      LYS  29  -9.121   3.197   4.893
  203   1HD   LYS  29           HD2      LYS  29  -9.305   2.636   2.649
  204   2HD   LYS  29           HD1      LYS  29  -9.965   1.039   3.000
  205   1HE   LYS  29           HE2      LYS  29 -11.854   2.761   4.082
  206   2HE   LYS  29           HE1      LYS  29 -11.363   3.575   2.597
  207   1HZ   LYS  29           HZ3      LYS  29 -11.661   0.799   2.147
  208   2HZ   LYS  29           HZ2      LYS  29 -13.081   1.426   2.838
  209   3HZ   LYS  29           HZ1      LYS  29 -12.466   2.093   1.403
  210    H    THR  30           HN       THR  30  -6.707  -0.155   7.950
  211    HA   THR  30           HA       THR  30  -3.954   0.308   7.109
  212    HB   THR  30           HB       THR  30  -5.146  -1.760   8.971
  213    HG1  THR  30           HG1      THR  30  -5.335   0.418   9.633
  214   1HG2  THR  30          HG22      THR  30  -2.582  -1.656   7.770
  215   2HG2  THR  30          HG21      THR  30  -2.375  -1.130   9.440
  216   3HG2  THR  30          HG23      THR  30  -3.104  -2.697   9.093
  217    H    TYR  31           HN       TYR  31  -2.868  -0.757   5.570
  218    HA   TYR  31           HA       TYR  31  -4.104  -3.200   4.388
  219   1HB   TYR  31           HB2      TYR  31  -2.039  -1.241   3.349
  220   2HB   TYR  31           HB1      TYR  31  -2.446  -2.741   2.517
  221    HD1  TYR  31           HD1      TYR  31  -3.828   0.486   3.745
  222    HD2  TYR  31           HD2      TYR  31  -4.471  -2.966   1.274
  223    HE1  TYR  31           HE1      TYR  31  -5.821   1.573   2.747
  224    HE2  TYR  31           HE2      TYR  31  -6.460  -1.880   0.271
  225    HH   TYR  31           HH       TYR  31  -8.064  -0.144   0.799
  226    H    GLY  32           HN       GLY  32  -3.206  -5.105   4.975
  227   1HA   GLY  32           HA2      GLY  32  -1.393  -5.693   6.847
  228   2HA   GLY  32           HA1      GLY  32  -1.450  -6.670   5.388
  229    H    ASN  33           HN       ASN  33  -0.269  -5.345   3.459
  230    HA   ASN  33           HA       ASN  33   2.135  -4.013   4.528
  231   1HB   ASN  33           HB2      ASN  33   3.674  -5.461   3.252
  232   2HB   ASN  33           HB1      ASN  33   2.797  -6.358   4.465
  233   1HD2  ASN  33          HD22      ASN  33   2.494  -8.470   1.503
  234   2HD2  ASN  33          HD21      ASN  33   3.649  -8.066   2.678
  235    H    LYS  34           HN       LYS  34   3.613  -3.978   2.207
  236    HA   LYS  34           HA       LYS  34   2.479  -1.827   0.793
  237   1HB   LYS  34           HB2      LYS  34   4.419  -1.987  -0.535
  238   2HB   LYS  34           HB1      LYS  34   4.922  -2.649   1.006
  239   1HG   LYS  34           HG2      LYS  34   4.579  -4.930   0.181
  240   2HG   LYS  34           HG1      LYS  34   3.973  -4.303  -1.354
  241   1HD   LYS  34           HD2      LYS  34   6.685  -3.443  -0.402
  242   2HD   LYS  34           HD1      LYS  34   6.496  -5.031  -1.148
  243   1HE   LYS  34           HE2      LYS  34   6.694  -3.956  -3.130
  244   2HE   LYS  34           HE1      LYS  34   5.054  -3.374  -2.836
  245   1HZ   LYS  34           HZ1      LYS  34   5.988  -1.452  -1.695
  246   2HZ   LYS  34           HZ3      LYS  34   7.559  -2.008  -2.008
  247   3HZ   LYS  34           HZ2      LYS  34   6.551  -1.544  -3.295
  248    H    CYS  35           HN       CYS  35   2.292  -5.324   0.169
  249    HA   CYS  35           HA       CYS  35   1.292  -5.015  -2.511
  250   1HB   CYS  35           HB2      CYS  35   2.262  -7.136  -1.880
  251   2HB   CYS  35           HB1      CYS  35   1.109  -7.317  -0.558
  252    H    ASN  36           HN       ASN  36  -0.241  -5.267   0.670
  253    HA   ASN  36           HA       ASN  36  -2.928  -5.450  -0.399
  254   1HB   ASN  36           HB2      ASN  36  -1.781  -4.780   2.311
  255   2HB   ASN  36           HB1      ASN  36  -3.511  -4.637   1.994
  256   1HD2  ASN  36          HD22      ASN  36  -1.816  -8.392   1.874
  257   2HD2  ASN  36          HD21      ASN  36  -0.850  -7.041   1.534
  258    H    PHE  37           HN       PHE  37  -0.866  -2.795   0.747
  259    HA   PHE  37           HA       PHE  37  -2.831  -0.710   0.448
  260   1HB   PHE  37           HB2      PHE  37  -0.597  -0.508   1.636
  261   2HB   PHE  37           HB1      PHE  37   0.151  -0.384   0.150
  262    HD1  PHE  37           HD1      PHE  37  -2.891   1.139   1.669
  263    HD2  PHE  37           HD2      PHE  37   0.622   1.565  -0.711
  264    HE1  PHE  37           HE1      PHE  37  -3.497   3.517   1.229
  265    HE2  PHE  37           HE2      PHE  37   0.048   3.933  -1.169
  266    HZ   PHE  37           HZ       PHE  37  -2.018   4.914  -0.196
  267    H    CYS  38           HN       CYS  38  -0.468  -2.160  -1.574
  268    HA   CYS  38           HA       CYS  38  -0.778  -0.258  -3.757
  269   1HB   CYS  38           HB2      CYS  38   0.532  -2.988  -3.634
  270   2HB   CYS  38           HB1      CYS  38   0.522  -1.979  -5.078
  271    H    ASN  39           HN       ASN  39  -2.297  -3.292  -2.856
  272    HA   ASN  39           HA       ASN  39  -3.495  -3.860  -5.414
  273   1HB   ASN  39           HB2      ASN  39  -4.100  -4.644  -2.566
  274   2HB   ASN  39           HB1      ASN  39  -5.255  -5.025  -3.843
  275   1HD2  ASN  39          HD22      ASN  39  -2.530  -7.704  -3.415
  276   2HD2  ASN  39          HD21      ASN  39  -3.385  -6.838  -2.232
  277    H    ALA  40           HN       ALA  40  -4.072  -1.535  -2.946
  278    HA   ALA  40           HA       ALA  40  -6.801  -0.929  -3.888
  279   1HB   ALA  40           HB2      ALA  40  -5.249  -0.428  -1.503
  280   2HB   ALA  40           HB1      ALA  40  -5.854   1.099  -2.147
  281   3HB   ALA  40           HB3      ALA  40  -6.980  -0.200  -1.754
  282    H    VAL  41           HN       VAL  41  -3.576   0.549  -3.800
  283    HA   VAL  41           HA       VAL  41  -4.233   2.962  -5.173
  284    HB   VAL  41           HB       VAL  41  -1.638   1.387  -5.277
  285   1HG1  VAL  41          HG11      VAL  41  -2.496   4.080  -6.166
  286   2HG1  VAL  41          HG13      VAL  41  -0.951   4.007  -5.317
  287   3HG1  VAL  41          HG12      VAL  41  -1.202   3.048  -6.777
  288   1HG2  VAL  41          HG22      VAL  41  -2.809   2.152  -2.983
  289   2HG2  VAL  41          HG21      VAL  41  -1.062   2.229  -3.211
  290   3HG2  VAL  41          HG23      VAL  41  -2.043   3.682  -3.413
  291    H    VAL  42           HN       VAL  42  -3.757  -0.305  -6.223
  292    HA   VAL  42           HA       VAL  42  -3.589   0.436  -9.075
  293    HB   VAL  42           HB       VAL  42  -3.356  -2.017  -9.416
  294   1HG1  VAL  42          HG13      VAL  42  -1.558  -0.244  -8.285
  295   2HG1  VAL  42          HG12      VAL  42  -1.473  -1.641  -7.214
  296   3HG1  VAL  42          HG11      VAL  42  -1.157  -1.832  -8.937
  297   1HG2  VAL  42          HG22      VAL  42  -4.267  -2.005  -6.615
  298   2HG2  VAL  42          HG21      VAL  42  -4.389  -3.274  -7.830
  299   3HG2  VAL  42          HG23      VAL  42  -2.889  -3.058  -6.929
  300    H    GLU  43           HN       GLU  43  -5.889  -0.869  -6.764
  301    HA   GLU  43           HA       GLU  43  -7.817  -1.517  -8.907
  302   1HB   GLU  43           HB2      GLU  43  -7.470  -2.661  -6.490
  303   2HB   GLU  43           HB1      GLU  43  -8.685  -1.473  -6.060
  304   1HG   GLU  43           HG2      GLU  43 -10.149  -2.277  -7.859
  305   2HG   GLU  43           HG1      GLU  43  -8.929  -3.460  -8.331
  306    H    SER  44           HN       SER  44  -6.783   1.293  -7.930
  307    HA   SER  44           HA       SER  44  -9.500   2.529  -8.036
  308   1HB   SER  44           HB2      SER  44  -8.871   2.729  -5.730
  309   2HB   SER  44           HB1      SER  44  -7.228   3.204  -6.152
  310    HG   SER  44           HG       SER  44  -9.557   4.679  -6.076
  311    H    ASN  45           HN       ASN  45  -7.158   2.058  -9.950
  312    HA   ASN  45           HA       ASN  45  -6.159   3.250 -11.703
  313   1HB   ASN  45           HB2      ASN  45  -8.314   5.155 -10.800
  314   2HB   ASN  45           HB1      ASN  45  -7.163   5.630 -12.050
  315   1HD2  ASN  45          HD22      ASN  45  -9.416   4.113 -14.337
  316   2HD2  ASN  45          HD21      ASN  45  -8.739   5.571 -13.790
  317    H    GLY  46           HN       GLY  46  -5.385   3.524  -8.736
  318   1HA   GLY  46           HA2      GLY  46  -3.586   4.523  -7.623
  319   2HA   GLY  46           HA1      GLY  46  -3.116   5.256  -9.152
  320    H    THR  47           HN       THR  47  -6.313   5.732  -7.821
  321    HA   THR  47           HA       THR  47  -5.721   8.627  -7.574
  322    HB   THR  47           HB       THR  47  -8.117   8.936  -7.526
  323    HG1  THR  47           HG1      THR  47  -9.242   6.696  -7.753
  324   1HG2  THR  47          HG23      THR  47  -6.773   7.454  -9.591
  325   2HG2  THR  47          HG22      THR  47  -8.455   6.932  -9.500
  326   3HG2  THR  47          HG21      THR  47  -8.072   8.636  -9.752
  327    H    LEU  48           HN       LEU  48  -5.815   5.880  -5.609
  328    HA   LEU  48           HA       LEU  48  -6.874   7.149  -3.228
  329   1HB   LEU  48           HB2      LEU  48  -7.265   4.859  -3.241
  330   2HB   LEU  48           HB1      LEU  48  -5.724   4.495  -4.008
  331    HG   LEU  48           HG       LEU  48  -5.227   5.701  -1.449
  332   1HD1  LEU  48          HD13      LEU  48  -7.387   3.669  -1.594
  333   2HD1  LEU  48          HD12      LEU  48  -6.219   3.549  -0.277
  334   3HD1  LEU  48          HD11      LEU  48  -7.180   5.015  -0.474
  335   1HD2  LEU  48          HD21      LEU  48  -4.702   3.097  -2.841
  336   2HD2  LEU  48          HD23      LEU  48  -3.550   4.315  -2.292
  337   3HD2  LEU  48          HD22      LEU  48  -4.329   3.249  -1.123
  338    H    THR  49           HN       THR  49  -5.700   8.098  -1.633
  339    HA   THR  49           HA       THR  49  -2.718   8.040  -1.860
  340    HB   THR  49           HB       THR  49  -2.581  10.300  -1.307
  341    HG1  THR  49           HG1      THR  49  -3.707  10.827   0.367
  342   1HG2  THR  49          HG21      THR  49  -4.068   9.734  -3.445
  343   2HG2  THR  49          HG23      THR  49  -5.305  10.568  -2.505
  344   3HG2  THR  49          HG22      THR  49  -3.807  11.398  -2.927
  345    H    LEU  50           HN       LEU  50  -1.641   7.848   0.227
  346    HA   LEU  50           HA       LEU  50  -3.458   6.650   2.217
  347   1HB   LEU  50           HB2      LEU  50  -1.735   5.292   2.808
  348   2HB   LEU  50           HB1      LEU  50  -1.139   5.737   1.224
  349    HG   LEU  50           HG       LEU  50  -0.296   7.633   3.294
  350   1HD1  LEU  50          HD13      LEU  50  -0.428   4.968   4.091
  351   2HD1  LEU  50          HD12      LEU  50   1.241   5.183   3.561
  352   3HD1  LEU  50          HD11      LEU  50   0.571   6.226   4.813
  353   1HD2  LEU  50          HD22      LEU  50   0.884   6.001   1.065
  354   2HD2  LEU  50          HD21      LEU  50   0.865   7.754   1.265
  355   3HD2  LEU  50          HD23      LEU  50   1.947   6.766   2.246
  356    H    SER  51           HN       SER  51  -2.023   7.013   4.584
  357    HA   SER  51           HA       SER  51  -2.071   9.974   4.917
  358   1HB   SER  51           HB2      SER  51  -3.777   7.986   6.172
  359   2HB   SER  51           HB1      SER  51  -2.783   8.765   7.354
  360    HG   SER  51           HG       SER  51  -3.839  10.473   5.488
  361    H    HIS  52           HN       HIS  52  -0.778   6.840   5.951
  362    HA   HIS  52           HA       HIS  52   1.756   8.056   6.653
  363   1HB   HIS  52           HB2      HIS  52   1.671   7.599   9.069
  364   2HB   HIS  52           HB1      HIS  52   0.412   8.746   8.606
  365    HD1  HIS  52           HD1      HIS  52   0.546   6.337  10.945
  366    HD2  HIS  52           HD2      HIS  52  -1.875   6.578   7.549
  367    HE1  HIS  52           HE1      HIS  52  -1.465   4.859  11.380
  368    H    PHE  53           HN       PHE  53   3.297   6.512   6.426
  369    HA   PHE  53           HA       PHE  53   2.642   3.802   5.780
  370   1HB   PHE  53           HB2      PHE  53   5.259   5.040   6.679
  371   2HB   PHE  53           HB1      PHE  53   5.088   3.391   6.082
  372    HD1  PHE  53           HD2      PHE  53   4.799   6.970   5.177
  373    HD2  PHE  53           HD1      PHE  53   4.774   2.923   3.742
  374    HE1  PHE  53           HE2      PHE  53   4.946   7.797   2.845
  375    HE2  PHE  53           HE1      PHE  53   4.920   3.750   1.408
  376    HZ   PHE  53           HZ       PHE  53   5.006   6.187   0.959
  377    H    GLY  54           HN       GLY  54   1.721   2.506   7.274
  378   1HA   GLY  54           HA2      GLY  54   2.760   1.173   9.324
  379   2HA   GLY  54           HA1      GLY  54   2.436   2.695  10.101
  380    H    LYS  55           HN       LYS  55   0.990   0.945  11.269
  381    HA   LYS  55           HA       LYS  55  -1.548   0.467   9.972
  382   1HB   LYS  55           HB2      LYS  55  -0.726  -1.292  11.373
  383   2HB   LYS  55           HB1      LYS  55  -0.271  -0.150  12.631
  384   1HG   LYS  55           HG2      LYS  55  -2.262  -0.101  13.517
  385   2HG   LYS  55           HG1      LYS  55  -3.039   0.075  11.955
  386   1HD   LYS  55           HD2      LYS  55  -3.834  -2.035  12.365
  387   2HD   LYS  55           HD1      LYS  55  -2.229  -2.529  11.824
  388   1HE   LYS  55           HE2      LYS  55  -3.195  -2.158  14.666
  389   2HE   LYS  55           HE1      LYS  55  -2.564  -3.624  13.918
  390   1HZ   LYS  55           HZ2      LYS  55  -0.475  -2.190  13.545
  391   2HZ   LYS  55           HZ1      LYS  55  -1.117  -1.208  14.774
  392   3HZ   LYS  55           HZ3      LYS  55  -0.762  -2.835  15.091
  393    H    CYS  56           HN       CYS  56  -3.506   1.481  10.815
  394    HA   CYS  56           HA       CYS  56  -3.234   4.235  11.535
  395   1HB   CYS  56           HB2      CYS  56  -5.564   2.321  11.486
  396   2HB   CYS  56           HB1      CYS  56  -5.754   3.978  12.057
   
  No H/Q in entry =         396
  Start of MODEL          21
 Raw file had  401 H/Q atoms
  Start of MODEL   21
    1   1H    LEU   1           HT1      LEU   1   7.027  18.788  -4.708
    2   2H    LEU   1           HT3      LEU   1   7.797  18.058  -6.030
    3   3H    LEU   1           HT2      LEU   1   6.118  17.894  -5.832
    4    HA   LEU   1           HA       LEU   1   6.470  16.007  -4.759
    5   1HB   LEU   1           HB2      LEU   1   9.264  16.901  -5.235
    6   2HB   LEU   1           HB1      LEU   1   9.042  15.688  -3.974
    7    HG   LEU   1           HG       LEU   1   7.497  15.172  -6.430
    8   1HD1  LEU   1          HD13      LEU   1  10.529  15.074  -6.445
    9   2HD1  LEU   1          HD12      LEU   1   9.489  14.360  -7.678
   10   3HD1  LEU   1          HD11      LEU   1   9.517  16.109  -7.453
   11   1HD2  LEU   1          HD22      LEU   1   9.432  13.544  -4.750
   12   2HD2  LEU   1          HD21      LEU   1   7.678  13.572  -4.566
   13   3HD2  LEU   1          HD23      LEU   1   8.400  12.897  -6.027
   14    H    ALA   2           HN       ALA   2   5.547  15.989  -2.781
   15    HA   ALA   2           HA       ALA   2   6.972  16.506  -0.376
   16   1HB   ALA   2           HB3      ALA   2   5.937  18.865  -1.642
   17   2HB   ALA   2           HB2      ALA   2   5.028  18.577  -0.159
   18   3HB   ALA   2           HB1      ALA   2   6.784  18.734  -0.101
   19    H    ALA   3           HN       ALA   3   5.486  14.384  -0.974
   20    HA   ALA   3           HA       ALA   3   3.162  14.651   0.847
   21   1HB   ALA   3           HB3      ALA   3   2.830  14.621  -1.933
   22   2HB   ALA   3           HB2      ALA   3   2.493  12.965  -1.429
   23   3HB   ALA   3           HB1      ALA   3   1.582  14.303  -0.728
   24    H    VAL   4           HN       VAL   4   2.193  12.288   1.103
   25    HA   VAL   4           HA       VAL   4   4.531  10.445   1.401
   26    HB   VAL   4           HB       VAL   4   3.006   9.352   3.160
   27   1HG1  VAL   4          HG12      VAL   4   4.083  12.167   3.496
   28   2HG1  VAL   4          HG11      VAL   4   3.539  11.170   4.844
   29   3HG1  VAL   4          HG13      VAL   4   4.911  10.654   3.864
   30   1HG2  VAL   4          HG21      VAL   4   1.128  11.059   2.094
   31   2HG2  VAL   4          HG23      VAL   4   1.002  10.298   3.681
   32   3HG2  VAL   4          HG22      VAL   4   1.636  11.937   3.537
   33    H    SER   5           HN       SER   5   4.471   9.001  -0.269
   34    HA   SER   5           HA       SER   5   2.047   7.375  -0.630
   35   1HB   SER   5           HB2      SER   5   3.062   9.307  -2.699
   36   2HB   SER   5           HB1      SER   5   2.302   7.801  -3.208
   37    HG   SER   5           HG       SER   5   1.192  10.059  -2.172
   38    H    VAL   6           HN       VAL   6   2.517   5.498  -2.092
   39    HA   VAL   6           HA       VAL   6   5.445   4.895  -2.094
   40    HB   VAL   6           HB       VAL   6   3.727   3.564  -0.604
   41   1HG1  VAL   6          HG13      VAL   6   2.199   3.123  -2.557
   42   2HG1  VAL   6          HG12      VAL   6   3.458   2.090  -3.234
   43   3HG1  VAL   6          HG11      VAL   6   2.705   1.670  -1.696
   44   1HG2  VAL   6          HG21      VAL   6   6.185   2.908  -1.941
   45   2HG2  VAL   6          HG23      VAL   6   5.613   2.371  -0.363
   46   3HG2  VAL   6          HG22      VAL   6   5.191   1.458  -1.811
   47    H    ASP   7           HN       ASP   7   5.435   2.654  -3.715
   48    HA   ASP   7           HA       ASP   7   4.426   3.759  -6.306
   49   1HB   ASP   7           HB2      ASP   7   6.904   3.754  -6.116
   50   2HB   ASP   7           HB1      ASP   7   6.862   2.013  -5.832
   51    H    CYS   8           HN       CYS   8   3.021   2.465  -7.402
   52    HA   CYS   8           HA       CYS   8   3.103  -0.463  -6.985
   53   1HB   CYS   8           HB2      CYS   8   0.497   1.032  -6.641
   54   2HB   CYS   8           HB1      CYS   8   0.840  -0.657  -6.268
   55    H    SER   9           HN       SER   9   3.885   0.669  -9.293
   56    HA   SER   9           HA       SER   9   1.576   0.894 -11.118
   57   1HB   SER   9           HB2      SER   9   3.148   2.416 -11.835
   58   2HB   SER   9           HB1      SER   9   4.503   1.446 -11.269
   59    HG   SER   9           HG       SER   9   2.903   1.071 -13.582
   60    H    GLU  10           HN       GLU  10   2.702  -1.655  -9.705
   61    HA   GLU  10           HA       GLU  10   2.556  -3.347 -12.161
   62   1HB   GLU  10           HB2      GLU  10   4.413  -3.820  -9.809
   63   2HB   GLU  10           HB1      GLU  10   4.277  -4.830 -11.249
   64   1HG   GLU  10           HG2      GLU  10   6.151  -3.468 -11.698
   65   2HG   GLU  10           HG1      GLU  10   4.838  -2.671 -12.567
   66    H    TYR  11           HN       TYR  11   0.671  -2.543  -9.904
   67    HA   TYR  11           HA       TYR  11   0.133  -5.220  -8.768
   68   1HB   TYR  11           HB2      TYR  11  -0.608  -2.411  -7.925
   69   2HB   TYR  11           HB1      TYR  11  -1.329  -3.833  -7.179
   70    HD1  TYR  11           HD2      TYR  11   1.759  -1.895  -7.648
   71    HD2  TYR  11           HD1      TYR  11   0.031  -5.372  -5.814
   72    HE1  TYR  11           HE2      TYR  11   3.776  -2.148  -6.228
   73    HE2  TYR  11           HE1      TYR  11   2.052  -5.628  -4.391
   74    HH   TYR  11           HH       TYR  11   3.901  -3.938  -3.513
   75    HA   PRO  12           HA       PRO  12  -1.783  -5.557  -7.450
   76   1HB   PRO  12           HB2      PRO  12  -3.330  -7.818  -7.692
   77   2HB   PRO  12           HB1      PRO  12  -3.977  -6.233  -7.227
   78   1HG   PRO  12           HG2      PRO  12  -4.197  -7.658  -9.843
   79   2HG   PRO  12           HG1      PRO  12  -5.292  -6.470  -9.116
   80   1HD   PRO  12           HD2      PRO  12  -3.401  -5.934 -11.143
   81   2HD   PRO  12           HD1      PRO  12  -4.260  -4.739 -10.197
   82    H    LYS  13           HN       LYS  13  -0.857  -7.661  -6.679
   83    HA   LYS  13           HA       LYS  13   0.775  -8.954  -8.827
   84   1HB   LYS  13           HB2      LYS  13   1.518  -7.688  -6.389
   85   2HB   LYS  13           HB1      LYS  13   1.805  -9.413  -6.180
   86   1HG   LYS  13           HG2      LYS  13   2.928  -9.270  -8.531
   87   2HG   LYS  13           HG1      LYS  13   2.994  -7.537  -8.212
   88   1HD   LYS  13           HD2      LYS  13   4.233  -7.925  -6.145
   89   2HD   LYS  13           HD1      LYS  13   4.098  -9.671  -6.362
   90   1HE   LYS  13           HE2      LYS  13   5.908  -9.688  -7.698
   91   2HE   LYS  13           HE1      LYS  13   5.178  -8.480  -8.755
   92   1HZ   LYS  13           HZ1      LYS  13   6.039  -7.317  -6.312
   93   2HZ   LYS  13           HZ3      LYS  13   7.323  -8.121  -7.074
   94   3HZ   LYS  13           HZ2      LYS  13   6.469  -6.912  -7.905
   95    HA   PRO  14           HA       PRO  14  -1.291 -12.691  -7.681
   96   1HB   PRO  14           HB2      PRO  14   0.438 -14.441  -8.906
   97   2HB   PRO  14           HB1      PRO  14  -0.753 -13.464  -9.782
   98   1HG   PRO  14           HG2      PRO  14   2.200 -13.095  -9.586
   99   2HG   PRO  14           HG1      PRO  14   1.094 -12.608 -10.879
  100   1HD   PRO  14           HD2      PRO  14   2.182 -10.904  -8.934
  101   2HD   PRO  14           HD1      PRO  14   0.807 -10.529  -9.956
  102    H    ALA  15           HN       ALA  15   1.222 -11.558  -6.090
  103    HA   ALA  15           HA       ALA  15   1.261 -13.664  -4.114
  104   1HB   ALA  15           HB2      ALA  15   3.650 -13.332  -5.941
  105   2HB   ALA  15           HB1      ALA  15   3.784 -14.050  -4.337
  106   3HB   ALA  15           HB3      ALA  15   2.773 -14.815  -5.563
  107    H    CYS  16           HN       CYS  16   0.939 -12.101  -2.533
  108    HA   CYS  16           HA       CYS  16   2.496  -9.626  -2.522
  109   1HB   CYS  16           HB2      CYS  16   0.598 -10.825  -0.476
  110   2HB   CYS  16           HB1      CYS  16   1.342  -9.235  -0.332
  111    H    THR  17           HN       THR  17   4.299  -9.193  -1.268
  112    HA   THR  17           HA       THR  17   5.976 -11.307  -0.424
  113    HB   THR  17           HB       THR  17   7.317  -9.604   0.683
  114    HG1  THR  17           HG1      THR  17   5.419  -7.629   0.223
  115   1HG2  THR  17          HG23      THR  17   7.190  -9.628  -1.828
  116   2HG2  THR  17          HG22      THR  17   5.973  -8.357  -1.727
  117   3HG2  THR  17          HG21      THR  17   7.612  -8.055  -1.151
  118    H    LEU  18           HN       LEU  18   6.752 -10.762   2.211
  119    HA   LEU  18           HA       LEU  18   4.261 -11.457   3.710
  120   1HB   LEU  18           HB2      LEU  18   7.033 -12.628   3.823
  121   2HB   LEU  18           HB1      LEU  18   5.979 -12.709   5.236
  122    HG   LEU  18           HG       LEU  18   4.816 -13.498   2.603
  123   1HD1  LEU  18          HD12      LEU  18   7.141 -14.563   2.835
  124   2HD1  LEU  18          HD11      LEU  18   6.483 -15.429   4.224
  125   3HD1  LEU  18          HD13      LEU  18   5.787 -15.673   2.622
  126   1HD2  LEU  18          HD21      LEU  18   4.547 -14.281   5.507
  127   2HD2  LEU  18          HD23      LEU  18   3.320 -13.603   4.436
  128   3HD2  LEU  18          HD22      LEU  18   3.851 -15.273   4.226
  129    H    GLU  19           HN       GLU  19   7.136  -9.500   3.579
  130    HA   GLU  19           HA       GLU  19   7.559  -8.695   6.200
  131   1HB   GLU  19           HB2      GLU  19   7.340  -6.895   3.764
  132   2HB   GLU  19           HB1      GLU  19   8.097  -6.440   5.293
  133   1HG   GLU  19           HG2      GLU  19  10.001  -7.526   4.761
  134   2HG   GLU  19           HG1      GLU  19   9.111  -8.987   4.342
  135    H    TYR  20           HN       TYR  20   6.291  -7.758   7.756
  136    HA   TYR  20           HA       TYR  20   3.524  -7.071   6.998
  137   1HB   TYR  20           HB2      TYR  20   4.008  -8.472   9.021
  138   2HB   TYR  20           HB1      TYR  20   4.778  -7.065   9.757
  139    HD1  TYR  20           HD2      TYR  20   1.737  -7.241   7.587
  140    HD2  TYR  20           HD1      TYR  20   3.314  -6.411  11.496
  141    HE1  TYR  20           HE2      TYR  20  -0.484  -6.395   8.299
  142    HE2  TYR  20           HE1      TYR  20   1.095  -5.566  12.211
  143    HH   TYR  20           HH       TYR  20  -1.621  -5.365   9.920
  144    H    ARG  21           HN       ARG  21   4.154  -5.114   5.809
  145    HA   ARG  21           HA       ARG  21   4.844  -2.834   7.619
  146   1HB   ARG  21           HB2      ARG  21   4.987  -2.895   4.588
  147   2HB   ARG  21           HB1      ARG  21   5.638  -1.656   5.661
  148   1HG   ARG  21           HG2      ARG  21   7.013  -3.614   6.700
  149   2HG   ARG  21           HG1      ARG  21   6.631  -4.461   5.200
  150   1HD   ARG  21           HD2      ARG  21   8.821  -3.112   5.236
  151   2HD   ARG  21           HD1      ARG  21   7.741  -2.834   3.871
  152    HE   ARG  21           HE       ARG  21   7.140  -0.694   4.833
  153   1HH1  ARG  21          HH21      ARG  21   7.603  -1.718   7.721
  154   2HH1  ARG  21          HH22      ARG  21   8.946  -0.728   8.186
  155   1HH2  ARG  21          HH11      ARG  21   9.689   0.253   4.944
  156   2HH2  ARG  21          HH12      ARG  21  10.127   0.386   6.615
  157    HA   PRO  22           HA       PRO  22   0.397  -2.455   6.719
  158   1HB   PRO  22           HB2      PRO  22  -0.140  -1.114   9.071
  159   2HB   PRO  22           HB1      PRO  22  -0.139  -2.882   8.908
  160   1HG   PRO  22           HG2      PRO  22   1.944  -1.096  10.111
  161   2HG   PRO  22           HG1      PRO  22   1.508  -2.760  10.539
  162   1HD   PRO  22           HD2      PRO  22   3.748  -2.065   9.031
  163   2HD   PRO  22           HD1      PRO  22   2.979  -3.667   9.010
  164    H    LEU  23           HN       LEU  23   0.196  -0.890   5.142
  165    HA   LEU  23           HA       LEU  23   1.151   1.855   5.823
  166   1HB   LEU  23           HB2      LEU  23   0.183   0.998   3.105
  167   2HB   LEU  23           HB1      LEU  23   1.337   2.265   3.520
  168    HG   LEU  23           HG       LEU  23   2.028  -0.550   4.264
  169   1HD1  LEU  23          HD13      LEU  23   1.686   0.487   1.507
  170   2HD1  LEU  23          HD12      LEU  23   3.167  -0.412   1.836
  171   3HD1  LEU  23          HD11      LEU  23   1.596  -1.166   2.110
  172   1HD2  LEU  23          HD21      LEU  23   3.299   2.029   4.056
  173   2HD2  LEU  23          HD23      LEU  23   3.942   0.534   4.735
  174   3HD2  LEU  23          HD22      LEU  23   4.129   0.873   3.014
  175    H    CYS  24           HN       CYS  24  -0.371   3.309   6.414
  176    HA   CYS  24           HA       CYS  24  -3.211   2.637   6.183
  177   1HB   CYS  24           HB2      CYS  24  -2.738   3.823   8.167
  178   2HB   CYS  24           HB1      CYS  24  -1.642   4.915   7.357
  179    H    GLY  25           HN       GLY  25  -4.556   3.325   4.586
  180   1HA   GLY  25           HA2      GLY  25  -3.541   4.669   2.243
  181   2HA   GLY  25           HA1      GLY  25  -5.157   4.313   2.567
  182    H    SER  26           HN       SER  26  -5.191   6.722   1.562
  183    HA   SER  26           HA       SER  26  -4.760   8.671   3.768
  184   1HB   SER  26           HB2      SER  26  -4.092   9.463   1.597
  185   2HB   SER  26           HB1      SER  26  -5.623   8.982   0.881
  186    HG   SER  26           HG       SER  26  -4.987  11.283   2.043
  187    H    ASP  27           HN       ASP  27  -7.068   6.479   3.108
  188    HA   ASP  27           HA       ASP  27  -9.315   8.297   3.866
  189   1HB   ASP  27           HB2      ASP  27 -10.821   6.752   2.847
  190   2HB   ASP  27           HB1      ASP  27  -9.483   6.923   1.712
  191    H    ASN  28           HN       ASN  28  -7.128   6.406   5.312
  192    HA   ASN  28           HA       ASN  28  -7.120   5.650   7.556
  193   1HB   ASN  28           HB2      ASN  28  -9.253   7.092   7.791
  194   2HB   ASN  28           HB1      ASN  28 -10.134   5.591   7.514
  195   1HD2  ASN  28          HD22      ASN  28  -7.747   5.676  10.869
  196   2HD2  ASN  28          HD21      ASN  28  -7.182   6.397   9.439
  197    H    LYS  29           HN       LYS  29  -7.077   3.981   5.184
  198    HA   LYS  29           HA       LYS  29  -8.406   1.531   6.279
  199   1HB   LYS  29           HB2      LYS  29  -8.696   2.660   3.726
  200   2HB   LYS  29           HB1      LYS  29  -7.608   1.291   3.494
  201   1HG   LYS  29           HG2      LYS  29  -9.719   0.536   5.301
  202   2HG   LYS  29           HG1      LYS  29 -10.420   1.214   3.833
  203   1HD   LYS  29           HD2      LYS  29  -9.297  -0.364   2.445
  204   2HD   LYS  29           HD1      LYS  29  -8.225  -0.863   3.754
  205   1HE   LYS  29           HE2      LYS  29 -10.362  -1.599   4.989
  206   2HE   LYS  29           HE1      LYS  29 -11.173  -1.439   3.432
  207   1HZ   LYS  29           HZ3      LYS  29  -8.823  -2.839   2.977
  208   2HZ   LYS  29           HZ2      LYS  29  -9.526  -3.533   4.360
  209   3HZ   LYS  29           HZ1      LYS  29 -10.410  -3.435   2.912
  210    H    THR  30           HN       THR  30  -6.821   0.441   7.343
  211    HA   THR  30           HA       THR  30  -4.016   0.648   6.637
  212    HB   THR  30           HB       THR  30  -5.563  -1.118   8.544
  213    HG1  THR  30           HG1      THR  30  -4.178   0.162   9.990
  214   1HG2  THR  30          HG21      THR  30  -2.621  -1.135   7.854
  215   2HG2  THR  30          HG23      THR  30  -3.217  -1.699   9.415
  216   3HG2  THR  30          HG22      THR  30  -3.731  -2.505   7.934
  217    H    TYR  31           HN       TYR  31  -2.739  -0.789   5.515
  218    HA   TYR  31           HA       TYR  31  -4.098  -3.158   4.282
  219   1HB   TYR  31           HB2      TYR  31  -2.125  -1.183   3.142
  220   2HB   TYR  31           HB1      TYR  31  -2.295  -2.799   2.452
  221    HD1  TYR  31           HD1      TYR  31  -4.118   0.352   3.228
  222    HD2  TYR  31           HD2      TYR  31  -4.218  -3.410   1.158
  223    HE1  TYR  31           HE1      TYR  31  -6.160   1.071   2.020
  224    HE2  TYR  31           HE2      TYR  31  -6.258  -2.689  -0.054
  225    HH   TYR  31           HH       TYR  31  -8.183  -0.975   0.447
  226    H    GLY  32           HN       GLY  32  -3.166  -5.073   4.796
  227   1HA   GLY  32           HA2      GLY  32  -1.413  -5.540   6.796
  228   2HA   GLY  32           HA1      GLY  32  -1.468  -6.611   5.411
  229    H    ASN  33           HN       ASN  33  -0.214  -5.395   3.406
  230    HA   ASN  33           HA       ASN  33   2.250  -4.165   4.510
  231   1HB   ASN  33           HB2      ASN  33   3.694  -5.702   3.205
  232   2HB   ASN  33           HB1      ASN  33   2.783  -6.526   4.445
  233   1HD2  ASN  33          HD22      ASN  33   2.380  -8.589   1.421
  234   2HD2  ASN  33          HD21      ASN  33   3.620  -8.193   2.506
  235    H    LYS  34           HN       LYS  34   3.770  -4.189   2.219
  236    HA   LYS  34           HA       LYS  34   2.785  -1.971   0.780
  237   1HB   LYS  34           HB2      LYS  34   4.767  -2.201  -0.462
  238   2HB   LYS  34           HB1      LYS  34   5.177  -2.896   1.092
  239   1HG   LYS  34           HG2      LYS  34   4.699  -5.159   0.205
  240   2HG   LYS  34           HG1      LYS  34   4.316  -4.452  -1.367
  241   1HD   LYS  34           HD2      LYS  34   6.954  -3.775  -0.131
  242   2HD   LYS  34           HD1      LYS  34   6.755  -5.377  -0.844
  243   1HE   LYS  34           HE2      LYS  34   6.933  -4.527  -2.919
  244   2HE   LYS  34           HE1      LYS  34   5.623  -3.390  -2.601
  245   1HZ   LYS  34           HZ1      LYS  34   7.690  -2.351  -1.201
  246   2HZ   LYS  34           HZ3      LYS  34   8.466  -2.964  -2.580
  247   3HZ   LYS  34           HZ2      LYS  34   7.200  -1.842  -2.747
  248    H    CYS  35           HN       CYS  35   2.678  -5.454  -0.007
  249    HA   CYS  35           HA       CYS  35   1.703  -5.070  -2.670
  250   1HB   CYS  35           HB2      CYS  35   2.711  -7.186  -1.997
  251   2HB   CYS  35           HB1      CYS  35   1.434  -7.440  -0.809
  252    H    ASN  36           HN       ASN  36   0.028  -5.568   0.434
  253    HA   ASN  36           HA       ASN  36  -2.596  -5.682  -0.799
  254   1HB   ASN  36           HB2      ASN  36  -1.554  -5.392   2.001
  255   2HB   ASN  36           HB1      ASN  36  -3.251  -5.032   1.679
  256   1HD2  ASN  36          HD22      ASN  36  -1.932  -8.895   1.515
  257   2HD2  ASN  36          HD21      ASN  36  -0.830  -7.618   1.684
  258    H    PHE  37           HN       PHE  37  -0.583  -3.153   0.583
  259    HA   PHE  37           HA       PHE  37  -2.555  -1.050   0.509
  260   1HB   PHE  37           HB2      PHE  37  -0.337  -1.076   1.744
  261   2HB   PHE  37           HB1      PHE  37   0.434  -0.658   0.298
  262    HD1  PHE  37           HD1      PHE  37  -2.420   0.488   2.373
  263    HD2  PHE  37           HD2      PHE  37   0.618   1.392  -0.472
  264    HE1  PHE  37           HE1      PHE  37  -3.108   2.850   2.434
  265    HE2  PHE  37           HE2      PHE  37  -0.038   3.779  -0.452
  266    HZ   PHE  37           HZ       PHE  37  -1.907   4.542   1.011
  267    H    CYS  38           HN       CYS  38  -0.257  -2.348  -1.648
  268    HA   CYS  38           HA       CYS  38  -0.415  -0.184  -3.574
  269   1HB   CYS  38           HB2      CYS  38   0.806  -2.927  -3.557
  270   2HB   CYS  38           HB1      CYS  38   0.587  -2.097  -5.094
  271    H    ASN  39           HN       ASN  39  -1.646  -3.568  -3.671
  272    HA   ASN  39           HA       ASN  39  -3.083  -3.541  -6.021
  273   1HB   ASN  39           HB2      ASN  39  -4.126  -4.560  -3.354
  274   2HB   ASN  39           HB1      ASN  39  -4.742  -5.029  -4.937
  275   1HD2  ASN  39          HD22      ASN  39  -2.077  -7.447  -3.666
  276   2HD2  ASN  39          HD21      ASN  39  -3.426  -6.771  -2.889
  277    H    ALA  40           HN       ALA  40  -3.969  -1.940  -2.990
  278    HA   ALA  40           HA       ALA  40  -6.557  -1.050  -3.888
  279   1HB   ALA  40           HB2      ALA  40  -4.678   0.085  -1.789
  280   2HB   ALA  40           HB1      ALA  40  -6.350   0.601  -2.016
  281   3HB   ALA  40           HB3      ALA  40  -5.998  -1.050  -1.504
  282    H    VAL  41           HN       VAL  41  -3.359   0.496  -3.736
  283    HA   VAL  41           HA       VAL  41  -3.978   2.996  -4.866
  284    HB   VAL  41           HB       VAL  41  -1.513   1.274  -5.259
  285   1HG1  VAL  41          HG13      VAL  41  -2.210   3.545  -6.679
  286   2HG1  VAL  41          HG12      VAL  41  -1.210   4.188  -5.377
  287   3HG1  VAL  41          HG11      VAL  41  -0.567   2.945  -6.450
  288   1HG2  VAL  41          HG21      VAL  41  -2.544   2.442  -2.941
  289   2HG2  VAL  41          HG23      VAL  41  -0.881   1.910  -3.183
  290   3HG2  VAL  41          HG22      VAL  41  -1.321   3.591  -3.486
  291    H    VAL  42           HN       VAL  42  -2.761   0.134  -6.627
  292    HA   VAL  42           HA       VAL  42  -3.134   1.220  -9.214
  293    HB   VAL  42           HB       VAL  42  -1.609  -0.584  -8.924
  294   1HG1  VAL  42          HG11      VAL  42  -3.910  -1.864  -7.500
  295   2HG1  VAL  42          HG13      VAL  42  -2.692  -2.889  -8.261
  296   3HG1  VAL  42          HG12      VAL  42  -2.219  -1.739  -7.012
  297   1HG2  VAL  42          HG21      VAL  42  -3.720  -0.691 -10.756
  298   2HG2  VAL  42          HG23      VAL  42  -2.172  -1.529 -10.876
  299   3HG2  VAL  42          HG22      VAL  42  -3.558  -2.337 -10.142
  300    H    GLU  43           HN       GLU  43  -5.375  -0.403  -7.039
  301    HA   GLU  43           HA       GLU  43  -7.318  -0.782  -9.245
  302   1HB   GLU  43           HB2      GLU  43  -6.877  -2.268  -6.980
  303   2HB   GLU  43           HB1      GLU  43  -8.225  -1.264  -6.481
  304   1HG   GLU  43           HG2      GLU  43  -8.983  -2.001  -9.016
  305   2HG   GLU  43           HG1      GLU  43  -8.152  -3.448  -8.441
  306    H    SER  44           HN       SER  44  -6.316   1.759  -7.485
  307    HA   SER  44           HA       SER  44  -9.053   2.968  -7.427
  308   1HB   SER  44           HB2      SER  44  -8.653   3.936  -5.368
  309   2HB   SER  44           HB1      SER  44  -7.681   2.478  -5.186
  310    HG   SER  44           HG       SER  44  -6.090   3.816  -4.905
  311    H    ASN  45           HN       ASN  45  -6.235   2.965  -9.058
  312    HA   ASN  45           HA       ASN  45  -5.174   4.463 -10.467
  313   1HB   ASN  45           HB2      ASN  45  -6.490   5.986 -11.602
  314   2HB   ASN  45           HB1      ASN  45  -7.715   4.888 -11.002
  315   1HD2  ASN  45          HD22      ASN  45  -9.385   7.435  -9.282
  316   2HD2  ASN  45          HD21      ASN  45  -9.433   5.903 -10.005
  317    H    GLY  46           HN       GLY  46  -5.151   4.756  -7.398
  318   1HA   GLY  46           HA2      GLY  46  -3.558   6.030  -6.150
  319   2HA   GLY  46           HA1      GLY  46  -3.526   7.227  -7.432
  320    H    THR  47           HN       THR  47  -6.615   6.142  -6.400
  321    HA   THR  47           HA       THR  47  -7.215   8.806  -5.290
  322    HB   THR  47           HB       THR  47  -9.527   7.816  -5.019
  323    HG1  THR  47           HG1      THR  47  -9.847   5.791  -5.981
  324   1HG2  THR  47          HG23      THR  47  -8.852   9.051  -7.042
  325   2HG2  THR  47          HG22      THR  47  -8.255   7.551  -7.752
  326   3HG2  THR  47          HG21      THR  47  -9.978   7.750  -7.430
  327    H    LEU  48           HN       LEU  48  -6.218   5.734  -4.213
  328    HA   LEU  48           HA       LEU  48  -7.304   5.896  -1.518
  329   1HB   LEU  48           HB2      LEU  48  -6.934   3.682  -2.165
  330   2HB   LEU  48           HB1      LEU  48  -5.452   4.081  -3.025
  331    HG   LEU  48           HG       LEU  48  -4.293   4.441  -0.875
  332   1HD1  LEU  48          HD11      LEU  48  -7.053   4.278   0.095
  333   2HD1  LEU  48          HD13      LEU  48  -5.917   3.309   1.034
  334   3HD1  LEU  48          HD12      LEU  48  -5.643   5.040   0.831
  335   1HD2  LEU  48          HD21      LEU  48  -4.998   2.033  -1.997
  336   2HD2  LEU  48          HD23      LEU  48  -3.850   2.223  -0.672
  337   3HD2  LEU  48          HD22      LEU  48  -5.533   1.826  -0.330
  338    H    THR  49           HN       THR  49  -3.963   5.719  -2.607
  339    HA   THR  49           HA       THR  49  -2.017   6.734  -1.835
  340    HB   THR  49           HB       THR  49  -2.123   9.033  -1.543
  341    HG1  THR  49           HG1      THR  49  -3.473   9.948  -0.204
  342   1HG2  THR  49          HG21      THR  49  -3.241   8.446  -3.652
  343   2HG2  THR  49          HG23      THR  49  -4.789   8.376  -2.813
  344   3HG2  THR  49          HG22      THR  49  -3.935   9.911  -2.959
  345    H    LEU  50           HN       LEU  50  -1.187   7.780   0.432
  346    HA   LEU  50           HA       LEU  50  -2.586   6.272   2.554
  347   1HB   LEU  50           HB2      LEU  50  -0.743   5.013   2.707
  348   2HB   LEU  50           HB1      LEU  50   0.016   5.948   1.434
  349    HG   LEU  50           HG       LEU  50   0.031   7.185   4.135
  350   1HD1  LEU  50          HD11      LEU  50   1.193   4.552   3.438
  351   2HD1  LEU  50          HD13      LEU  50   2.168   5.655   4.408
  352   3HD1  LEU  50          HD12      LEU  50   0.581   5.142   4.983
  353   1HD2  LEU  50          HD21      LEU  50   1.632   7.086   1.641
  354   2HD2  LEU  50          HD23      LEU  50   1.366   8.433   2.747
  355   3HD2  LEU  50          HD22      LEU  50   2.564   7.199   3.134
  356    H    SER  51           HN       SER  51  -2.038   7.057   4.763
  357    HA   SER  51           HA       SER  51  -1.907  10.031   4.765
  358   1HB   SER  51           HB2      SER  51  -3.827   8.205   5.860
  359   2HB   SER  51           HB1      SER  51  -2.997   8.941   7.168
  360    HG   SER  51           HG       SER  51  -4.255  10.575   6.801
  361    H    HIS  52           HN       HIS  52  -0.580   7.053   5.900
  362    HA   HIS  52           HA       HIS  52   1.797   8.264   6.920
  363   1HB   HIS  52           HB2      HIS  52   1.521   8.050   9.304
  364   2HB   HIS  52           HB1      HIS  52   0.154   8.989   8.706
  365    HD1  HIS  52           HD1      HIS  52   0.830   6.247  10.870
  366    HD2  HIS  52           HD2      HIS  52  -2.121   7.001   8.022
  367    HE1  HIS  52           HE1      HIS  52  -1.088   4.673  11.386
  368    H    PHE  53           HN       PHE  53   3.359   6.664   7.251
  369    HA   PHE  53           HA       PHE  53   2.720   3.988   6.387
  370   1HB   PHE  53           HB2      PHE  53   5.180   5.235   7.623
  371   2HB   PHE  53           HB1      PHE  53   5.098   3.520   7.221
  372    HD1  PHE  53           HD2      PHE  53   4.645   6.926   5.766
  373    HD2  PHE  53           HD1      PHE  53   5.474   2.781   5.011
  374    HE1  PHE  53           HE2      PHE  53   5.158   7.461   3.402
  375    HE2  PHE  53           HE1      PHE  53   5.992   3.315   2.646
  376    HZ   PHE  53           HZ       PHE  53   5.833   5.655   1.840
  377    H    GLY  54           HN       GLY  54   1.667   2.541   7.638
  378   1HA   GLY  54           HA2      GLY  54   2.350   1.269   9.862
  379   2HA   GLY  54           HA1      GLY  54   1.765   2.774  10.565
  380    H    LYS  55           HN       LYS  55   0.291   0.867  11.397
  381    HA   LYS  55           HA       LYS  55  -1.906   0.243   9.538
  382   1HB   LYS  55           HB2      LYS  55  -2.761  -0.566  12.056
  383   2HB   LYS  55           HB1      LYS  55  -1.981  -1.593  10.858
  384   1HG   LYS  55           HG2      LYS  55   0.186  -1.219  11.840
  385   2HG   LYS  55           HG1      LYS  55  -0.452   0.038  12.901
  386   1HD   LYS  55           HD2      LYS  55  -0.147  -2.155  14.067
  387   2HD   LYS  55           HD1      LYS  55  -1.818  -1.589  14.089
  388   1HE   LYS  55           HE2      LYS  55  -1.295  -3.156  11.704
  389   2HE   LYS  55           HE1      LYS  55  -0.903  -4.076  13.156
  390   1HZ   LYS  55           HZ3      LYS  55  -3.424  -2.556  12.954
  391   2HZ   LYS  55           HZ2      LYS  55  -3.298  -4.122  12.307
  392   3HZ   LYS  55           HZ1      LYS  55  -3.050  -3.863  13.968
  393    H    CYS  56           HN       CYS  56  -3.030   2.114   9.126
  394    HA   CYS  56           HA       CYS  56  -3.539   4.322  10.675
  395   1HB   CYS  56           HB2      CYS  56  -4.698   3.178   8.373
  396   2HB   CYS  56           HB1      CYS  56  -6.039   3.508   9.471
   
  No H/Q in entry =         396
  Start of MODEL          22
 Raw file had  401 H/Q atoms
  Start of MODEL   22
    1   1H    LEU   1           HT1      LEU   1  12.615  13.848   2.932
    2   2H    LEU   1           HT3      LEU   1  11.594  14.936   3.736
    3   3H    LEU   1           HT2      LEU   1  12.135  13.536   4.531
    4    HA   LEU   1           HA       LEU   1  10.900  12.142   3.009
    5   1HB   LEU   1           HB2      LEU   1   8.700  12.663   3.840
    6   2HB   LEU   1           HB1      LEU   1   9.847  13.111   5.104
    7    HG   LEU   1           HG       LEU   1   9.741  15.426   3.661
    8   1HD1  LEU   1          HD12      LEU   1   7.826  14.170   2.367
    9   2HD1  LEU   1          HD11      LEU   1   6.861  14.572   3.788
   10   3HD1  LEU   1          HD13      LEU   1   7.598  15.856   2.830
   11   1HD2  LEU   1          HD22      LEU   1   8.388  14.369   6.095
   12   2HD2  LEU   1          HD21      LEU   1   9.484  15.741   5.925
   13   3HD2  LEU   1          HD23      LEU   1   7.791  15.903   5.462
   14    H    ALA   2           HN       ALA   2   9.855  11.938   1.034
   15    HA   ALA   2           HA       ALA   2   9.810  14.389  -0.657
   16   1HB   ALA   2           HB3      ALA   2  11.083  12.408  -1.480
   17   2HB   ALA   2           HB2      ALA   2   9.586  11.477  -1.478
   18   3HB   ALA   2           HB1      ALA   2   9.765  12.856  -2.561
   19    H    ALA   3           HN       ALA   3   7.753  12.070   0.882
   20    HA   ALA   3           HA       ALA   3   5.381  13.509   0.599
   21   1HB   ALA   3           HB1      ALA   3   6.143  12.418  -1.901
   22   2HB   ALA   3           HB3      ALA   3   4.789  11.446  -1.326
   23   3HB   ALA   3           HB2      ALA   3   4.611  13.192  -1.493
   24    H    VAL   4           HN       VAL   4   3.433  11.552   0.339
   25    HA   VAL   4           HA       VAL   4   4.314   9.427   2.244
   26    HB   VAL   4           HB       VAL   4   1.994   9.668   3.282
   27   1HG1  VAL   4          HG11      VAL   4   4.203  10.557   4.210
   28   2HG1  VAL   4          HG13      VAL   4   3.734  12.127   3.557
   29   3HG1  VAL   4          HG12      VAL   4   2.744  11.357   4.797
   30   1HG2  VAL   4          HG22      VAL   4   1.235  11.108   1.264
   31   2HG2  VAL   4          HG21      VAL   4   0.733  11.629   2.873
   32   3HG2  VAL   4          HG23      VAL   4   2.082  12.431   2.067
   33    H    SER   5           HN       SER   5   4.433   8.261   0.111
   34    HA   SER   5           HA       SER   5   1.980   6.733  -0.290
   35   1HB   SER   5           HB2      SER   5   1.380   7.429  -2.414
   36   2HB   SER   5           HB1      SER   5   1.988   8.953  -1.775
   37    HG   SER   5           HG       SER   5   3.316   8.846  -3.401
   38    H    VAL   6           HN       VAL   6   2.396   4.873  -1.761
   39    HA   VAL   6           HA       VAL   6   5.314   4.247  -1.830
   40    HB   VAL   6           HB       VAL   6   3.491   2.850  -0.497
   41   1HG1  VAL   6          HG11      VAL   6   2.251   2.565  -2.796
   42   2HG1  VAL   6          HG13      VAL   6   3.445   1.293  -3.061
   43   3HG1  VAL   6          HG12      VAL   6   2.351   1.203  -1.681
   44   1HG2  VAL   6          HG21      VAL   6   6.062   2.421  -1.296
   45   2HG2  VAL   6          HG23      VAL   6   5.139   1.290  -0.307
   46   3HG2  VAL   6          HG22      VAL   6   5.248   1.050  -2.050
   47    H    ASP   7           HN       ASP   7   5.249   2.104  -3.601
   48    HA   ASP   7           HA       ASP   7   4.366   3.434  -6.135
   49   1HB   ASP   7           HB2      ASP   7   6.858   3.235  -5.815
   50   2HB   ASP   7           HB1      ASP   7   6.663   1.482  -5.797
   51    H    CYS   8           HN       CYS   8   2.915   2.284  -7.339
   52    HA   CYS   8           HA       CYS   8   2.832  -0.665  -7.085
   53   1HB   CYS   8           HB2      CYS   8   0.262   0.884  -6.819
   54   2HB   CYS   8           HB1      CYS   8   0.590  -0.792  -6.382
   55    H    SER   9           HN       SER   9   3.761   0.517  -9.306
   56    HA   SER   9           HA       SER   9   1.530   0.956 -11.194
   57   1HB   SER   9           HB2      SER   9   3.726   2.303 -11.165
   58   2HB   SER   9           HB1      SER   9   4.471   0.877 -11.880
   59    HG   SER   9           HG       SER   9   2.497   1.101 -13.367
   60    H    GLU  10           HN       GLU  10   2.372  -1.742  -9.902
   61    HA   GLU  10           HA       GLU  10   2.249  -3.250 -12.466
   62   1HB   GLU  10           HB2      GLU  10   4.057  -4.102 -10.197
   63   2HB   GLU  10           HB1      GLU  10   4.000  -4.745 -11.838
   64   1HG   GLU  10           HG2      GLU  10   5.855  -3.329 -11.954
   65   2HG   GLU  10           HG1      GLU  10   4.564  -2.274 -12.529
   66    H    TYR  11           HN       TYR  11   0.676  -2.592  -9.750
   67    HA   TYR  11           HA       TYR  11   0.060  -5.309  -8.891
   68   1HB   TYR  11           HB2      TYR  11  -0.827  -2.554  -8.024
   69   2HB   TYR  11           HB1      TYR  11  -1.536  -4.016  -7.346
   70    HD1  TYR  11           HD2      TYR  11   1.522  -1.993  -7.636
   71    HD2  TYR  11           HD1      TYR  11  -0.205  -5.546  -5.955
   72    HE1  TYR  11           HE2      TYR  11   3.495  -2.249  -6.160
   73    HE2  TYR  11           HE1      TYR  11   1.775  -5.806  -4.472
   74    HH   TYR  11           HH       TYR  11   4.600  -4.476  -4.943
   75    HA   PRO  12           HA       PRO  12  -1.897  -5.774  -7.641
   76   1HB   PRO  12           HB2      PRO  12  -3.266  -8.135  -8.008
   77   2HB   PRO  12           HB1      PRO  12  -4.049  -6.613  -7.547
   78   1HG   PRO  12           HG2      PRO  12  -4.023  -7.984 -10.202
   79   2HG   PRO  12           HG1      PRO  12  -5.247  -6.908  -9.507
   80   1HD   PRO  12           HD2      PRO  12  -3.318  -6.162 -11.423
   81   2HD   PRO  12           HD1      PRO  12  -4.296  -5.064 -10.472
   82    H    LYS  13           HN       LYS  13  -1.013  -7.984  -6.909
   83    HA   LYS  13           HA       LYS  13   0.799  -9.123  -8.998
   84   1HB   LYS  13           HB2      LYS  13   1.439  -7.726  -6.563
   85   2HB   LYS  13           HB1      LYS  13   1.995  -9.394  -6.444
   86   1HG   LYS  13           HG2      LYS  13   2.999  -9.064  -8.782
   87   2HG   LYS  13           HG1      LYS  13   2.703  -7.341  -8.545
   88   1HD   LYS  13           HD2      LYS  13   4.513  -7.146  -7.223
   89   2HD   LYS  13           HD1      LYS  13   3.971  -8.481  -6.205
   90   1HE   LYS  13           HE2      LYS  13   5.951  -9.355  -7.060
   91   2HE   LYS  13           HE1      LYS  13   4.781  -9.958  -8.233
   92   1HZ   LYS  13           HZ2      LYS  13   5.261  -8.002  -9.612
   93   2HZ   LYS  13           HZ1      LYS  13   6.463  -7.528  -8.508
   94   3HZ   LYS  13           HZ3      LYS  13   6.632  -8.977  -9.374
   95    HA   PRO  14           HA       PRO  14  -0.928 -12.941  -7.613
   96   1HB   PRO  14           HB2      PRO  14   0.925 -14.613  -8.766
   97   2HB   PRO  14           HB1      PRO  14  -0.358 -13.790  -9.672
   98   1HG   PRO  14           HG2      PRO  14   2.557 -13.174  -9.564
   99   2HG   PRO  14           HG1      PRO  14   1.389 -12.845 -10.852
  100   1HD   PRO  14           HD2      PRO  14   2.377 -10.961  -9.021
  101   2HD   PRO  14           HD1      PRO  14   0.967 -10.746 -10.033
  102    H    ALA  15           HN       ALA  15   1.507 -11.522  -6.134
  103    HA   ALA  15           HA       ALA  15   1.731 -13.530  -4.060
  104   1HB   ALA  15           HB2      ALA  15   4.107 -12.982  -5.856
  105   2HB   ALA  15           HB1      ALA  15   4.260 -13.691  -4.250
  106   3HB   ALA  15           HB3      ALA  15   3.362 -14.542  -5.507
  107    H    CYS  16           HN       CYS  16   1.299 -12.019  -2.482
  108    HA   CYS  16           HA       CYS  16   2.506  -9.355  -2.571
  109   1HB   CYS  16           HB2      CYS  16   0.778 -10.774  -0.526
  110   2HB   CYS  16           HB1      CYS  16   1.398  -9.140  -0.293
  111    H    THR  17           HN       THR  17   4.156  -8.599  -1.215
  112    HA   THR  17           HA       THR  17   6.223 -10.374  -0.475
  113    HB   THR  17           HB       THR  17   6.833  -8.386   1.139
  114    HG1  THR  17           HG1      THR  17   5.143  -7.129   1.271
  115   1HG2  THR  17          HG21      THR  17   7.778  -8.927  -1.157
  116   2HG2  THR  17          HG23      THR  17   6.583  -7.810  -1.818
  117   3HG2  THR  17          HG22      THR  17   7.819  -7.222  -0.706
  118    H    LEU  18           HN       LEU  18   6.920 -10.008   2.158
  119    HA   LEU  18           HA       LEU  18   4.569 -11.126   3.629
  120   1HB   LEU  18           HB2      LEU  18   6.000 -12.671   4.764
  121   2HB   LEU  18           HB1      LEU  18   6.426 -12.785   3.056
  122    HG   LEU  18           HG       LEU  18   8.140 -10.854   3.739
  123   1HD1  LEU  18          HD13      LEU  18   7.084 -11.792   6.255
  124   2HD1  LEU  18          HD12      LEU  18   8.805 -12.169   6.155
  125   3HD1  LEU  18          HD11      LEU  18   8.253 -10.506   5.960
  126   1HD2  LEU  18          HD21      LEU  18   8.233 -13.715   3.438
  127   2HD2  LEU  18          HD23      LEU  18   9.480 -12.529   3.052
  128   3HD2  LEU  18          HD22      LEU  18   9.397 -13.227   4.671
  129    H    GLU  19           HN       GLU  19   7.361  -9.000   3.700
  130    HA   GLU  19           HA       GLU  19   7.660  -8.398   6.391
  131   1HB   GLU  19           HB2      GLU  19   7.546  -6.497   4.033
  132   2HB   GLU  19           HB1      GLU  19   8.059  -6.008   5.649
  133   1HG   GLU  19           HG2      GLU  19  10.112  -6.862   5.297
  134   2HG   GLU  19           HG1      GLU  19   9.414  -8.433   4.922
  135    H    TYR  20           HN       TYR  20   6.241  -7.795   7.956
  136    HA   TYR  20           HA       TYR  20   3.502  -7.113   7.194
  137   1HB   TYR  20           HB2      TYR  20   4.016  -8.553   9.172
  138   2HB   TYR  20           HB1      TYR  20   4.730  -7.147   9.964
  139    HD1  TYR  20           HD2      TYR  20   1.719  -7.314   7.757
  140    HD2  TYR  20           HD1      TYR  20   3.225  -6.637  11.723
  141    HE1  TYR  20           HE2      TYR  20  -0.530  -6.566   8.482
  142    HE2  TYR  20           HE1      TYR  20   0.974  -5.897  12.451
  143    HH   TYR  20           HH       TYR  20  -1.826  -6.319  10.473
  144    H    ARG  21           HN       ARG  21   4.044  -5.088   6.083
  145    HA   ARG  21           HA       ARG  21   4.519  -2.841   8.001
  146   1HB   ARG  21           HB2      ARG  21   4.953  -2.844   4.997
  147   2HB   ARG  21           HB1      ARG  21   5.397  -1.564   6.128
  148   1HG   ARG  21           HG2      ARG  21   6.471  -4.194   6.870
  149   2HG   ARG  21           HG1      ARG  21   7.067  -3.608   5.316
  150   1HD   ARG  21           HD2      ARG  21   7.360  -1.338   6.655
  151   2HD   ARG  21           HD1      ARG  21   7.407  -2.421   8.046
  152    HE   ARG  21           HE       ARG  21   9.208  -3.073   5.789
  153   1HH1  ARG  21          HH21      ARG  21   8.997  -0.918   8.383
  154   2HH1  ARG  21          HH22      ARG  21  10.517  -1.358   9.087
  155   1HH2  ARG  21          HH11      ARG  21  11.050  -4.015   6.924
  156   2HH2  ARG  21          HH12      ARG  21  11.681  -3.109   8.259
  157    HA   PRO  22           HA       PRO  22   0.156  -2.552   6.774
  158   1HB   PRO  22           HB2      PRO  22  -0.566  -1.198   9.078
  159   2HB   PRO  22           HB1      PRO  22  -0.523  -2.971   8.924
  160   1HG   PRO  22           HG2      PRO  22   1.426  -1.145  10.276
  161   2HG   PRO  22           HG1      PRO  22   1.012  -2.826  10.655
  162   1HD   PRO  22           HD2      PRO  22   3.327  -2.028   9.305
  163   2HD   PRO  22           HD1      PRO  22   2.634  -3.665   9.251
  164    H    LEU  23           HN       LEU  23   0.038  -1.006   5.163
  165    HA   LEU  23           HA       LEU  23   0.939   1.748   5.819
  166   1HB   LEU  23           HB2      LEU  23  -0.006   0.694   3.145
  167   2HB   LEU  23           HB1      LEU  23   0.982   2.124   3.459
  168    HG   LEU  23           HG       LEU  23   2.244  -0.156   4.658
  169   1HD1  LEU  23          HD12      LEU  23   1.555  -0.446   1.720
  170   2HD1  LEU  23          HD11      LEU  23   2.726  -1.438   2.588
  171   3HD1  LEU  23          HD13      LEU  23   1.019  -1.505   3.025
  172   1HD2  LEU  23          HD23      LEU  23   3.304   1.970   3.928
  173   2HD2  LEU  23          HD22      LEU  23   4.102   0.556   3.239
  174   3HD2  LEU  23          HD21      LEU  23   3.004   1.520   2.249
  175    H    CYS  24           HN       CYS  24  -0.523   3.381   6.071
  176    HA   CYS  24           HA       CYS  24  -3.381   2.613   5.851
  177   1HB   CYS  24           HB2      CYS  24  -1.921   4.647   7.525
  178   2HB   CYS  24           HB1      CYS  24  -3.656   4.761   7.278
  179    H    GLY  25           HN       GLY  25  -4.513   3.358   4.193
  180   1HA   GLY  25           HA2      GLY  25  -3.570   5.017   2.146
  181   2HA   GLY  25           HA1      GLY  25  -5.211   4.755   2.487
  182    H    SER  26           HN       SER  26  -5.235   7.163   1.723
  183    HA   SER  26           HA       SER  26  -4.489   8.984   3.967
  184   1HB   SER  26           HB2      SER  26  -5.799  10.561   2.171
  185   2HB   SER  26           HB1      SER  26  -4.078  10.205   2.071
  186    HG   SER  26           HG       SER  26  -5.390   9.797   0.142
  187    H    ASP  27           HN       ASP  27  -6.828   6.863   3.704
  188    HA   ASP  27           HA       ASP  27  -8.943   8.698   4.754
  189   1HB   ASP  27           HB2      ASP  27 -10.628   7.301   3.779
  190   2HB   ASP  27           HB1      ASP  27  -9.438   7.595   2.511
  191    H    ASN  28           HN       ASN  28  -6.731   6.442   5.638
  192    HA   ASN  28           HA       ASN  28  -6.478   5.488   7.794
  193   1HB   ASN  28           HB2      ASN  28  -8.465   6.983   8.476
  194   2HB   ASN  28           HB1      ASN  28  -9.471   5.571   8.156
  195   1HD2  ASN  28          HD22      ASN  28  -7.360   5.750  11.586
  196   2HD2  ASN  28          HD21      ASN  28  -7.445   7.057  10.505
  197    H    LYS  29           HN       LYS  29  -6.837   4.084   5.285
  198    HA   LYS  29           HA       LYS  29  -8.320   1.642   6.161
  199   1HB   LYS  29           HB2      LYS  29  -8.593   2.789   3.803
  200   2HB   LYS  29           HB1      LYS  29  -7.075   1.964   3.441
  201   1HG   LYS  29           HG2      LYS  29  -8.300   0.122   2.996
  202   2HG   LYS  29           HG1      LYS  29  -8.632   0.028   4.725
  203   1HD   LYS  29           HD2      LYS  29 -10.594   1.526   4.402
  204   2HD   LYS  29           HD1      LYS  29 -10.287   1.511   2.665
  205   1HE   LYS  29           HE2      LYS  29 -11.086  -0.612   2.408
  206   2HE   LYS  29           HE1      LYS  29 -10.430  -1.152   3.954
  207   1HZ   LYS  29           HZ2      LYS  29 -12.312   0.633   4.696
  208   2HZ   LYS  29           HZ1      LYS  29 -13.032  -0.086   3.336
  209   3HZ   LYS  29           HZ3      LYS  29 -12.537  -1.050   4.641
  210    H    THR  30           HN       THR  30  -7.107  -0.181   6.744
  211    HA   THR  30           HA       THR  30  -4.158   0.157   6.575
  212    HB   THR  30           HB       THR  30  -5.823  -1.766   8.216
  213    HG1  THR  30           HG1      THR  30  -5.953  -0.060   9.416
  214   1HG2  THR  30          HG21      THR  30  -3.358  -2.345   7.419
  215   2HG2  THR  30          HG23      THR  30  -2.919  -1.210   8.694
  216   3HG2  THR  30          HG22      THR  30  -3.859  -2.650   9.080
  217    H    TYR  31           HN       TYR  31  -2.874  -1.158   5.437
  218    HA   TYR  31           HA       TYR  31  -4.066  -3.586   4.162
  219   1HB   TYR  31           HB2      TYR  31  -2.230  -1.486   2.982
  220   2HB   TYR  31           HB1      TYR  31  -2.418  -3.086   2.262
  221    HD1  TYR  31           HD1      TYR  31  -4.274  -0.015   3.272
  222    HD2  TYR  31           HD2      TYR  31  -4.359  -3.650   0.984
  223    HE1  TYR  31           HE1      TYR  31  -6.376   0.719   2.180
  224    HE2  TYR  31           HE2      TYR  31  -6.456  -2.911  -0.110
  225    HH   TYR  31           HH       TYR  31  -7.608   0.274   0.084
  226    H    GLY  32           HN       GLY  32  -2.984  -5.386   4.785
  227   1HA   GLY  32           HA2      GLY  32  -1.127  -5.645   6.712
  228   2HA   GLY  32           HA1      GLY  32  -1.125  -6.757   5.360
  229    H    ASN  33           HN       ASN  33  -0.044  -5.495   3.288
  230    HA   ASN  33           HA       ASN  33   2.348  -4.043   4.297
  231   1HB   ASN  33           HB2      ASN  33   3.856  -5.415   2.905
  232   2HB   ASN  33           HB1      ASN  33   3.048  -6.372   4.118
  233   1HD2  ASN  33          HD22      ASN  33   2.612  -8.451   1.192
  234   2HD2  ASN  33          HD21      ASN  33   3.745  -8.103   2.407
  235    H    LYS  34           HN       LYS  34   3.697  -3.976   1.833
  236    HA   LYS  34           HA       LYS  34   2.346  -1.794   0.602
  237   1HB   LYS  34           HB2      LYS  34   4.235  -1.920  -0.972
  238   2HB   LYS  34           HB1      LYS  34   4.770  -1.972   0.696
  239   1HG   LYS  34           HG2      LYS  34   5.867  -3.845   0.137
  240   2HG   LYS  34           HG1      LYS  34   4.293  -4.634   0.080
  241   1HD   LYS  34           HD2      LYS  34   4.172  -4.539  -2.226
  242   2HD   LYS  34           HD1      LYS  34   5.179  -3.096  -2.327
  243   1HE   LYS  34           HE2      LYS  34   6.740  -5.202  -1.177
  244   2HE   LYS  34           HE1      LYS  34   5.979  -5.812  -2.648
  245   1HZ   LYS  34           HZ2      LYS  34   6.769  -3.377  -3.422
  246   2HZ   LYS  34           HZ1      LYS  34   8.003  -3.770  -2.322
  247   3HZ   LYS  34           HZ3      LYS  34   7.690  -4.789  -3.641
  248    H    CYS  35           HN       CYS  35   2.530  -5.247  -0.149
  249    HA   CYS  35           HA       CYS  35   1.548  -4.963  -2.842
  250   1HB   CYS  35           HB2      CYS  35   2.723  -6.993  -2.225
  251   2HB   CYS  35           HB1      CYS  35   1.550  -7.330  -0.952
  252    H    ASN  36           HN       ASN  36   0.033  -5.265   0.312
  253    HA   ASN  36           HA       ASN  36  -2.638  -5.709  -0.803
  254   1HB   ASN  36           HB2      ASN  36  -1.495  -5.222   1.934
  255   2HB   ASN  36           HB1      ASN  36  -3.223  -4.979   1.676
  256   1HD2  ASN  36          HD22      ASN  36  -1.674  -8.773   1.461
  257   2HD2  ASN  36          HD21      ASN  36  -0.632  -7.438   1.383
  258    H    PHE  37           HN       PHE  37  -0.861  -3.012   0.659
  259    HA   PHE  37           HA       PHE  37  -2.922  -1.035   0.384
  260   1HB   PHE  37           HB2      PHE  37  -0.806  -0.903   1.713
  261   2HB   PHE  37           HB1      PHE  37   0.071  -0.531   0.331
  262    HD1  PHE  37           HD1      PHE  37  -2.882   0.713   2.238
  263    HD2  PHE  37           HD2      PHE  37   0.189   1.467  -0.630
  264    HE1  PHE  37           HE1      PHE  37  -3.554   3.085   2.160
  265    HE2  PHE  37           HE2      PHE  37  -0.460   3.842  -0.737
  266    HZ   PHE  37           HZ       PHE  37  -2.338   4.678   0.670
  267    H    CYS  38           HN       CYS  38  -0.541  -2.339  -1.628
  268    HA   CYS  38           HA       CYS  38  -0.658  -0.267  -3.670
  269   1HB   CYS  38           HB2      CYS  38   0.607  -2.976  -3.479
  270   2HB   CYS  38           HB1      CYS  38   0.370  -2.280  -5.075
  271    H    ASN  39           HN       ASN  39  -1.833  -3.669  -3.645
  272    HA   ASN  39           HA       ASN  39  -3.210  -3.760  -6.033
  273   1HB   ASN  39           HB2      ASN  39  -4.200  -4.734  -3.330
  274   2HB   ASN  39           HB1      ASN  39  -4.906  -5.207  -4.874
  275   1HD2  ASN  39          HD22      ASN  39  -2.149  -7.601  -3.708
  276   2HD2  ASN  39          HD21      ASN  39  -3.418  -6.888  -2.837
  277    H    ALA  40           HN       ALA  40  -4.103  -1.961  -3.138
  278    HA   ALA  40           HA       ALA  40  -6.718  -1.188  -4.144
  279   1HB   ALA  40           HB1      ALA  40  -4.954  -0.070  -1.942
  280   2HB   ALA  40           HB3      ALA  40  -6.566   0.545  -2.299
  281   3HB   ALA  40           HB2      ALA  40  -6.359  -1.118  -1.750
  282    H    VAL  41           HN       VAL  41  -3.537   0.371  -3.903
  283    HA   VAL  41           HA       VAL  41  -4.109   2.862  -5.058
  284    HB   VAL  41           HB       VAL  41  -1.661   1.101  -5.362
  285   1HG1  VAL  41          HG13      VAL  41  -1.895   2.857  -7.148
  286   2HG1  VAL  41          HG12      VAL  41  -1.909   4.077  -5.873
  287   3HG1  VAL  41          HG11      VAL  41  -0.480   3.072  -6.116
  288   1HG2  VAL  41          HG22      VAL  41  -2.747   2.650  -3.198
  289   2HG2  VAL  41          HG21      VAL  41  -1.259   1.705  -3.228
  290   3HG2  VAL  41          HG23      VAL  41  -1.241   3.397  -3.728
  291    H    VAL  42           HN       VAL  42  -2.975  -0.063  -6.758
  292    HA   VAL  42           HA       VAL  42  -3.312   0.997  -9.372
  293    HB   VAL  42           HB       VAL  42  -1.827  -0.845  -9.043
  294   1HG1  VAL  42          HG11      VAL  42  -4.148  -1.989  -7.565
  295   2HG1  VAL  42          HG13      VAL  42  -3.060  -3.110  -8.381
  296   3HG1  VAL  42          HG12      VAL  42  -2.434  -2.007  -7.157
  297   1HG2  VAL  42          HG22      VAL  42  -3.971  -0.926 -10.863
  298   2HG2  VAL  42          HG21      VAL  42  -2.415  -1.746 -11.007
  299   3HG2  VAL  42          HG23      VAL  42  -3.781  -2.572 -10.259
  300    H    GLU  43           HN       GLU  43  -5.560  -0.539  -7.140
  301    HA   GLU  43           HA       GLU  43  -7.548  -0.904  -9.310
  302   1HB   GLU  43           HB2      GLU  43  -7.116  -2.373  -7.045
  303   2HB   GLU  43           HB1      GLU  43  -8.401  -1.308  -6.507
  304   1HG   GLU  43           HG2      GLU  43  -9.129  -2.127  -9.103
  305   2HG   GLU  43           HG1      GLU  43  -8.567  -3.581  -8.277
  306    H    SER  44           HN       SER  44  -6.447   1.671  -7.714
  307    HA   SER  44           HA       SER  44  -9.163   2.921  -7.572
  308   1HB   SER  44           HB2      SER  44  -8.230   4.369  -5.741
  309   2HB   SER  44           HB1      SER  44  -8.334   2.667  -5.302
  310    HG   SER  44           HG       SER  44  -6.302   3.167  -4.775
  311    H    ASN  45           HN       ASN  45  -6.268   2.870  -9.187
  312    HA   ASN  45           HA       ASN  45  -5.410   4.347 -10.804
  313   1HB   ASN  45           HB2      ASN  45  -8.092   5.319 -10.331
  314   2HB   ASN  45           HB1      ASN  45  -6.986   6.673 -10.500
  315   1HD2  ASN  45          HD22      ASN  45  -7.169   4.050 -13.664
  316   2HD2  ASN  45          HD21      ASN  45  -7.306   3.450 -12.082
  317    H    GLY  46           HN       GLY  46  -5.148   4.512  -7.671
  318   1HA   GLY  46           HA2      GLY  46  -3.442   5.616  -6.433
  319   2HA   GLY  46           HA1      GLY  46  -3.269   6.779  -7.743
  320    H    THR  47           HN       THR  47  -6.505   6.207  -6.811
  321    HA   THR  47           HA       THR  47  -6.737   8.930  -5.758
  322    HB   THR  47           HB       THR  47  -9.118   8.497  -5.705
  323    HG1  THR  47           HG1      THR  47  -9.757   6.270  -6.263
  324   1HG2  THR  47          HG21      THR  47  -7.607   7.382  -8.053
  325   2HG2  THR  47          HG23      THR  47  -9.371   7.367  -8.045
  326   3HG2  THR  47          HG22      THR  47  -8.502   8.898  -7.928
  327    H    LEU  48           HN       LEU  48  -5.916   5.940  -4.458
  328    HA   LEU  48           HA       LEU  48  -7.169   6.270  -1.843
  329   1HB   LEU  48           HB2      LEU  48  -6.796   4.022  -2.389
  330   2HB   LEU  48           HB1      LEU  48  -5.223   4.358  -3.104
  331    HG   LEU  48           HG       LEU  48  -4.208   4.631  -0.952
  332   1HD1  LEU  48          HD11      LEU  48  -7.000   5.069  -0.127
  333   2HD1  LEU  48          HD13      LEU  48  -6.063   4.083   0.994
  334   3HD1  LEU  48          HD12      LEU  48  -5.512   5.703   0.571
  335   1HD2  LEU  48          HD21      LEU  48  -5.969   2.280  -1.405
  336   2HD2  LEU  48          HD23      LEU  48  -4.218   2.351  -1.212
  337   3HD2  LEU  48          HD22      LEU  48  -5.265   2.438   0.205
  338    H    THR  49           HN       THR  49  -3.756   5.755  -2.387
  339    HA   THR  49           HA       THR  49  -1.844   6.918  -1.755
  340    HB   THR  49           HB       THR  49  -1.888   9.176  -1.769
  341    HG1  THR  49           HG1      THR  49  -2.582   9.547   0.240
  342   1HG2  THR  49          HG21      THR  49  -3.983   8.222  -3.268
  343   2HG2  THR  49          HG23      THR  49  -4.755   9.468  -2.288
  344   3HG2  THR  49          HG22      THR  49  -3.378   9.875  -3.308
  345    H    LEU  50           HN       LEU  50  -0.804   7.555   0.352
  346    HA   LEU  50           HA       LEU  50  -2.461   6.557   2.603
  347   1HB   LEU  50           HB2      LEU  50  -0.924   4.922   2.699
  348   2HB   LEU  50           HB1      LEU  50   0.087   5.725   1.508
  349    HG   LEU  50           HG       LEU  50   0.117   6.840   4.269
  350   1HD1  LEU  50          HD13      LEU  50   1.013   4.120   3.437
  351   2HD1  LEU  50          HD12      LEU  50   1.951   5.015   4.633
  352   3HD1  LEU  50          HD11      LEU  50   0.256   4.635   4.942
  353   1HD2  LEU  50          HD21      LEU  50   1.607   7.047   1.858
  354   2HD2  LEU  50          HD23      LEU  50   1.968   7.816   3.403
  355   3HD2  LEU  50          HD22      LEU  50   2.652   6.236   3.024
  356    H    SER  51           HN       SER  51  -1.878   7.442   4.714
  357    HA   SER  51           HA       SER  51  -0.927  10.256   4.467
  358   1HB   SER  51           HB2      SER  51  -3.344   9.150   5.572
  359   2HB   SER  51           HB1      SER  51  -2.400   9.815   6.856
  360    HG   SER  51           HG       SER  51  -2.817  11.213   4.453
  361    H    HIS  52           HN       HIS  52  -0.561   7.181   6.003
  362    HA   HIS  52           HA       HIS  52   1.921   8.017   7.265
  363   1HB   HIS  52           HB2      HIS  52   1.273   7.751   9.567
  364   2HB   HIS  52           HB1      HIS  52   0.115   8.866   8.841
  365    HD1  HIS  52           HD1      HIS  52   0.198   5.944  10.885
  366    HD2  HIS  52           HD2      HIS  52  -2.278   7.209   7.772
  367    HE1  HIS  52           HE1      HIS  52  -1.911   4.549  11.026
  368    H    PHE  53           HN       PHE  53   3.190   6.195   7.749
  369    HA   PHE  53           HA       PHE  53   2.258   3.654   6.687
  370   1HB   PHE  53           HB2      PHE  53   4.774   4.496   8.147
  371   2HB   PHE  53           HB1      PHE  53   4.488   2.836   7.623
  372    HD1  PHE  53           HD2      PHE  53   4.461   6.350   6.326
  373    HD2  PHE  53           HD1      PHE  53   5.075   2.191   5.443
  374    HE1  PHE  53           HE2      PHE  53   5.209   6.945   4.038
  375    HE2  PHE  53           HE1      PHE  53   5.824   2.788   3.155
  376    HZ   PHE  53           HZ       PHE  53   5.891   5.164   2.453
  377    H    GLY  54           HN       GLY  54   2.627   1.623   8.218
  378   1HA   GLY  54           HA2      GLY  54   2.235   0.547  10.271
  379   2HA   GLY  54           HA1      GLY  54   1.960   2.114  11.005
  380    H    LYS  55           HN       LYS  55   0.156   0.467  11.747
  381    HA   LYS  55           HA       LYS  55  -2.132   0.375   9.915
  382   1HB   LYS  55           HB2      LYS  55  -2.946  -0.164  12.622
  383   2HB   LYS  55           HB1      LYS  55  -2.848  -1.274  11.263
  384   1HG   LYS  55           HG2      LYS  55  -0.339  -1.433  11.766
  385   2HG   LYS  55           HG1      LYS  55  -0.717  -0.646  13.300
  386   1HD   LYS  55           HD2      LYS  55  -1.987  -2.444  14.068
  387   2HD   LYS  55           HD1      LYS  55  -2.325  -3.031  12.439
  388   1HE   LYS  55           HE2      LYS  55  -0.053  -3.824  12.185
  389   2HE   LYS  55           HE1      LYS  55   0.424  -3.080  13.711
  390   1HZ   LYS  55           HZ3      LYS  55  -1.292  -4.525  14.784
  391   2HZ   LYS  55           HZ2      LYS  55  -1.433  -5.354  13.308
  392   3HZ   LYS  55           HZ1      LYS  55   0.044  -5.353  14.148
  393    H    CYS  56           HN       CYS  56  -4.129   1.420  10.350
  394    HA   CYS  56           HA       CYS  56  -3.746   4.178  11.147
  395   1HB   CYS  56           HB2      CYS  56  -6.465   3.056  10.621
  396   2HB   CYS  56           HB1      CYS  56  -5.765   4.588  10.106
   
  No H/Q in entry =         396
  Start of MODEL          23
 Raw file had  401 H/Q atoms
  Start of MODEL   23
    1   1H    LEU   1           HT2      LEU   1   1.586  15.103  -7.106
    2   2H    LEU   1           HT1      LEU   1   1.282  16.236  -5.878
    3   3H    LEU   1           HT3      LEU   1   2.569  16.481  -6.955
    4    HA   LEU   1           HA       LEU   1   3.915  15.458  -5.546
    5   1HB   LEU   1           HB2      LEU   1   1.309  14.988  -4.113
    6   2HB   LEU   1           HB1      LEU   1   2.805  14.275  -3.508
    7    HG   LEU   1           HG       LEU   1   2.744  17.195  -4.209
    8   1HD1  LEU   1          HD11      LEU   1   0.773  16.648  -2.704
    9   2HD1  LEU   1          HD13      LEU   1   1.940  16.090  -1.506
   10   3HD1  LEU   1          HD12      LEU   1   1.941  17.777  -2.018
   11   1HD2  LEU   1          HD23      LEU   1   4.232  15.479  -2.197
   12   2HD2  LEU   1          HD22      LEU   1   4.893  16.177  -3.675
   13   3HD2  LEU   1          HD21      LEU   1   4.417  17.227  -2.340
   14    H    ALA   2           HN       ALA   2   4.162  13.066  -4.419
   15    HA   ALA   2           HA       ALA   2   3.067  11.059  -6.332
   16   1HB   ALA   2           HB1      ALA   2   5.386  11.779  -7.020
   17   2HB   ALA   2           HB3      ALA   2   5.972  11.163  -5.476
   18   3HB   ALA   2           HB2      ALA   2   5.248  10.061  -6.648
   19    H    ALA   3           HN       ALA   3   1.710  10.282  -4.638
   20    HA   ALA   3           HA       ALA   3   1.189   9.130  -2.647
   21   1HB   ALA   3           HB1      ALA   3   3.388   7.758  -4.037
   22   2HB   ALA   3           HB3      ALA   3   3.282   7.361  -2.322
   23   3HB   ALA   3           HB2      ALA   3   1.892   7.097  -3.376
   24    H    VAL   4           HN       VAL   4   2.626   8.135  -0.563
   25    HA   VAL   4           HA       VAL   4   4.212  10.495   0.358
   26    HB   VAL   4           HB       VAL   4   2.491   8.654   2.042
   27   1HG1  VAL   4          HG12      VAL   4   4.461  10.787   2.620
   28   2HG1  VAL   4          HG11      VAL   4   2.944  10.900   3.510
   29   3HG1  VAL   4          HG13      VAL   4   3.930   9.442   3.629
   30   1HG2  VAL   4          HG23      VAL   4   1.255  10.203   0.471
   31   2HG2  VAL   4          HG22      VAL   4   0.933  10.495   2.180
   32   3HG2  VAL   4          HG21      VAL   4   2.031  11.555   1.296
   33    H    SER   5           HN       SER   5   5.690   8.791  -0.887
   34    HA   SER   5           HA       SER   5   7.819   7.845  -0.432
   35   1HB   SER   5           HB2      SER   5   7.126   8.347   2.112
   36   2HB   SER   5           HB1      SER   5   6.974   6.595   2.123
   37    HG   SER   5           HG       SER   5   9.098   6.459   1.374
   38    H    VAL   6           HN       VAL   6   5.286   6.666  -1.575
   39    HA   VAL   6           HA       VAL   6   6.216   3.833  -1.438
   40    HB   VAL   6           HB       VAL   6   3.325   4.756  -1.396
   41   1HG1  VAL   6          HG13      VAL   6   4.643   2.064  -1.749
   42   2HG1  VAL   6          HG12      VAL   6   3.024   2.197  -1.066
   43   3HG1  VAL   6          HG11      VAL   6   3.341   2.785  -2.697
   44   1HG2  VAL   6          HG21      VAL   6   4.666   4.865   0.767
   45   2HG2  VAL   6          HG23      VAL   6   3.247   3.819   0.818
   46   3HG2  VAL   6          HG22      VAL   6   4.855   3.117   0.642
   47    H    ASP   7           HN       ASP   7   5.401   2.570  -3.376
   48    HA   ASP   7           HA       ASP   7   4.632   4.196  -5.713
   49   1HB   ASP   7           HB2      ASP   7   7.206   4.203  -5.446
   50   2HB   ASP   7           HB1      ASP   7   7.124   2.501  -5.898
   51    H    CYS   8           HN       CYS   8   3.561   2.927  -7.265
   52    HA   CYS   8           HA       CYS   8   3.681  -0.020  -6.959
   53   1HB   CYS   8           HB2      CYS   8   1.001   1.348  -7.191
   54   2HB   CYS   8           HB1      CYS   8   1.345  -0.310  -6.700
   55    H    SER   9           HN       SER   9   4.903   1.191  -9.031
   56    HA   SER   9           HA       SER   9   3.049   1.499 -11.292
   57   1HB   SER   9           HB2      SER   9   5.822   2.154 -10.729
   58   2HB   SER   9           HB1      SER   9   5.667   1.348 -12.287
   59    HG   SER   9           HG       SER   9   4.646   3.788 -11.399
   60    H    GLU  10           HN       GLU  10   3.821  -1.130  -9.725
   61    HA   GLU  10           HA       GLU  10   3.944  -2.795 -12.198
   62   1HB   GLU  10           HB2      GLU  10   5.531  -4.312 -11.111
   63   2HB   GLU  10           HB1      GLU  10   6.190  -2.680 -11.172
   64   1HG   GLU  10           HG2      GLU  10   4.604  -3.150  -8.764
   65   2HG   GLU  10           HG1      GLU  10   5.990  -4.236  -8.890
   66    H    TYR  11           HN       TYR  11   2.141  -1.947  -9.713
   67    HA   TYR  11           HA       TYR  11   1.326  -4.584  -8.733
   68   1HB   TYR  11           HB2      TYR  11   0.741  -1.719  -8.095
   69   2HB   TYR  11           HB1      TYR  11  -0.422  -2.933  -7.572
   70    HD1  TYR  11           HD2      TYR  11   3.040  -1.733  -7.292
   71    HD2  TYR  11           HD1      TYR  11   0.200  -4.628  -5.888
   72    HE1  TYR  11           HE2      TYR  11   4.575  -2.339  -5.443
   73    HE2  TYR  11           HE1      TYR  11   1.746  -5.244  -4.045
   74    HH   TYR  11           HH       TYR  11   3.774  -4.974  -3.192
   75    HA   PRO  12           HA       PRO  12  -0.629  -4.701  -7.565
   76   1HB   PRO  12           HB2      PRO  12  -2.755  -6.439  -7.513
   77   2HB   PRO  12           HB1      PRO  12  -2.913  -4.691  -7.302
   78   1HG   PRO  12           HG2      PRO  12  -3.769  -6.346  -9.581
   79   2HG   PRO  12           HG1      PRO  12  -4.175  -4.658  -9.226
   80   1HD   PRO  12           HD2      PRO  12  -2.172  -5.691 -11.048
   81   2HD   PRO  12           HD1      PRO  12  -2.710  -4.039 -10.922
   82    H    LYS  13           HN       LYS  13  -1.108  -7.213  -6.655
   83    HA   LYS  13           HA       LYS  13   0.357  -9.062  -8.469
   84   1HB   LYS  13           HB2      LYS  13   1.005  -8.984  -5.536
   85   2HB   LYS  13           HB1      LYS  13   1.992  -9.560  -6.880
   86   1HG   LYS  13           HG2      LYS  13   2.326  -7.271  -7.664
   87   2HG   LYS  13           HG1      LYS  13   1.265  -6.660  -6.394
   88   1HD   LYS  13           HD2      LYS  13   3.390  -6.350  -5.457
   89   2HD   LYS  13           HD1      LYS  13   2.901  -7.903  -4.778
   90   1HE   LYS  13           HE2      LYS  13   5.123  -8.235  -5.580
   91   2HE   LYS  13           HE1      LYS  13   4.072  -8.982  -6.783
   92   1HZ   LYS  13           HZ3      LYS  13   4.509  -6.204  -7.291
   93   2HZ   LYS  13           HZ2      LYS  13   5.965  -7.080  -7.263
   94   3HZ   LYS  13           HZ1      LYS  13   4.716  -7.534  -8.321
   95    HA   PRO  14           HA       PRO  14  -2.875 -11.719  -6.996
   96   1HB   PRO  14           HB2      PRO  14  -1.982 -14.003  -8.233
   97   2HB   PRO  14           HB1      PRO  14  -2.819 -12.692  -9.081
   98   1HG   PRO  14           HG2      PRO  14   0.069 -13.412  -9.125
   99   2HG   PRO  14           HG1      PRO  14  -0.893 -12.561 -10.343
  100   1HD   PRO  14           HD2      PRO  14   0.906 -11.379  -8.524
  101   2HD   PRO  14           HD1      PRO  14  -0.269 -10.525  -9.505
  102    H    ALA  15           HN       ALA  15  -0.029 -11.484  -5.634
  103    HA   ALA  15           HA       ALA  15  -0.502 -13.215  -3.448
  104   1HB   ALA  15           HB2      ALA  15   0.201 -14.767  -5.552
  105   2HB   ALA  15           HB1      ALA  15   1.802 -14.383  -4.917
  106   3HB   ALA  15           HB3      ALA  15   0.609 -15.172  -3.885
  107    H    CYS  16           HN       CYS  16   0.456 -11.874  -1.973
  108    HA   CYS  16           HA       CYS  16   2.982 -10.513  -2.721
  109   1HB   CYS  16           HB2      CYS  16   1.094  -9.213  -1.671
  110   2HB   CYS  16           HB1      CYS  16   1.326 -10.168  -0.213
  111    H    THR  17           HN       THR  17   4.744 -10.472  -1.150
  112    HA   THR  17           HA       THR  17   5.515 -13.074  -0.238
  113    HB   THR  17           HB       THR  17   7.429 -11.925   0.770
  114    HG1  THR  17           HG1      THR  17   6.320  -9.462   0.020
  115   1HG2  THR  17          HG23      THR  17   6.487 -10.986  -1.932
  116   2HG2  THR  17          HG22      THR  17   8.040 -10.460  -1.284
  117   3HG2  THR  17          HG21      THR  17   7.730 -12.176  -1.551
  118    H    LEU  18           HN       LEU  18   6.480 -11.622   2.420
  119    HA   LEU  18           HA       LEU  18   3.886 -11.770   3.847
  120   1HB   LEU  18           HB2      LEU  18   4.949 -13.242   5.585
  121   2HB   LEU  18           HB1      LEU  18   4.754 -14.020   4.015
  122    HG   LEU  18           HG       LEU  18   7.219 -12.865   3.734
  123   1HD1  LEU  18          HD11      LEU  18   7.216 -12.161   6.106
  124   2HD1  LEU  18          HD13      LEU  18   6.978 -13.837   6.598
  125   3HD1  LEU  18          HD12      LEU  18   8.474 -13.358   5.795
  126   1HD2  LEU  18          HD22      LEU  18   6.236 -15.578   4.544
  127   2HD2  LEU  18          HD21      LEU  18   7.046 -15.080   3.059
  128   3HD2  LEU  18          HD23      LEU  18   7.974 -15.283   4.543
  129    H    GLU  19           HN       GLU  19   6.497  -9.916   3.292
  130    HA   GLU  19           HA       GLU  19   7.521  -9.158   5.816
  131   1HB   GLU  19           HB2      GLU  19   6.789  -7.062   3.778
  132   2HB   GLU  19           HB1      GLU  19   8.201  -7.132   4.830
  133   1HG   GLU  19           HG2      GLU  19   7.638  -8.761   2.357
  134   2HG   GLU  19           HG1      GLU  19   9.008  -7.700   2.668
  135    H    TYR  20           HN       TYR  20   6.795  -6.728   6.678
  136    HA   TYR  20           HA       TYR  20   3.846  -6.606   6.682
  137   1HB   TYR  20           HB2      TYR  20   4.577  -8.125   8.579
  138   2HB   TYR  20           HB1      TYR  20   5.312  -6.701   9.318
  139    HD1  TYR  20           HD2      TYR  20   2.143  -6.960   7.331
  140    HD2  TYR  20           HD1      TYR  20   3.927  -6.206  11.170
  141    HE1  TYR  20           HE2      TYR  20  -0.064  -6.255   8.216
  142    HE2  TYR  20           HE1      TYR  20   1.720  -5.507  12.054
  143    HH   TYR  20           HH       TYR  20  -0.809  -4.654  10.224
  144    H    ARG  21           HN       ARG  21   4.480  -4.641   5.505
  145    HA   ARG  21           HA       ARG  21   5.255  -2.413   7.334
  146   1HB   ARG  21           HB2      ARG  21   5.120  -2.029   4.368
  147   2HB   ARG  21           HB1      ARG  21   6.237  -1.321   5.536
  148   1HG   ARG  21           HG2      ARG  21   6.805  -4.041   5.666
  149   2HG   ARG  21           HG1      ARG  21   6.518  -3.761   3.948
  150   1HD   ARG  21           HD2      ARG  21   8.435  -2.583   3.721
  151   2HD   ARG  21           HD1      ARG  21   8.119  -1.645   5.181
  152    HE   ARG  21           HE       ARG  21   9.030  -3.638   6.458
  153   1HH1  ARG  21          HH21      ARG  21   9.160  -4.624   3.326
  154   2HH1  ARG  21          HH22      ARG  21  10.871  -4.883   3.258
  155   1HH2  ARG  21          HH11      ARG  21  11.494  -3.341   6.299
  156   2HH2  ARG  21          HH12      ARG  21  12.191  -4.160   4.942
  157    HA   PRO  22           HA       PRO  22   0.702  -2.352   6.680
  158   1HB   PRO  22           HB2      PRO  22   0.254  -1.095   9.121
  159   2HB   PRO  22           HB1      PRO  22   0.305  -2.865   8.882
  160   1HG   PRO  22           HG2      PRO  22   2.410  -1.030   9.987
  161   2HG   PRO  22           HG1      PRO  22   2.045  -2.709  10.426
  162   1HD   PRO  22           HD2      PRO  22   4.177  -2.005   8.823
  163   2HD   PRO  22           HD1      PRO  22   3.355  -3.579   8.723
  164    H    LEU  23           HN       LEU  23   0.398  -0.731   5.117
  165    HA   LEU  23           HA       LEU  23   1.043   2.046   6.022
  166   1HB   LEU  23           HB2      LEU  23   0.176   1.267   3.243
  167   2HB   LEU  23           HB1      LEU  23   1.142   2.655   3.747
  168    HG   LEU  23           HG       LEU  23   2.151  -0.148   4.201
  169   1HD1  LEU  23          HD13      LEU  23   2.206   1.482   1.667
  170   2HD1  LEU  23          HD12      LEU  23   3.428   0.258   2.015
  171   3HD1  LEU  23          HD11      LEU  23   1.732  -0.204   1.874
  172   1HD2  LEU  23          HD23      LEU  23   3.074   2.490   4.709
  173   2HD2  LEU  23          HD22      LEU  23   3.937   0.975   4.973
  174   3HD2  LEU  23          HD21      LEU  23   4.092   1.821   3.434
  175    H    CYS  24           HN       CYS  24  -0.711   3.122   6.900
  176    HA   CYS  24           HA       CYS  24  -3.408   2.112   6.348
  177   1HB   CYS  24           HB2      CYS  24  -2.597   3.263   8.544
  178   2HB   CYS  24           HB1      CYS  24  -2.860   4.762   7.692
  179    H    GLY  25           HN       GLY  25  -5.076   3.608   5.380
  180   1HA   GLY  25           HA2      GLY  25  -3.808   5.351   3.337
  181   2HA   GLY  25           HA1      GLY  25  -5.035   4.274   2.951
  182    H    SER  26           HN       SER  26  -5.193   7.000   2.385
  183    HA   SER  26           HA       SER  26  -6.473   8.575   4.354
  184   1HB   SER  26           HB2      SER  26  -5.725   9.425   2.135
  185   2HB   SER  26           HB1      SER  26  -7.050   8.551   1.372
  186    HG   SER  26           HG       SER  26  -8.447   9.780   2.818
  187    H    ASP  27           HN       ASP  27  -7.610   5.757   2.753
  188    HA   ASP  27           HA       ASP  27 -10.460   6.381   3.132
  189   1HB   ASP  27           HB2      ASP  27 -10.633   3.855   2.458
  190   2HB   ASP  27           HB1      ASP  27 -10.163   5.039   1.240
  191    H    ASN  28           HN       ASN  28  -8.423   6.069   5.418
  192    HA   ASN  28           HA       ASN  28  -8.447   5.219   7.599
  193   1HB   ASN  28           HB2      ASN  28 -11.329   4.493   7.063
  194   2HB   ASN  28           HB1      ASN  28 -10.586   4.944   8.598
  195   1HD2  ASN  28          HD22      ASN  28 -10.140   8.389   6.934
  196   2HD2  ASN  28          HD21      ASN  28  -9.009   7.144   7.165
  197    H    LYS  29           HN       LYS  29  -8.133   3.313   5.148
  198    HA   LYS  29           HA       LYS  29  -8.761   0.798   6.642
  199   1HB   LYS  29           HB2      LYS  29  -8.012   0.589   3.776
  200   2HB   LYS  29           HB1      LYS  29  -9.262  -0.251   4.683
  201   1HG   LYS  29           HG2      LYS  29 -10.660   1.787   4.664
  202   2HG   LYS  29           HG1      LYS  29  -9.419   2.617   3.727
  203   1HD   LYS  29           HD2      LYS  29 -10.573   1.867   1.917
  204   2HD   LYS  29           HD1      LYS  29  -9.785   0.326   2.257
  205   1HE   LYS  29           HE2      LYS  29 -12.358   1.072   3.635
  206   2HE   LYS  29           HE1      LYS  29 -12.374   0.348   2.026
  207   1HZ   LYS  29           HZ2      LYS  29 -10.761  -1.340   3.131
  208   2HZ   LYS  29           HZ1      LYS  29 -11.481  -0.805   4.573
  209   3HZ   LYS  29           HZ3      LYS  29 -12.438  -1.497   3.356
  210    H    THR  30           HN       THR  30  -7.070  -0.523   7.211
  211    HA   THR  30           HA       THR  30  -4.346   0.476   6.610
  212    HB   THR  30           HB       THR  30  -5.464  -1.490   8.612
  213    HG1  THR  30           HG1      THR  30  -3.979   0.093   9.835
  214   1HG2  THR  30          HG22      THR  30  -2.588  -1.079   7.767
  215   2HG2  THR  30          HG21      THR  30  -3.018  -1.711   9.355
  216   3HG2  THR  30          HG23      THR  30  -3.475  -2.597   7.900
  217    H    TYR  31           HN       TYR  31  -2.828  -0.731   5.502
  218    HA   TYR  31           HA       TYR  31  -3.849  -3.194   4.151
  219   1HB   TYR  31           HB2      TYR  31  -1.842  -1.099   3.273
  220   2HB   TYR  31           HB1      TYR  31  -2.090  -2.620   2.413
  221    HD1  TYR  31           HD2      TYR  31  -4.356  -3.170   1.477
  222    HD2  TYR  31           HD1      TYR  31  -3.414   0.697   3.098
  223    HE1  TYR  31           HE2      TYR  31  -6.359  -2.216   0.369
  224    HE2  TYR  31           HE1      TYR  31  -5.419   1.648   1.991
  225    HH   TYR  31           HH       TYR  31  -7.760  -0.410   0.355
  226    H    GLY  32           HN       GLY  32  -2.878  -5.044   4.770
  227   1HA   GLY  32           HA2      GLY  32  -1.198  -5.506   6.821
  228   2HA   GLY  32           HA1      GLY  32  -1.101  -6.505   5.376
  229    H    ASN  33           HN       ASN  33   0.153  -5.182   3.513
  230    HA   ASN  33           HA       ASN  33   2.384  -3.682   4.727
  231   1HB   ASN  33           HB2      ASN  33   4.065  -5.068   3.460
  232   2HB   ASN  33           HB1      ASN  33   3.298  -5.882   4.801
  233   1HD2  ASN  33          HD22      ASN  33   3.240  -8.161   1.861
  234   2HD2  ASN  33          HD21      ASN  33   4.462  -7.385   2.739
  235    H    LYS  34           HN       LYS  34   4.033  -3.415   2.664
  236    HA   LYS  34           HA       LYS  34   3.022  -1.364   1.164
  237   1HB   LYS  34           HB2      LYS  34   5.004  -1.495  -0.038
  238   2HB   LYS  34           HB1      LYS  34   5.422  -2.397   1.404
  239   1HG   LYS  34           HG2      LYS  34   4.948  -4.519   0.261
  240   2HG   LYS  34           HG1      LYS  34   4.442  -3.634  -1.185
  241   1HD   LYS  34           HD2      LYS  34   7.109  -2.876  -0.200
  242   2HD   LYS  34           HD1      LYS  34   6.987  -4.545  -0.762
  243   1HE   LYS  34           HE2      LYS  34   7.587  -3.000  -2.610
  244   2HE   LYS  34           HE1      LYS  34   6.027  -3.783  -2.891
  245   1HZ   LYS  34           HZ3      LYS  34   4.989  -1.775  -1.886
  246   2HZ   LYS  34           HZ2      LYS  34   6.517  -1.031  -1.892
  247   3HZ   LYS  34           HZ1      LYS  34   5.782  -1.484  -3.356
  248    H    CYS  35           HN       CYS  35   3.111  -4.768   0.036
  249    HA   CYS  35           HA       CYS  35   1.948  -4.232  -2.463
  250   1HB   CYS  35           HB2      CYS  35   1.001  -6.661  -2.113
  251   2HB   CYS  35           HB1      CYS  35   2.722  -6.402  -2.347
  252    H    ASN  36           HN       ASN  36   0.154  -5.649   0.304
  253    HA   ASN  36           HA       ASN  36  -2.410  -5.322  -0.656
  254   1HB   ASN  36           HB2      ASN  36  -1.345  -4.948   2.146
  255   2HB   ASN  36           HB1      ASN  36  -3.072  -4.880   1.784
  256   1HD2  ASN  36          HD22      ASN  36  -1.083  -8.467   1.455
  257   2HD2  ASN  36          HD21      ASN  36  -0.214  -7.018   1.513
  258    H    PHE  37           HN       PHE  37  -0.276  -2.730   0.489
  259    HA   PHE  37           HA       PHE  37  -2.356  -0.699   0.582
  260   1HB   PHE  37           HB2      PHE  37  -0.217  -0.339   1.662
  261   2HB   PHE  37           HB1      PHE  37   0.648  -0.390   0.260
  262    HD1  PHE  37           HD1      PHE  37  -2.477   1.302   1.298
  263    HD2  PHE  37           HD2      PHE  37   1.350   1.587  -0.555
  264    HE1  PHE  37           HE1      PHE  37  -2.930   3.693   0.758
  265    HE2  PHE  37           HE2      PHE  37   0.931   3.971  -1.110
  266    HZ   PHE  37           HZ       PHE  37  -1.221   5.030  -0.460
  267    H    CYS  38           HN       CYS  38   0.020  -1.680  -1.698
  268    HA   CYS  38           HA       CYS  38  -0.630   0.179  -3.791
  269   1HB   CYS  38           HB2      CYS  38   0.791  -2.486  -3.790
  270   2HB   CYS  38           HB1      CYS  38   0.505  -1.595  -5.283
  271    H    ASN  39           HN       ASN  39  -2.038  -2.893  -2.840
  272    HA   ASN  39           HA       ASN  39  -3.438  -3.449  -5.286
  273   1HB   ASN  39           HB2      ASN  39  -4.330  -4.106  -2.456
  274   2HB   ASN  39           HB1      ASN  39  -4.826  -4.924  -3.938
  275   1HD2  ASN  39          HD22      ASN  39  -2.231  -7.198  -2.917
  276   2HD2  ASN  39          HD21      ASN  39  -3.901  -6.919  -2.805
  277    H    ALA  40           HN       ALA  40  -3.843  -1.201  -2.701
  278    HA   ALA  40           HA       ALA  40  -6.624  -0.543  -3.350
  279   1HB   ALA  40           HB2      ALA  40  -5.196  -0.284  -1.074
  280   2HB   ALA  40           HB1      ALA  40  -4.912   1.314  -1.763
  281   3HB   ALA  40           HB3      ALA  40  -6.560   0.769  -1.450
  282    H    VAL  41           HN       VAL  41  -3.388   0.793  -3.825
  283    HA   VAL  41           HA       VAL  41  -4.171   3.222  -5.134
  284    HB   VAL  41           HB       VAL  41  -1.652   1.560  -5.461
  285   1HG1  VAL  41          HG11      VAL  41  -2.371   4.396  -6.211
  286   2HG1  VAL  41          HG13      VAL  41  -0.699   3.866  -6.027
  287   3HG1  VAL  41          HG12      VAL  41  -1.729   3.124  -7.250
  288   1HG2  VAL  41          HG22      VAL  41  -2.503   2.544  -3.125
  289   2HG2  VAL  41          HG21      VAL  41  -0.798   2.585  -3.575
  290   3HG2  VAL  41          HG23      VAL  41  -1.798   4.023  -3.777
  291    H    VAL  42           HN       VAL  42  -3.938  -0.080  -6.163
  292    HA   VAL  42           HA       VAL  42  -4.013   0.609  -9.027
  293    HB   VAL  42           HB       VAL  42  -3.917  -1.837  -9.345
  294   1HG1  VAL  42          HG13      VAL  42  -1.976  -0.209  -8.069
  295   2HG1  VAL  42          HG12      VAL  42  -1.926  -1.778  -7.266
  296   3HG1  VAL  42          HG11      VAL  42  -1.694  -1.672  -9.012
  297   1HG2  VAL  42          HG21      VAL  42  -5.348  -2.245  -7.253
  298   2HG2  VAL  42          HG23      VAL  42  -4.010  -3.349  -7.523
  299   3HG2  VAL  42          HG22      VAL  42  -3.853  -2.055  -6.343
  300    H    GLU  43           HN       GLU  43  -6.188  -0.627  -6.519
  301    HA   GLU  43           HA       GLU  43  -8.332  -1.028  -8.510
  302   1HB   GLU  43           HB2      GLU  43  -7.752  -2.375  -6.217
  303   2HB   GLU  43           HB1      GLU  43  -8.956  -1.246  -5.625
  304   1HG   GLU  43           HG2      GLU  43 -10.616  -2.369  -6.633
  305   2HG   GLU  43           HG1      GLU  43  -9.763  -2.338  -8.176
  306    H    SER  44           HN       SER  44  -7.072   1.620  -7.218
  307    HA   SER  44           HA       SER  44  -9.747   2.917  -6.839
  308   1HB   SER  44           HB2      SER  44  -8.932   4.173  -5.079
  309   2HB   SER  44           HB1      SER  44  -7.916   2.748  -4.884
  310    HG   SER  44           HG       SER  44  -6.246   3.806  -5.749
  311    H    ASN  45           HN       ASN  45  -7.747   2.495  -9.189
  312    HA   ASN  45           HA       ASN  45  -7.136   3.742 -11.079
  313   1HB   ASN  45           HB2      ASN  45  -9.107   5.600  -9.751
  314   2HB   ASN  45           HB1      ASN  45  -8.217   6.106 -11.184
  315   1HD2  ASN  45          HD22      ASN  45 -10.510   2.745 -11.750
  316   2HD2  ASN  45          HD21      ASN  45  -9.507   2.850 -10.384
  317    H    GLY  46           HN       GLY  46  -5.691   3.830  -8.463
  318   1HA   GLY  46           HA2      GLY  46  -3.812   4.886  -7.577
  319   2HA   GLY  46           HA1      GLY  46  -3.595   5.621  -9.159
  320    H    THR  47           HN       THR  47  -6.610   6.192  -7.608
  321    HA   THR  47           HA       THR  47  -5.908   9.039  -7.281
  322    HB   THR  47           HB       THR  47  -8.263   9.418  -7.017
  323    HG1  THR  47           HG1      THR  47  -8.219   6.720  -6.319
  324   1HG2  THR  47          HG21      THR  47  -7.330   8.563  -9.297
  325   2HG2  THR  47          HG23      THR  47  -8.238   7.096  -8.928
  326   3HG2  THR  47          HG22      THR  47  -9.078   8.641  -9.072
  327    H    LEU  48           HN       LEU  48  -5.906   6.214  -5.409
  328    HA   LEU  48           HA       LEU  48  -6.612   7.409  -2.870
  329   1HB   LEU  48           HB2      LEU  48  -6.995   5.108  -2.908
  330   2HB   LEU  48           HB1      LEU  48  -5.557   4.785  -3.877
  331    HG   LEU  48           HG       LEU  48  -5.059   5.976  -1.235
  332   1HD1  LEU  48          HD12      LEU  48  -6.983   4.212  -1.094
  333   2HD1  LEU  48          HD11      LEU  48  -5.662   3.060  -1.302
  334   3HD1  LEU  48          HD13      LEU  48  -5.656   4.170   0.068
  335   1HD2  LEU  48          HD21      LEU  48  -3.635   4.585  -3.220
  336   2HD2  LEU  48          HD23      LEU  48  -3.025   5.090  -1.645
  337   3HD2  LEU  48          HD22      LEU  48  -3.721   3.482  -1.848
  338    H    THR  49           HN       THR  49  -5.082   7.925  -1.216
  339    HA   THR  49           HA       THR  49  -2.264   8.128  -2.163
  340    HB   THR  49           HB       THR  49  -2.024  10.250  -1.123
  341    HG1  THR  49           HG1      THR  49  -3.282  10.901   0.449
  342   1HG2  THR  49          HG22      THR  49  -4.742  10.123  -2.459
  343   2HG2  THR  49          HG21      THR  49  -3.823  11.602  -2.188
  344   3HG2  THR  49          HG23      THR  49  -3.196  10.361  -3.271
  345    H    LEU  50           HN       LEU  50  -0.729   7.488  -0.743
  346    HA   LEU  50           HA       LEU  50  -1.394   5.678   1.314
  347   1HB   LEU  50           HB2      LEU  50   0.755   5.392   0.493
  348   2HB   LEU  50           HB1      LEU  50   1.051   7.120   0.354
  349    HG   LEU  50           HG       LEU  50   1.114   7.181   2.904
  350   1HD1  LEU  50          HD11      LEU  50  -0.037   4.977   3.175
  351   2HD1  LEU  50          HD13      LEU  50   1.390   4.188   2.504
  352   3HD1  LEU  50          HD12      LEU  50   1.501   5.056   4.035
  353   1HD2  LEU  50          HD22      LEU  50   3.049   6.737   1.017
  354   2HD2  LEU  50          HD21      LEU  50   3.380   7.003   2.728
  355   3HD2  LEU  50          HD23      LEU  50   3.295   5.360   2.092
  356    H    SER  51           HN       SER  51  -1.728   6.054   3.519
  357    HA   SER  51           HA       SER  51  -2.206   8.776   4.356
  358   1HB   SER  51           HB2      SER  51  -3.367   7.810   6.043
  359   2HB   SER  51           HB1      SER  51  -3.598   6.558   4.934
  360    HG   SER  51           HG       SER  51  -2.542   6.513   7.303
  361    H    HIS  52           HN       HIS  52  -0.377   6.048   5.719
  362    HA   HIS  52           HA       HIS  52   1.984   7.641   6.254
  363   1HB   HIS  52           HB2      HIS  52   1.824   7.675   8.682
  364   2HB   HIS  52           HB1      HIS  52   0.372   8.435   8.026
  365    HD1  HIS  52           HD1      HIS  52   0.488   6.931  10.842
  366    HD2  HIS  52           HD2      HIS  52  -0.978   5.321   7.278
  367    HE1  HIS  52           HE1      HIS  52  -1.076   5.037  11.479
  368    H    PHE  53           HN       PHE  53   3.738   6.253   6.850
  369    HA   PHE  53           HA       PHE  53   3.318   3.443   6.350
  370   1HB   PHE  53           HB2      PHE  53   5.660   5.062   7.306
  371   2HB   PHE  53           HB1      PHE  53   5.707   3.295   7.326
  372    HD1  PHE  53           HD2      PHE  53   4.809   6.147   5.086
  373    HD2  PHE  53           HD1      PHE  53   6.309   2.136   5.387
  374    HE1  PHE  53           HE2      PHE  53   5.236   6.128   2.651
  375    HE2  PHE  53           HE1      PHE  53   6.740   2.113   2.946
  376    HZ   PHE  53           HZ       PHE  53   6.206   4.107   1.579
  377    H    GLY  54           HN       GLY  54   2.156   2.331   7.750
  378   1HA   GLY  54           HA2      GLY  54   2.812   1.137  10.016
  379   2HA   GLY  54           HA1      GLY  54   2.405   2.703  10.646
  380    H    LYS  55           HN       LYS  55   0.858   0.856  11.611
  381    HA   LYS  55           HA       LYS  55  -1.579   0.611   9.952
  382   1HB   LYS  55           HB2      LYS  55  -2.232  -0.412  12.444
  383   2HB   LYS  55           HB1      LYS  55  -1.669  -1.358  11.070
  384   1HG   LYS  55           HG2      LYS  55   0.673  -1.051  11.852
  385   2HG   LYS  55           HG1      LYS  55   0.066  -0.176  13.259
  386   1HD   LYS  55           HD2      LYS  55  -0.518  -2.084  14.317
  387   2HD   LYS  55           HD1      LYS  55  -1.285  -2.739  12.870
  388   1HE   LYS  55           HE2      LYS  55   0.453  -4.171  12.738
  389   2HE   LYS  55           HE1      LYS  55   1.436  -2.784  12.266
  390   1HZ   LYS  55           HZ2      LYS  55   0.978  -3.020  15.106
  391   2HZ   LYS  55           HZ1      LYS  55   1.878  -4.297  14.439
  392   3HZ   LYS  55           HZ3      LYS  55   2.416  -2.698  14.260
  393    H    CYS  56           HN       CYS  56  -3.330   1.933  10.228
  394    HA   CYS  56           HA       CYS  56  -3.264   4.390  11.477
  395   1HB   CYS  56           HB2      CYS  56  -5.454   2.539  10.713
  396   2HB   CYS  56           HB1      CYS  56  -5.885   3.816  11.851
   
  No H/Q in entry =         396
  Start of MODEL          24
 Raw file had  401 H/Q atoms
  Start of MODEL   24
    1   1H    LEU   1           HT2      LEU   1  11.365   5.208   5.378
    2   2H    LEU   1           HT1      LEU   1  11.203   3.741   4.538
    3   3H    LEU   1           HT3      LEU   1  11.722   3.740   6.153
    4    HA   LEU   1           HA       LEU   1  13.822   4.457   5.655
    5   1HB   LEU   1           HB2      LEU   1  13.000   3.076   3.085
    6   2HB   LEU   1           HB1      LEU   1  14.611   3.112   3.803
    7    HG   LEU   1           HG       LEU   1  12.687   2.162   5.740
    8   1HD1  LEU   1          HD12      LEU   1  11.889   1.473   3.201
    9   2HD1  LEU   1          HD11      LEU   1  12.925   0.112   3.635
   10   3HD1  LEU   1          HD13      LEU   1  11.543   0.528   4.650
   11   1HD2  LEU   1          HD21      LEU   1  15.098   0.965   4.339
   12   2HD2  LEU   1          HD23      LEU   1  15.068   1.743   5.921
   13   3HD2  LEU   1          HD22      LEU   1  14.264   0.190   5.687
   14    H    ALA   2           HN       ALA   2  12.569   6.791   5.276
   15    HA   ALA   2           HA       ALA   2  12.974   8.842   4.184
   16   1HB   ALA   2           HB1      ALA   2  15.136   7.377   3.434
   17   2HB   ALA   2           HB3      ALA   2  14.362   7.618   1.867
   18   3HB   ALA   2           HB2      ALA   2  14.821   9.010   2.848
   19    H    ALA   3           HN       ALA   3  11.770   9.965   2.635
   20    HA   ALA   3           HA       ALA   3  10.288  10.277   0.828
   21   1HB   ALA   3           HB2      ALA   3  11.846   8.210  -0.051
   22   2HB   ALA   3           HB1      ALA   3  10.258   7.444  -0.014
   23   3HB   ALA   3           HB3      ALA   3  10.512   8.902  -0.974
   24    H    VAL   4           HN       VAL   4   8.248  10.556   1.575
   25    HA   VAL   4           HA       VAL   4   6.915   8.288   2.963
   26    HB   VAL   4           HB       VAL   4   5.172  10.187   3.418
   27   1HG1  VAL   4          HG13      VAL   4   7.736   9.496   4.654
   28   2HG1  VAL   4          HG12      VAL   4   7.198  11.125   5.066
   29   3HG1  VAL   4          HG11      VAL   4   6.159   9.741   5.404
   30   1HG2  VAL   4          HG21      VAL   4   6.263  11.717   1.725
   31   2HG2  VAL   4          HG23      VAL   4   6.065  12.432   3.325
   32   3HG2  VAL   4          HG22      VAL   4   7.644  11.835   2.815
   33    H    SER   5           HN       SER   5   6.707   7.278   0.743
   34    HA   SER   5           HA       SER   5   4.096   7.289  -0.219
   35   1HB   SER   5           HB2      SER   5   4.046   9.427  -1.101
   36   2HB   SER   5           HB1      SER   5   5.782   9.460  -1.391
   37    HG   SER   5           HG       SER   5   3.707   8.384  -2.931
   38    H    VAL   6           HN       VAL   6   3.903   5.572  -1.650
   39    HA   VAL   6           HA       VAL   6   6.469   4.525  -2.777
   40    HB   VAL   6           HB       VAL   6   4.000   2.959  -1.972
   41   1HG1  VAL   6          HG11      VAL   6   6.672   2.241  -3.162
   42   2HG1  VAL   6          HG13      VAL   6   5.799   1.077  -2.166
   43   3HG1  VAL   6          HG12      VAL   6   5.066   1.698  -3.644
   44   1HG2  VAL   6          HG21      VAL   6   5.202   3.906  -0.029
   45   2HG2  VAL   6          HG23      VAL   6   5.408   2.156  -0.107
   46   3HG2  VAL   6          HG22      VAL   6   6.712   3.221  -0.630
   47    H    ASP   7           HN       ASP   7   6.164   3.226  -4.803
   48    HA   ASP   7           HA       ASP   7   4.044   4.471  -6.499
   49   1HB   ASP   7           HB2      ASP   7   6.287   4.974  -7.295
   50   2HB   ASP   7           HB1      ASP   7   6.732   3.268  -7.229
   51    H    CYS   8           HN       CYS   8   3.236   2.976  -8.279
   52    HA   CYS   8           HA       CYS   8   3.368   0.101  -7.559
   53   1HB   CYS   8           HB2      CYS   8   0.708   1.482  -7.991
   54   2HB   CYS   8           HB1      CYS   8   0.992  -0.159  -7.410
   55    H    SER   9           HN       SER   9   4.642   1.038  -9.735
   56    HA   SER   9           HA       SER   9   2.867   1.031 -12.069
   57   1HB   SER   9           HB2      SER   9   4.639   2.379 -12.618
   58   2HB   SER   9           HB1      SER   9   5.748   1.520 -11.552
   59    HG   SER   9           HG       SER   9   6.419   0.731 -13.399
   60    H    GLU  10           HN       GLU  10   3.866  -1.348 -10.115
   61    HA   GLU  10           HA       GLU  10   3.957  -3.329 -12.357
   62   1HB   GLU  10           HB2      GLU  10   5.452  -4.719 -10.998
   63   2HB   GLU  10           HB1      GLU  10   6.164  -3.121 -11.225
   64   1HG   GLU  10           HG2      GLU  10   4.446  -3.158  -8.889
   65   2HG   GLU  10           HG1      GLU  10   5.685  -4.408  -8.776
   66    H    TYR  11           HN       TYR  11   2.294  -2.220  -9.661
   67    HA   TYR  11           HA       TYR  11   1.261  -4.785  -8.747
   68   1HB   TYR  11           HB2      TYR  11   0.830  -1.882  -8.097
   69   2HB   TYR  11           HB1      TYR  11  -0.318  -3.069  -7.495
   70    HD1  TYR  11           HD2      TYR  11   3.163  -1.888  -7.391
   71    HD2  TYR  11           HD1      TYR  11   0.384  -4.776  -5.841
   72    HE1  TYR  11           HE2      TYR  11   4.778  -2.484  -5.610
   73    HE2  TYR  11           HE1      TYR  11   2.009  -5.375  -4.051
   74    HH   TYR  11           HH       TYR  11   5.079  -4.849  -4.119
   75    HA   PRO  12           HA       PRO  12  -0.710  -4.797  -7.576
   76   1HB   PRO  12           HB2      PRO  12  -2.907  -6.456  -7.594
   77   2HB   PRO  12           HB1      PRO  12  -3.001  -4.709  -7.333
   78   1HG   PRO  12           HG2      PRO  12  -3.882  -6.266  -9.676
   79   2HG   PRO  12           HG1      PRO  12  -4.246  -4.582  -9.271
   80   1HD   PRO  12           HD2      PRO  12  -2.265  -5.605 -11.104
   81   2HD   PRO  12           HD1      PRO  12  -2.728  -3.944 -10.923
   82    H    LYS  13           HN       LYS  13  -0.652  -7.075  -6.555
   83    HA   LYS  13           HA       LYS  13   0.391  -9.060  -8.533
   84   1HB   LYS  13           HB2      LYS  13   1.536  -9.028  -5.784
   85   2HB   LYS  13           HB1      LYS  13   2.313  -9.390  -7.322
   86   1HG   LYS  13           HG2      LYS  13   2.138  -6.932  -7.889
   87   2HG   LYS  13           HG1      LYS  13   1.611  -6.658  -6.227
   88   1HD   LYS  13           HD2      LYS  13   3.846  -6.403  -5.840
   89   2HD   LYS  13           HD1      LYS  13   3.827  -8.166  -5.786
   90   1HE   LYS  13           HE2      LYS  13   4.025  -7.716  -8.480
   91   2HE   LYS  13           HE1      LYS  13   4.948  -6.359  -7.833
   92   1HZ   LYS  13           HZ3      LYS  13   5.570  -8.732  -6.426
   93   2HZ   LYS  13           HZ2      LYS  13   5.784  -8.980  -8.092
   94   3HZ   LYS  13           HZ1      LYS  13   6.600  -7.714  -7.306
   95    HA   PRO  14           HA       PRO  14  -2.481 -11.719  -6.467
   96   1HB   PRO  14           HB2      PRO  14  -1.658 -14.063  -7.640
   97   2HB   PRO  14           HB1      PRO  14  -2.647 -12.846  -8.467
   98   1HG   PRO  14           HG2      PRO  14   0.243 -13.472  -8.826
   99   2HG   PRO  14           HG1      PRO  14  -0.901 -12.756  -9.973
  100   1HD   PRO  14           HD2      PRO  14   1.056 -11.361  -8.501
  101   2HD   PRO  14           HD1      PRO  14  -0.283 -10.636  -9.370
  102    H    ALA  15           HN       ALA  15   0.512 -11.305  -5.515
  103    HA   ALA  15           HA       ALA  15   0.335 -13.275  -3.351
  104   1HB   ALA  15           HB3      ALA  15   2.173 -13.604  -5.631
  105   2HB   ALA  15           HB2      ALA  15   2.968 -13.661  -4.058
  106   3HB   ALA  15           HB1      ALA  15   1.658 -14.782  -4.424
  107    H    CYS  16           HN       CYS  16   0.451 -11.711  -1.772
  108    HA   CYS  16           HA       CYS  16   2.284  -9.441  -2.034
  109   1HB   CYS  16           HB2      CYS  16   0.484 -10.348   0.233
  110   2HB   CYS  16           HB1      CYS  16   1.436  -8.864   0.256
  111    H    THR  17           HN       THR  17   4.127  -9.073  -0.714
  112    HA   THR  17           HA       THR  17   5.772 -11.304  -0.142
  113    HB   THR  17           HB       THR  17   7.256  -9.759   0.935
  114    HG1  THR  17           HG1      THR  17   4.897  -8.249   1.315
  115   1HG2  THR  17          HG22      THR  17   6.467  -9.364  -1.558
  116   2HG2  THR  17          HG21      THR  17   5.802  -7.876  -0.884
  117   3HG2  THR  17          HG23      THR  17   7.531  -8.203  -0.764
  118    H    LEU  18           HN       LEU  18   6.679 -11.054   2.488
  119    HA   LEU  18           HA       LEU  18   4.225 -11.809   4.016
  120   1HB   LEU  18           HB2      LEU  18   5.617 -13.392   5.281
  121   2HB   LEU  18           HB1      LEU  18   5.710 -13.740   3.555
  122    HG   LEU  18           HG       LEU  18   7.726 -11.801   4.374
  123   1HD1  LEU  18          HD13      LEU  18   7.526 -13.107   6.501
  124   2HD1  LEU  18          HD12      LEU  18   7.873 -14.575   5.589
  125   3HD1  LEU  18          HD11      LEU  18   9.092 -13.307   5.716
  126   1HD2  LEU  18          HD21      LEU  18   7.519 -13.286   2.266
  127   2HD2  LEU  18          HD23      LEU  18   9.114 -13.151   3.005
  128   3HD2  LEU  18          HD22      LEU  18   8.132 -14.589   3.284
  129    H    GLU  19           HN       GLU  19   7.252 -10.022   4.049
  130    HA   GLU  19           HA       GLU  19   7.473  -9.384   6.776
  131   1HB   GLU  19           HB2      GLU  19   7.953  -7.693   4.309
  132   2HB   GLU  19           HB1      GLU  19   8.337  -7.127   5.936
  133   1HG   GLU  19           HG2      GLU  19  10.290  -8.235   5.828
  134   2HG   GLU  19           HG1      GLU  19   9.393  -9.749   5.718
  135    H    TYR  20           HN       TYR  20   6.207  -8.157   8.171
  136    HA   TYR  20           HA       TYR  20   3.667  -7.175   7.047
  137   1HB   TYR  20           HB2      TYR  20   3.708  -8.537   9.149
  138   2HB   TYR  20           HB1      TYR  20   4.531  -7.194   9.945
  139    HD1  TYR  20           HD2      TYR  20   1.786  -7.149   7.386
  140    HD2  TYR  20           HD1      TYR  20   2.958  -6.267  11.428
  141    HE1  TYR  20           HE2      TYR  20  -0.392  -6.018   7.770
  142    HE2  TYR  20           HE1      TYR  20   0.784  -5.139  11.809
  143    HH   TYR  20           HH       TYR  20  -1.177  -4.590  10.948
  144    H    ARG  21           HN       ARG  21   4.521  -5.349   5.916
  145    HA   ARG  21           HA       ARG  21   5.260  -3.053   7.690
  146   1HB   ARG  21           HB2      ARG  21   5.644  -3.116   4.692
  147   2HB   ARG  21           HB1      ARG  21   6.460  -2.100   5.882
  148   1HG   ARG  21           HG2      ARG  21   7.116  -4.618   6.757
  149   2HG   ARG  21           HG1      ARG  21   7.092  -4.841   5.007
  150   1HD   ARG  21           HD2      ARG  21   8.455  -2.410   6.083
  151   2HD   ARG  21           HD1      ARG  21   9.277  -3.961   6.257
  152    HE   ARG  21           HE       ARG  21   8.274  -3.403   3.554
  153   1HH1  ARG  21          HH11      ARG  21  10.591  -1.856   5.345
  154   2HH1  ARG  21          HH12      ARG  21  11.942  -2.322   4.366
  155   1HH2  ARG  21          HH21      ARG  21  10.130  -4.602   2.481
  156   2HH2  ARG  21          HH22      ARG  21  11.681  -3.876   2.744
  157    HA   PRO  22           HA       PRO  22   0.874  -2.714   6.263
  158   1HB   PRO  22           HB2      PRO  22   0.080  -1.487   8.621
  159   2HB   PRO  22           HB1      PRO  22   0.068  -3.252   8.339
  160   1HG   PRO  22           HG2      PRO  22   2.028  -1.576   9.869
  161   2HG   PRO  22           HG1      PRO  22   1.511  -3.246  10.164
  162   1HD   PRO  22           HD2      PRO  22   3.926  -2.586   8.995
  163   2HD   PRO  22           HD1      PRO  22   3.082  -4.126   8.723
  164    H    LEU  23           HN       LEU  23   0.380  -1.043   4.932
  165    HA   LEU  23           HA       LEU  23   1.271   1.673   5.803
  166   1HB   LEU  23           HB2      LEU  23   0.303   0.625   3.116
  167   2HB   LEU  23           HB1      LEU  23   0.916   2.241   3.419
  168    HG   LEU  23           HG       LEU  23   2.511  -0.253   4.006
  169   1HD1  LEU  23          HD11      LEU  23   1.893  -0.147   1.609
  170   2HD1  LEU  23          HD13      LEU  23   2.582   1.474   1.521
  171   3HD1  LEU  23          HD12      LEU  23   3.622   0.089   1.861
  172   1HD2  LEU  23          HD21      LEU  23   3.164   2.687   3.720
  173   2HD2  LEU  23          HD23      LEU  23   3.344   1.680   5.158
  174   3HD2  LEU  23          HD22      LEU  23   4.396   1.425   3.765
  175    H    CYS  24           HN       CYS  24  -0.522   3.388   5.702
  176    HA   CYS  24           HA       CYS  24  -3.210   2.053   5.890
  177   1HB   CYS  24           HB2      CYS  24  -2.674   2.816   8.095
  178   2HB   CYS  24           HB1      CYS  24  -2.121   4.355   7.516
  179    H    GLY  25           HN       GLY  25  -4.932   3.010   4.744
  180   1HA   GLY  25           HA2      GLY  25  -4.117   5.188   2.913
  181   2HA   GLY  25           HA1      GLY  25  -5.406   4.148   2.649
  182    H    SER  26           HN       SER  26  -5.223   7.066   2.630
  183    HA   SER  26           HA       SER  26  -6.164   8.419   4.848
  184   1HB   SER  26           HB2      SER  26  -5.664   9.456   2.634
  185   2HB   SER  26           HB1      SER  26  -7.179   8.811   2.010
  186    HG   SER  26           HG       SER  26  -7.223  10.286   4.388
  187    H    ASP  27           HN       ASP  27  -7.899   5.985   3.060
  188    HA   ASP  27           HA       ASP  27 -10.517   6.842   4.107
  189   1HB   ASP  27           HB2      ASP  27 -11.266   4.659   2.994
  190   2HB   ASP  27           HB1      ASP  27 -10.619   5.897   1.918
  191    H    ASN  28           HN       ASN  28  -8.269   5.984   5.901
  192    HA   ASN  28           HA       ASN  28  -7.979   4.685   7.826
  193   1HB   ASN  28           HB2      ASN  28 -10.087   5.724   8.484
  194   2HB   ASN  28           HB1      ASN  28 -10.998   4.544   7.542
  195   1HD2  ASN  28          HD22      ASN  28 -10.999   2.164  10.127
  196   2HD2  ASN  28          HD21      ASN  28 -11.626   2.669   8.633
  197    H    LYS  29           HN       LYS  29  -8.143   3.396   5.057
  198    HA   LYS  29           HA       LYS  29  -8.953   0.645   5.854
  199   1HB   LYS  29           HB2      LYS  29  -9.605   1.792   3.594
  200   2HB   LYS  29           HB1      LYS  29  -7.947   1.417   3.126
  201   1HG   LYS  29           HG2      LYS  29  -8.285  -0.932   3.462
  202   2HG   LYS  29           HG1      LYS  29  -9.839  -0.658   4.251
  203   1HD   LYS  29           HD2      LYS  29 -10.797   0.175   2.170
  204   2HD   LYS  29           HD1      LYS  29  -9.234   0.039   1.363
  205   1HE   LYS  29           HE2      LYS  29  -9.685  -2.488   2.504
  206   2HE   LYS  29           HE1      LYS  29 -11.239  -2.010   1.819
  207   1HZ   LYS  29           HZ1      LYS  29  -9.170  -1.322   0.036
  208   2HZ   LYS  29           HZ3      LYS  29  -9.004  -2.954   0.468
  209   3HZ   LYS  29           HZ2      LYS  29 -10.463  -2.398  -0.201
  210    H    THR  30           HN       THR  30  -7.239  -0.132   7.065
  211    HA   THR  30           HA       THR  30  -4.477   0.437   6.399
  212    HB   THR  30           HB       THR  30  -5.626  -1.736   8.177
  213    HG1  THR  30           HG1      THR  30  -5.760  -0.241   9.636
  214   1HG2  THR  30          HG21      THR  30  -2.840  -0.708   7.664
  215   2HG2  THR  30          HG23      THR  30  -3.260  -1.453   9.206
  216   3HG2  THR  30          HG22      THR  30  -3.408  -2.376   7.710
  217    H    TYR  31           HN       TYR  31  -3.307  -0.547   4.832
  218    HA   TYR  31           HA       TYR  31  -4.343  -3.063   3.702
  219   1HB   TYR  31           HB2      TYR  31  -2.068  -2.186   2.264
  220   2HB   TYR  31           HB1      TYR  31  -3.721  -2.157   1.746
  221    HD1  TYR  31           HD2      TYR  31  -1.106  -0.320   3.310
  222    HD2  TYR  31           HD1      TYR  31  -5.036  -0.022   1.728
  223    HE1  TYR  31           HE2      TYR  31  -0.940   2.183   3.276
  224    HE2  TYR  31           HE1      TYR  31  -4.883   2.430   1.687
  225    HH   TYR  31           HH       TYR  31  -3.251   4.136   1.660
  226    H    GLY  32           HN       GLY  32  -3.525  -4.854   4.572
  227   1HA   GLY  32           HA2      GLY  32  -1.928  -5.571   6.467
  228   2HA   GLY  32           HA1      GLY  32  -1.691  -6.412   4.942
  229    H    ASN  33           HN       ASN  33  -0.305  -4.850   3.388
  230    HA   ASN  33           HA       ASN  33   1.768  -3.378   4.778
  231   1HB   ASN  33           HB2      ASN  33   3.599  -4.966   3.841
  232   2HB   ASN  33           HB1      ASN  33   2.764  -5.430   5.308
  233   1HD2  ASN  33          HD22      ASN  33   2.828  -8.184   2.620
  234   2HD2  ASN  33          HD21      ASN  33   4.045  -7.101   3.093
  235    H    LYS  34           HN       LYS  34   3.752  -3.408   2.915
  236    HA   LYS  34           HA       LYS  34   3.056  -1.555   1.077
  237   1HB   LYS  34           HB2      LYS  34   5.118  -1.941   0.128
  238   2HB   LYS  34           HB1      LYS  34   5.320  -2.769   1.655
  239   1HG   LYS  34           HG2      LYS  34   4.794  -4.916   0.612
  240   2HG   LYS  34           HG1      LYS  34   4.484  -4.112  -0.931
  241   1HD   LYS  34           HD2      LYS  34   7.122  -3.605   0.363
  242   2HD   LYS  34           HD1      LYS  34   6.867  -5.195  -0.358
  243   1HE   LYS  34           HE2      LYS  34   7.533  -4.155  -2.276
  244   2HE   LYS  34           HE1      LYS  34   5.862  -3.593  -2.318
  245   1HZ   LYS  34           HZ2      LYS  34   6.675  -1.672  -0.916
  246   2HZ   LYS  34           HZ1      LYS  34   8.251  -2.158  -1.327
  247   3HZ   LYS  34           HZ3      LYS  34   7.168  -1.682  -2.542
  248    H    CYS  35           HN       CYS  35   2.985  -5.082   0.305
  249    HA   CYS  35           HA       CYS  35   1.983  -4.755  -2.311
  250   1HB   CYS  35           HB2      CYS  35   2.832  -6.901  -1.636
  251   2HB   CYS  35           HB1      CYS  35   1.648  -7.021  -0.335
  252    H    ASN  36           HN       ASN  36   0.132  -5.437   0.687
  253    HA   ASN  36           HA       ASN  36  -2.437  -5.314  -0.518
  254   1HB   ASN  36           HB2      ASN  36  -1.584  -4.554   2.287
  255   2HB   ASN  36           HB1      ASN  36  -3.259  -4.648   1.764
  256   1HD2  ASN  36          HD22      ASN  36  -1.164  -8.167   2.119
  257   2HD2  ASN  36          HD21      ASN  36  -0.303  -6.722   1.939
  258    H    PHE  37           HN       PHE  37  -0.166  -2.797   0.238
  259    HA   PHE  37           HA       PHE  37  -2.194  -0.723   0.275
  260   1HB   PHE  37           HB2      PHE  37  -0.095  -0.335   1.451
  261   2HB   PHE  37           HB1      PHE  37   0.806  -0.442   0.081
  262    HD1  PHE  37           HD1      PHE  37  -2.475   1.058   0.500
  263    HD2  PHE  37           HD2      PHE  37   1.641   1.739  -0.323
  264    HE1  PHE  37           HE1      PHE  37  -3.025   3.398  -0.013
  265    HE2  PHE  37           HE2      PHE  37   1.141   4.113  -0.877
  266    HZ   PHE  37           HZ       PHE  37  -1.198   4.954  -0.720
  267    H    CYS  38           HN       CYS  38   0.531  -1.240  -1.873
  268    HA   CYS  38           HA       CYS  38  -0.183   0.457  -3.948
  269   1HB   CYS  38           HB2      CYS  38   1.395  -2.043  -3.778
  270   2HB   CYS  38           HB1      CYS  38   0.757  -1.676  -5.379
  271    H    ASN  39           HN       ASN  39  -1.670  -2.550  -2.995
  272    HA   ASN  39           HA       ASN  39  -3.206  -2.891  -5.435
  273   1HB   ASN  39           HB2      ASN  39  -3.731  -3.891  -2.612
  274   2HB   ASN  39           HB1      ASN  39  -4.584  -4.433  -4.058
  275   1HD2  ASN  39          HD21      ASN  39  -3.555  -6.603  -3.209
  276   2HD2  ASN  39          HD22      ASN  39  -2.011  -6.978  -3.804
  277    H    ALA  40           HN       ALA  40  -3.945  -1.610  -2.171
  278    HA   ALA  40           HA       ALA  40  -6.554  -0.623  -2.684
  279   1HB   ALA  40           HB2      ALA  40  -4.758  -0.498  -0.566
  280   2HB   ALA  40           HB1      ALA  40  -4.865   1.186  -1.078
  281   3HB   ALA  40           HB3      ALA  40  -6.324   0.313  -0.611
  282    H    VAL  41           HN       VAL  41  -3.473   0.393  -3.856
  283    HA   VAL  41           HA       VAL  41  -4.398   3.068  -4.680
  284    HB   VAL  41           HB       VAL  41  -1.814   1.522  -5.038
  285   1HG1  VAL  41          HG13      VAL  41  -2.767   3.477  -6.783
  286   2HG1  VAL  41          HG12      VAL  41  -1.705   4.361  -5.690
  287   3HG1  VAL  41          HG11      VAL  41  -1.087   2.979  -6.595
  288   1HG2  VAL  41          HG22      VAL  41  -2.753   2.891  -2.876
  289   2HG2  VAL  41          HG21      VAL  41  -1.040   2.718  -3.257
  290   3HG2  VAL  41          HG23      VAL  41  -1.906   4.178  -3.735
  291    H    VAL  42           HN       VAL  42  -3.739  -0.109  -6.083
  292    HA   VAL  42           HA       VAL  42  -4.205   0.804  -8.825
  293    HB   VAL  42           HB       VAL  42  -3.740  -1.417  -9.480
  294   1HG1  VAL  42          HG13      VAL  42  -2.125  -0.202  -7.490
  295   2HG1  VAL  42          HG12      VAL  42  -2.161  -1.929  -7.136
  296   3HG1  VAL  42          HG11      VAL  42  -1.627  -1.364  -8.720
  297   1HG2  VAL  42          HG23      VAL  42  -5.472  -2.490  -8.073
  298   2HG2  VAL  42          HG22      VAL  42  -3.937  -3.340  -7.967
  299   3HG2  VAL  42          HG21      VAL  42  -4.441  -2.281  -6.661
  300    H    GLU  43           HN       GLU  43  -6.191  -0.035  -6.209
  301    HA   GLU  43           HA       GLU  43  -8.398  -1.038  -7.868
  302   1HB   GLU  43           HB2      GLU  43  -9.520  -0.981  -5.535
  303   2HB   GLU  43           HB1      GLU  43  -8.276  -2.160  -5.782
  304   1HG   GLU  43           HG2      GLU  43  -6.976  -1.199  -4.244
  305   2HG   GLU  43           HG1      GLU  43  -7.285   0.423  -4.864
  306    H    SER  44           HN       SER  44  -7.166   1.881  -6.556
  307    HA   SER  44           HA       SER  44  -9.792   3.243  -7.017
  308   1HB   SER  44           HB2      SER  44  -8.664   3.483  -4.758
  309   2HB   SER  44           HB1      SER  44  -7.371   4.355  -5.574
  310    HG   SER  44           HG       SER  44  -8.684   5.975  -5.151
  311    H    ASN  45           HN       ASN  45  -7.411   2.460  -8.921
  312    HA   ASN  45           HA       ASN  45  -6.626   3.414 -10.929
  313   1HB   ASN  45           HB2      ASN  45  -8.880   5.054 -10.211
  314   2HB   ASN  45           HB1      ASN  45  -7.572   6.090 -10.766
  315   1HD2  ASN  45          HD22      ASN  45  -8.505   3.156 -13.469
  316   2HD2  ASN  45          HD21      ASN  45  -8.190   2.743 -11.853
  317    H    GLY  46           HN       GLY  46  -5.822   4.213  -7.895
  318   1HA   GLY  46           HA2      GLY  46  -3.708   5.021  -7.179
  319   2HA   GLY  46           HA1      GLY  46  -3.450   5.739  -8.764
  320    H    THR  47           HN       THR  47  -6.555   6.384  -7.601
  321    HA   THR  47           HA       THR  47  -5.899   9.199  -7.152
  322    HB   THR  47           HB       THR  47  -8.391   7.535  -7.330
  323    HG1  THR  47           HG1      THR  47  -7.156   9.635  -8.621
  324   1HG2  THR  47          HG22      THR  47  -8.109  10.119  -5.829
  325   2HG2  THR  47          HG21      THR  47  -9.601   9.763  -6.700
  326   3HG2  THR  47          HG23      THR  47  -9.054   8.688  -5.414
  327    H    LEU  48           HN       LEU  48  -6.087   6.334  -5.301
  328    HA   LEU  48           HA       LEU  48  -6.777   7.569  -2.775
  329   1HB   LEU  48           HB2      LEU  48  -7.335   5.286  -2.923
  330   2HB   LEU  48           HB1      LEU  48  -5.829   4.877  -3.741
  331    HG   LEU  48           HG       LEU  48  -5.349   6.043  -1.135
  332   1HD1  LEU  48          HD11      LEU  48  -7.629   4.864  -0.917
  333   2HD1  LEU  48          HD13      LEU  48  -6.704   3.373  -1.090
  334   3HD1  LEU  48          HD12      LEU  48  -6.371   4.465   0.255
  335   1HD2  LEU  48          HD21      LEU  48  -4.366   3.954  -2.889
  336   2HD2  LEU  48          HD23      LEU  48  -3.520   4.803  -1.595
  337   3HD2  LEU  48          HD22      LEU  48  -4.485   3.373  -1.228
  338    H    THR  49           HN       THR  49  -5.253   8.055  -1.122
  339    HA   THR  49           HA       THR  49  -2.404   8.036  -2.019
  340    HB   THR  49           HB       THR  49  -2.069  10.177  -1.183
  341    HG1  THR  49           HG1      THR  49  -4.472  10.020   0.296
  342   1HG2  THR  49          HG21      THR  49  -4.104   9.886  -2.938
  343   2HG2  THR  49          HG23      THR  49  -4.964  10.686  -1.624
  344   3HG2  THR  49          HG22      THR  49  -3.561  11.461  -2.360
  345    H    LEU  50           HN       LEU  50  -0.883   7.461  -0.449
  346    HA   LEU  50           HA       LEU  50  -1.694   5.636   1.564
  347   1HB   LEU  50           HB2      LEU  50   0.484   5.397   0.717
  348   2HB   LEU  50           HB1      LEU  50   0.833   7.117   0.835
  349    HG   LEU  50           HG       LEU  50   0.763   6.827   3.375
  350   1HD1  LEU  50          HD13      LEU  50  -0.454   4.551   3.062
  351   2HD1  LEU  50          HD12      LEU  50   1.154   3.914   2.715
  352   3HD1  LEU  50          HD11      LEU  50   0.816   4.646   4.283
  353   1HD2  LEU  50          HD23      LEU  50   2.755   5.798   1.433
  354   2HD2  LEU  50          HD22      LEU  50   2.928   7.042   2.672
  355   3HD2  LEU  50          HD21      LEU  50   3.003   5.337   3.117
  356    H    SER  51           HN       SER  51  -1.033   6.129   4.000
  357    HA   SER  51           HA       SER  51  -1.971   8.832   4.716
  358   1HB   SER  51           HB2      SER  51  -2.995   7.823   6.531
  359   2HB   SER  51           HB1      SER  51  -3.387   6.693   5.330
  360    HG   SER  51           HG       SER  51  -1.741   5.440   6.093
  361    H    HIS  52           HN       HIS  52  -0.065   6.090   5.785
  362    HA   HIS  52           HA       HIS  52   2.329   7.564   6.381
  363   1HB   HIS  52           HB2      HIS  52   2.298   7.371   8.821
  364   2HB   HIS  52           HB1      HIS  52   0.862   8.271   8.322
  365    HD1  HIS  52           HD1      HIS  52   0.848   6.607  10.991
  366    HD2  HIS  52           HD2      HIS  52  -0.511   5.212   7.311
  367    HE1  HIS  52           HE1      HIS  52  -0.755   4.690  11.472
  368    H    PHE  53           HN       PHE  53   4.003   6.022   7.073
  369    HA   PHE  53           HA       PHE  53   3.474   3.329   6.133
  370   1HB   PHE  53           HB2      PHE  53   5.864   4.607   7.464
  371   2HB   PHE  53           HB1      PHE  53   5.802   2.893   7.047
  372    HD1  PHE  53           HD2      PHE  53   5.058   6.226   5.493
  373    HD2  PHE  53           HD1      PHE  53   6.591   2.252   4.950
  374    HE1  PHE  53           HE2      PHE  53   5.639   6.773   3.147
  375    HE2  PHE  53           HE1      PHE  53   7.174   2.797   2.602
  376    HZ   PHE  53           HZ       PHE  53   6.697   5.058   1.700
  377    H    GLY  54           HN       GLY  54   2.159   2.128   7.383
  378   1HA   GLY  54           HA2      GLY  54   2.696   0.661   9.530
  379   2HA   GLY  54           HA1      GLY  54   2.369   2.174  10.302
  380    H    LYS  55           HN       LYS  55   0.668   0.548  11.152
  381    HA   LYS  55           HA       LYS  55  -1.701   0.319   9.422
  382   1HB   LYS  55           HB2      LYS  55  -2.561  -0.314  11.984
  383   2HB   LYS  55           HB1      LYS  55  -2.009  -1.477  10.783
  384   1HG   LYS  55           HG2      LYS  55   0.220  -1.461  11.685
  385   2HG   LYS  55           HG1      LYS  55  -0.140  -0.069  12.708
  386   1HD   LYS  55           HD2      LYS  55  -2.073  -1.768  13.550
  387   2HD   LYS  55           HD1      LYS  55  -0.822  -2.930  13.104
  388   1HE   LYS  55           HE2      LYS  55   0.733  -2.027  14.630
  389   2HE   LYS  55           HE1      LYS  55  -0.159  -0.512  14.779
  390   1HZ   LYS  55           HZ2      LYS  55  -1.763  -2.746  15.509
  391   2HZ   LYS  55           HZ1      LYS  55  -0.340  -2.688  16.436
  392   3HZ   LYS  55           HZ3      LYS  55  -1.386  -1.353  16.405
  393    H    CYS  56           HN       CYS  56  -3.565   1.590   9.617
  394    HA   CYS  56           HA       CYS  56  -3.441   4.257  10.284
  395   1HB   CYS  56           HB2      CYS  56  -5.906   2.621  10.923
  396   2HB   CYS  56           HB1      CYS  56  -5.832   4.305  10.411
   
  No H/Q in entry =         396
  Start of MODEL          25
 Raw file had  401 H/Q atoms
  Start of MODEL   25
    1   1H    LEU   1           HT2      LEU   1  12.792  16.888   0.588
    2   2H    LEU   1           HT1      LEU   1  13.132  17.665  -0.884
    3   3H    LEU   1           HT3      LEU   1  11.888  18.244   0.111
    4    HA   LEU   1           HA       LEU   1  10.439  16.977  -0.950
    5   1HB   LEU   1           HB2      LEU   1  12.420  17.093  -2.715
    6   2HB   LEU   1           HB1      LEU   1  12.553  15.374  -2.340
    7    HG   LEU   1           HG       LEU   1   9.816  15.759  -2.631
    8   1HD1  LEU   1          HD12      LEU   1  10.289  18.017  -3.569
    9   2HD1  LEU   1          HD11      LEU   1  11.285  17.267  -4.816
   10   3HD1  LEU   1          HD13      LEU   1   9.552  16.943  -4.758
   11   1HD2  LEU   1          HD22      LEU   1  11.358  13.903  -3.449
   12   2HD2  LEU   1          HD21      LEU   1  10.071  14.358  -4.565
   13   3HD2  LEU   1          HD23      LEU   1  11.719  14.928  -4.838
   14    H    ALA   2           HN       ALA   2   9.659  15.774   0.800
   15    HA   ALA   2           HA       ALA   2  10.929  13.091   1.187
   16   1HB   ALA   2           HB3      ALA   2   9.933  15.113   3.124
   17   2HB   ALA   2           HB2      ALA   2   9.540  13.433   3.487
   18   3HB   ALA   2           HB1      ALA   2  11.223  13.925   3.303
   19    H    ALA   3           HN       ALA   3   8.998  13.513  -0.811
   20    HA   ALA   3           HA       ALA   3   6.305  13.202  -0.218
   21   1HB   ALA   3           HB2      ALA   3   7.979  11.844  -2.339
   22   2HB   ALA   3           HB1      ALA   3   6.224  11.693  -2.274
   23   3HB   ALA   3           HB3      ALA   3   6.964  13.275  -2.518
   24    H    VAL   4           HN       VAL   4   5.022  11.574   0.617
   25    HA   VAL   4           HA       VAL   4   6.448   9.076   1.443
   26    HB   VAL   4           HB       VAL   4   4.407   9.062   3.149
   27   1HG1  VAL   4          HG11      VAL   4   6.850   9.160   3.680
   28   2HG1  VAL   4          HG13      VAL   4   6.789  10.912   3.489
   29   3HG1  VAL   4          HG12      VAL   4   5.874  10.133   4.780
   30   1HG2  VAL   4          HG21      VAL   4   4.792  11.992   2.452
   31   2HG2  VAL   4          HG23      VAL   4   3.312  11.054   2.251
   32   3HG2  VAL   4          HG22      VAL   4   3.919  11.408   3.869
   33    H    SER   5           HN       SER   5   5.847   7.490   0.064
   34    HA   SER   5           HA       SER   5   3.129   6.594  -0.103
   35   1HB   SER   5           HB2      SER   5   3.474   7.062  -2.831
   36   2HB   SER   5           HB1      SER   5   2.368   7.925  -1.765
   37    HG   SER   5           HG       SER   5   3.770   9.361  -2.829
   38    H    VAL   6           HN       VAL   6   2.994   4.608  -1.398
   39    HA   VAL   6           HA       VAL   6   5.633   3.293  -1.576
   40    HB   VAL   6           HB       VAL   6   2.853   2.153  -1.974
   41   1HG1  VAL   6          HG11      VAL   6   5.628   1.002  -1.885
   42   2HG1  VAL   6          HG13      VAL   6   4.271   0.035  -1.306
   43   3HG1  VAL   6          HG12      VAL   6   4.296   0.610  -2.973
   44   1HG2  VAL   6          HG23      VAL   6   4.222   3.011   0.392
   45   2HG2  VAL   6          HG22      VAL   6   2.658   2.206   0.267
   46   3HG2  VAL   6          HG21      VAL   6   4.132   1.250   0.412
   47    H    ASP   7           HN       ASP   7   6.106   1.934  -3.521
   48    HA   ASP   7           HA       ASP   7   5.542   3.468  -5.966
   49   1HB   ASP   7           HB2      ASP   7   7.809   2.417  -5.329
   50   2HB   ASP   7           HB1      ASP   7   7.087   0.875  -5.793
   51    H    CYS   8           HN       CYS   8   4.320   2.687  -7.720
   52    HA   CYS   8           HA       CYS   8   3.006   0.034  -7.364
   53   1HB   CYS   8           HB2      CYS   8   1.683   2.703  -7.764
   54   2HB   CYS   8           HB1      CYS   8   0.890   1.212  -8.263
   55    H    SER   9           HN       SER   9   5.171   0.696  -9.135
   56    HA   SER   9           HA       SER   9   3.938   1.123 -11.779
   57   1HB   SER   9           HB2      SER   9   5.951   2.254 -11.759
   58   2HB   SER   9           HB1      SER   9   6.718   1.077 -10.697
   59    HG   SER   9           HG       SER   9   7.571   0.514 -12.571
   60    H    GLU  10           HN       GLU  10   4.121  -1.480  -9.881
   61    HA   GLU  10           HA       GLU  10   4.330  -3.302 -12.238
   62   1HB   GLU  10           HB2      GLU  10   5.643  -4.898 -10.975
   63   2HB   GLU  10           HB1      GLU  10   6.453  -3.335 -10.906
   64   1HG   GLU  10           HG2      GLU  10   4.493  -3.749  -8.752
   65   2HG   GLU  10           HG1      GLU  10   5.853  -4.871  -8.710
   66    H    TYR  11           HN       TYR  11   2.426  -2.203  -9.796
   67    HA   TYR  11           HA       TYR  11   1.230  -4.738  -8.989
   68   1HB   TYR  11           HB2      TYR  11   0.796  -1.823  -8.386
   69   2HB   TYR  11           HB1      TYR  11  -0.433  -2.991  -7.921
   70    HD1  TYR  11           HD1      TYR  11   0.109  -4.821  -6.301
   71    HD2  TYR  11           HD2      TYR  11   2.956  -1.783  -7.341
   72    HE1  TYR  11           HE1      TYR  11   1.523  -5.472  -4.360
   73    HE2  TYR  11           HE2      TYR  11   4.365  -2.429  -5.410
   74    HH   TYR  11           HH       TYR  11   4.329  -5.127  -3.938
   75    HA   PRO  12           HA       PRO  12  -0.895  -4.691  -8.044
   76   1HB   PRO  12           HB2      PRO  12  -2.981  -6.458  -8.348
   77   2HB   PRO  12           HB1      PRO  12  -3.199  -4.718  -8.122
   78   1HG   PRO  12           HG2      PRO  12  -3.609  -6.330 -10.565
   79   2HG   PRO  12           HG1      PRO  12  -4.209  -4.707 -10.186
   80   1HD   PRO  12           HD2      PRO  12  -1.954  -5.414 -11.823
   81   2HD   PRO  12           HD1      PRO  12  -2.544  -3.797 -11.499
   82    H    LYS  13           HN       LYS  13  -1.113  -7.084  -7.092
   83    HA   LYS  13           HA       LYS  13   0.441  -8.957  -8.825
   84   1HB   LYS  13           HB2      LYS  13   1.063  -7.913  -6.084
   85   2HB   LYS  13           HB1      LYS  13   1.559  -9.546  -6.515
   86   1HG   LYS  13           HG2      LYS  13   2.497  -8.402  -8.683
   87   2HG   LYS  13           HG1      LYS  13   2.429  -6.932  -7.710
   88   1HD   LYS  13           HD2      LYS  13   4.257  -7.531  -6.538
   89   2HD   LYS  13           HD1      LYS  13   3.591  -9.131  -6.206
   90   1HE   LYS  13           HE2      LYS  13   4.932 -10.061  -7.755
   91   2HE   LYS  13           HE1      LYS  13   4.330  -8.952  -8.987
   92   1HZ   LYS  13           HZ1      LYS  13   5.918  -7.348  -7.550
   93   2HZ   LYS  13           HZ3      LYS  13   6.748  -8.821  -7.405
   94   3HZ   LYS  13           HZ2      LYS  13   6.417  -8.182  -8.944
   95    HA   PRO  14           HA       PRO  14  -2.672 -11.738  -7.327
   96   1HB   PRO  14           HB2      PRO  14  -1.602 -14.027  -8.410
   97   2HB   PRO  14           HB1      PRO  14  -2.484 -12.814  -9.355
   98   1HG   PRO  14           HG2      PRO  14   0.442 -13.359  -9.268
   99   2HG   PRO  14           HG1      PRO  14  -0.525 -12.628 -10.559
  100   1HD   PRO  14           HD2      PRO  14   1.137 -11.252  -8.750
  101   2HD   PRO  14           HD1      PRO  14  -0.047 -10.518  -9.801
  102    H    ALA  15           HN       ALA  15   0.134 -11.272  -5.915
  103    HA   ALA  15           HA       ALA  15  -0.343 -13.215  -3.792
  104   1HB   ALA  15           HB1      ALA  15   1.419 -13.960  -5.870
  105   2HB   ALA  15           HB3      ALA  15   2.446 -13.498  -4.511
  106   3HB   ALA  15           HB2      ALA  15   1.223 -14.752  -4.306
  107    H    CYS  16           HN       CYS  16  -0.100 -11.916  -2.032
  108    HA   CYS  16           HA       CYS  16   1.538  -9.502  -2.170
  109   1HB   CYS  16           HB2      CYS  16  -0.598 -10.467  -0.529
  110   2HB   CYS  16           HB1      CYS  16   0.767 -10.077   0.519
  111    H    THR  17           HN       THR  17   3.464  -9.117  -1.022
  112    HA   THR  17           HA       THR  17   5.261 -11.302  -0.704
  113    HB   THR  17           HB       THR  17   6.808  -9.711   0.138
  114    HG1  THR  17           HG1      THR  17   4.756  -7.883   0.713
  115   1HG2  THR  17          HG21      THR  17   5.184  -9.098  -2.070
  116   2HG2  THR  17          HG23      THR  17   5.350  -7.584  -1.181
  117   3HG2  THR  17          HG22      THR  17   6.787  -8.450  -1.725
  118    H    LEU  18           HN       LEU  18   6.327 -10.469   1.967
  119    HA   LEU  18           HA       LEU  18   4.169 -11.553   3.712
  120   1HB   LEU  18           HB2      LEU  18   7.014 -12.434   4.120
  121   2HB   LEU  18           HB1      LEU  18   5.519 -13.233   4.610
  122    HG   LEU  18           HG       LEU  18   5.056 -13.435   2.059
  123   1HD1  LEU  18          HD12      LEU  18   7.726 -12.261   2.134
  124   2HD1  LEU  18          HD11      LEU  18   7.706 -13.785   1.244
  125   3HD1  LEU  18          HD13      LEU  18   6.635 -12.468   0.764
  126   1HD2  LEU  18          HD22      LEU  18   6.937 -14.996   3.778
  127   2HD2  LEU  18          HD21      LEU  18   5.398 -15.485   3.071
  128   3HD2  LEU  18          HD23      LEU  18   6.849 -15.423   2.069
  129    H    GLU  19           HN       GLU  19   7.283  -9.824   3.523
  130    HA   GLU  19           HA       GLU  19   7.669  -9.095   6.172
  131   1HB   GLU  19           HB2      GLU  19   8.740  -7.071   5.396
  132   2HB   GLU  19           HB1      GLU  19   9.069  -8.335   4.212
  133   1HG   GLU  19           HG2      GLU  19   6.596  -7.038   3.527
  134   2HG   GLU  19           HG1      GLU  19   7.844  -5.817   3.762
  135    H    TYR  20           HN       TYR  20   6.692  -7.627   7.617
  136    HA   TYR  20           HA       TYR  20   3.956  -6.847   6.837
  137   1HB   TYR  20           HB2      TYR  20   4.495  -8.018   9.028
  138   2HB   TYR  20           HB1      TYR  20   5.225  -6.500   9.555
  139    HD1  TYR  20           HD2      TYR  20   2.198  -7.054   7.418
  140    HD2  TYR  20           HD1      TYR  20   3.738  -5.647  11.176
  141    HE1  TYR  20           HE2      TYR  20  -0.038  -6.159   7.994
  142    HE2  TYR  20           HE1      TYR  20   1.499  -4.756  11.755
  143    HH   TYR  20           HH       TYR  20  -1.244  -5.647  10.396
  144    H    ARG  21           HN       ARG  21   3.889  -4.976   5.751
  145    HA   ARG  21           HA       ARG  21   5.123  -2.579   7.038
  146   1HB   ARG  21           HB2      ARG  21   4.794  -2.900   4.044
  147   2HB   ARG  21           HB1      ARG  21   5.735  -1.684   4.908
  148   1HG   ARG  21           HG2      ARG  21   6.671  -4.240   5.748
  149   2HG   ARG  21           HG1      ARG  21   6.589  -4.259   3.986
  150   1HD   ARG  21           HD2      ARG  21   8.157  -2.412   5.777
  151   2HD   ARG  21           HD1      ARG  21   8.727  -3.367   4.409
  152    HE   ARG  21           HE       ARG  21   6.828  -1.533   3.398
  153   1HH1  ARG  21          HH21      ARG  21   7.870   0.490   5.166
  154   2HH1  ARG  21          HH22      ARG  21   9.296   1.063   4.369
  155   1HH2  ARG  21          HH11      ARG  21   9.544  -1.685   2.267
  156   2HH2  ARG  21          HH12      ARG  21  10.244  -0.168   2.725
  157    HA   PRO  22           HA       PRO  22   0.526  -2.440   6.617
  158   1HB   PRO  22           HB2      PRO  22   0.194  -1.191   9.072
  159   2HB   PRO  22           HB1      PRO  22   0.179  -2.957   8.820
  160   1HG   PRO  22           HG2      PRO  22   2.357  -1.214   9.911
  161   2HG   PRO  22           HG1      PRO  22   1.969  -2.900  10.300
  162   1HD   PRO  22           HD2      PRO  22   4.066  -2.137   8.645
  163   2HD   PRO  22           HD1      PRO  22   3.277  -3.729   8.583
  164    H    LEU  23           HN       LEU  23   0.111  -0.798   5.126
  165    HA   LEU  23           HA       LEU  23   1.012   1.934   5.928
  166   1HB   LEU  23           HB2      LEU  23  -0.206   1.263   3.268
  167   2HB   LEU  23           HB1      LEU  23   0.968   2.518   3.669
  168    HG   LEU  23           HG       LEU  23   1.744  -0.350   4.070
  169   1HD1  LEU  23          HD11      LEU  23   1.092   0.949   1.518
  170   2HD1  LEU  23          HD13      LEU  23   2.681   0.188   1.576
  171   3HD1  LEU  23          HD12      LEU  23   1.235  -0.763   1.913
  172   1HD2  LEU  23          HD21      LEU  23   3.120   2.245   3.357
  173   2HD2  LEU  23          HD23      LEU  23   3.331   1.273   4.814
  174   3HD2  LEU  23          HD22      LEU  23   3.935   0.683   3.265
  175    H    CYS  24           HN       CYS  24  -0.528   3.173   6.899
  176    HA   CYS  24           HA       CYS  24  -3.349   2.369   6.811
  177   1HB   CYS  24           HB2      CYS  24  -2.318   3.557   8.801
  178   2HB   CYS  24           HB1      CYS  24  -2.141   4.965   7.784
  179    H    GLY  25           HN       GLY  25  -4.569   2.873   4.982
  180   1HA   GLY  25           HA2      GLY  25  -3.542   4.571   2.988
  181   2HA   GLY  25           HA1      GLY  25  -5.225   4.162   3.091
  182    H    SER  26           HN       SER  26  -5.550   6.498   2.456
  183    HA   SER  26           HA       SER  26  -5.024   8.406   4.673
  184   1HB   SER  26           HB2      SER  26  -4.645   9.141   2.322
  185   2HB   SER  26           HB1      SER  26  -6.348   8.863   1.978
  186    HG   SER  26           HG       SER  26  -6.825  10.659   2.966
  187    H    ASP  27           HN       ASP  27  -7.501   6.367   3.445
  188    HA   ASP  27           HA       ASP  27  -9.693   7.895   4.688
  189   1HB   ASP  27           HB2      ASP  27 -11.028   5.824   3.951
  190   2HB   ASP  27           HB1      ASP  27 -10.326   6.814   2.671
  191    H    ASN  28           HN       ASN  28  -7.314   6.029   5.907
  192    HA   ASN  28           HA       ASN  28  -7.098   5.222   8.117
  193   1HB   ASN  28           HB2      ASN  28  -9.192   6.609   8.625
  194   2HB   ASN  28           HB1      ASN  28 -10.112   5.137   8.313
  195   1HD2  ASN  28          HD22      ASN  28  -7.462   4.903  11.451
  196   2HD2  ASN  28          HD21      ASN  28  -6.974   5.668  10.016
  197    H    LYS  29           HN       LYS  29  -7.399   3.645   5.629
  198    HA   LYS  29           HA       LYS  29  -8.518   1.139   6.818
  199   1HB   LYS  29           HB2      LYS  29  -8.985   2.271   4.309
  200   2HB   LYS  29           HB1      LYS  29  -7.825   0.982   3.989
  201   1HG   LYS  29           HG2      LYS  29 -10.560   0.772   5.250
  202   2HG   LYS  29           HG1      LYS  29  -9.929  -0.092   3.851
  203   1HD   LYS  29           HD2      LYS  29  -8.197  -1.087   5.515
  204   2HD   LYS  29           HD1      LYS  29  -9.315  -0.541   6.765
  205   1HE   LYS  29           HE2      LYS  29 -11.146  -1.778   5.525
  206   2HE   LYS  29           HE1      LYS  29  -9.884  -2.484   4.517
  207   1HZ   LYS  29           HZ2      LYS  29  -8.876  -2.965   6.908
  208   2HZ   LYS  29           HZ1      LYS  29 -10.526  -2.981   7.313
  209   3HZ   LYS  29           HZ3      LYS  29  -9.935  -4.043   6.130
  210    H    THR  30           HN       THR  30  -6.814   0.205   7.863
  211    HA   THR  30           HA       THR  30  -4.071   0.480   7.060
  212    HB   THR  30           HB       THR  30  -5.409  -1.578   8.839
  213    HG1  THR  30           HG1      THR  30  -5.013  -0.185  10.409
  214   1HG2  THR  30          HG21      THR  30  -2.477  -0.895   8.472
  215   2HG2  THR  30          HG23      THR  30  -3.124  -1.986   9.698
  216   3HG2  THR  30          HG22      THR  30  -3.257  -2.402   7.989
  217    H    TYR  31           HN       TYR  31  -2.869  -0.698   5.655
  218    HA   TYR  31           HA       TYR  31  -4.155  -3.068   4.363
  219   1HB   TYR  31           HB2      TYR  31  -2.242  -0.964   3.390
  220   2HB   TYR  31           HB1      TYR  31  -2.200  -2.566   2.651
  221    HD1  TYR  31           HD1      TYR  31  -4.403   0.337   3.408
  222    HD2  TYR  31           HD2      TYR  31  -3.922  -3.291   1.162
  223    HE1  TYR  31           HE1      TYR  31  -6.410   0.901   2.064
  224    HE2  TYR  31           HE2      TYR  31  -5.923  -2.727  -0.182
  225    HH   TYR  31           HH       TYR  31  -8.146  -1.089   0.435
  226    H    GLY  32           HN       GLY  32  -3.277  -5.003   4.906
  227   1HA   GLY  32           HA2      GLY  32  -1.558  -5.642   6.849
  228   2HA   GLY  32           HA1      GLY  32  -1.555  -6.586   5.369
  229    H    ASN  33           HN       ASN  33  -0.281  -5.207   3.525
  230    HA   ASN  33           HA       ASN  33   2.096  -3.958   4.739
  231   1HB   ASN  33           HB2      ASN  33   3.648  -5.415   3.452
  232   2HB   ASN  33           HB1      ASN  33   2.740  -6.286   4.659
  233   1HD2  ASN  33          HD22      ASN  33   2.436  -8.401   1.698
  234   2HD2  ASN  33          HD21      ASN  33   3.585  -8.012   2.881
  235    H    LYS  34           HN       LYS  34   3.688  -3.897   2.483
  236    HA   LYS  34           HA       LYS  34   2.642  -1.661   1.126
  237   1HB   LYS  34           HB2      LYS  34   4.535  -2.381  -0.551
  238   2HB   LYS  34           HB1      LYS  34   4.951  -1.760   1.030
  239   1HG   LYS  34           HG2      LYS  34   5.713  -3.786   1.763
  240   2HG   LYS  34           HG1      LYS  34   4.492  -4.692   0.872
  241   1HD   LYS  34           HD2      LYS  34   7.029  -3.461  -0.241
  242   2HD   LYS  34           HD1      LYS  34   6.643  -5.177  -0.121
  243   1HE   LYS  34           HE2      LYS  34   5.892  -4.978  -2.249
  244   2HE   LYS  34           HE1      LYS  34   4.491  -4.177  -1.536
  245   1HZ   LYS  34           HZ2      LYS  34   6.225  -2.162  -1.633
  246   2HZ   LYS  34           HZ1      LYS  34   6.732  -3.047  -2.992
  247   3HZ   LYS  34           HZ3      LYS  34   5.127  -2.511  -2.882
  248    H    CYS  35           HN       CYS  35   3.173  -4.940  -0.332
  249    HA   CYS  35           HA       CYS  35   1.946  -4.419  -2.744
  250   1HB   CYS  35           HB2      CYS  35   1.383  -6.856  -2.766
  251   2HB   CYS  35           HB1      CYS  35   3.055  -6.522  -2.341
  252    H    ASN  36           HN       ASN  36   0.307  -5.433   0.281
  253    HA   ASN  36           HA       ASN  36  -2.305  -5.599  -0.817
  254   1HB   ASN  36           HB2      ASN  36  -1.164  -5.215   1.892
  255   2HB   ASN  36           HB1      ASN  36  -2.845  -4.731   1.682
  256   1HD2  ASN  36          HD22      ASN  36  -1.869  -8.660   1.738
  257   2HD2  ASN  36          HD21      ASN  36  -0.705  -7.442   1.933
  258    H    PHE  37           HN       PHE  37  -0.645  -2.825   0.691
  259    HA   PHE  37           HA       PHE  37  -2.752  -0.940   0.471
  260   1HB   PHE  37           HB2      PHE  37  -0.597  -0.605   1.676
  261   2HB   PHE  37           HB1      PHE  37   0.199  -0.357   0.255
  262    HD1  PHE  37           HD1      PHE  37  -2.968   0.947   1.748
  263    HD2  PHE  37           HD2      PHE  37   0.615   1.659  -0.460
  264    HE1  PHE  37           HE1      PHE  37  -3.600   3.342   1.518
  265    HE2  PHE  37           HE2      PHE  37  -0.006   4.054  -0.726
  266    HZ   PHE  37           HZ       PHE  37  -2.131   4.891   0.256
  267    H    CYS  38           HN       CYS  38  -0.172  -1.728  -1.738
  268    HA   CYS  38           HA       CYS  38  -0.985   0.251  -3.694
  269   1HB   CYS  38           HB2      CYS  38   1.350  -0.527  -3.670
  270   2HB   CYS  38           HB1      CYS  38   0.831  -2.148  -4.129
  271    H    ASN  39           HN       ASN  39  -1.983  -2.996  -2.990
  272    HA   ASN  39           HA       ASN  39  -3.071  -3.610  -5.593
  273   1HB   ASN  39           HB2      ASN  39  -3.575  -4.598  -2.790
  274   2HB   ASN  39           HB1      ASN  39  -4.696  -5.039  -4.078
  275   1HD2  ASN  39          HD22      ASN  39  -1.740  -7.460  -3.811
  276   2HD2  ASN  39          HD21      ASN  39  -2.713  -6.778  -2.600
  277    H    ALA  40           HN       ALA  40  -3.943  -1.546  -2.981
  278    HA   ALA  40           HA       ALA  40  -6.721  -1.170  -3.869
  279   1HB   ALA  40           HB3      ALA  40  -5.940  -1.020  -1.447
  280   2HB   ALA  40           HB2      ALA  40  -5.131   0.483  -1.883
  281   3HB   ALA  40           HB1      ALA  40  -6.886   0.357  -2.010
  282    H    VAL  41           HN       VAL  41  -3.582   0.444  -4.013
  283    HA   VAL  41           HA       VAL  41  -4.520   2.891  -5.238
  284    HB   VAL  41           HB       VAL  41  -1.786   1.573  -5.360
  285   1HG1  VAL  41          HG13      VAL  41  -2.297   3.384  -7.057
  286   2HG1  VAL  41          HG12      VAL  41  -2.511   4.489  -5.700
  287   3HG1  VAL  41          HG11      VAL  41  -0.945   3.731  -5.981
  288   1HG2  VAL  41          HG23      VAL  41  -3.157   3.329  -3.345
  289   2HG2  VAL  41          HG22      VAL  41  -2.114   1.931  -3.079
  290   3HG2  VAL  41          HG21      VAL  41  -1.414   3.473  -3.571
  291    H    VAL  42           HN       VAL  42  -3.826  -0.291  -6.388
  292    HA   VAL  42           HA       VAL  42  -3.680   0.555  -9.213
  293    HB   VAL  42           HB       VAL  42  -3.362  -1.887  -9.648
  294   1HG1  VAL  42          HG12      VAL  42  -1.596  -0.093  -8.567
  295   2HG1  VAL  42          HG11      VAL  42  -1.463  -1.453  -7.451
  296   3HG1  VAL  42          HG13      VAL  42  -1.161  -1.691  -9.173
  297   1HG2  VAL  42          HG23      VAL  42  -4.049  -1.993  -6.756
  298   2HG2  VAL  42          HG22      VAL  42  -4.422  -3.140  -8.037
  299   3HG2  VAL  42          HG21      VAL  42  -2.807  -3.095  -7.332
  300    H    GLU  43           HN       GLU  43  -5.898  -0.935  -6.957
  301    HA   GLU  43           HA       GLU  43  -7.837  -1.624  -9.023
  302   1HB   GLU  43           HB2      GLU  43  -9.232  -2.114  -6.989
  303   2HB   GLU  43           HB1      GLU  43  -7.803  -3.080  -7.085
  304   1HG   GLU  43           HG2      GLU  43  -7.493  -2.392  -4.970
  305   2HG   GLU  43           HG1      GLU  43  -7.000  -0.858  -5.680
  306    H    SER  44           HN       SER  44  -6.925   1.162  -7.333
  307    HA   SER  44           HA       SER  44  -9.641   2.372  -7.688
  308   1HB   SER  44           HB2      SER  44  -9.009   3.984  -5.990
  309   2HB   SER  44           HB1      SER  44  -8.665   2.373  -5.368
  310    HG   SER  44           HG       SER  44  -6.933   3.908  -5.094
  311    H    ASN  45           HN       ASN  45  -7.173   2.032  -9.580
  312    HA   ASN  45           HA       ASN  45  -6.354   3.307 -11.374
  313   1HB   ASN  45           HB2      ASN  45  -8.706   4.773 -10.489
  314   2HB   ASN  45           HB1      ASN  45  -7.430   5.871 -10.999
  315   1HD2  ASN  45          HD22      ASN  45  -7.740   5.071 -14.418
  316   2HD2  ASN  45          HD21      ASN  45  -6.950   6.002 -13.240
  317    H    GLY  46           HN       GLY  46  -5.744   3.715  -8.209
  318   1HA   GLY  46           HA2      GLY  46  -3.750   4.543  -7.242
  319   2HA   GLY  46           HA1      GLY  46  -3.399   5.410  -8.734
  320    H    THR  47           HN       THR  47  -6.594   5.801  -7.602
  321    HA   THR  47           HA       THR  47  -6.091   8.626  -7.013
  322    HB   THR  47           HB       THR  47  -8.476   8.836  -6.873
  323    HG1  THR  47           HG1      THR  47  -8.955   7.128  -5.542
  324   1HG2  THR  47          HG22      THR  47  -7.365   7.056  -8.978
  325   2HG2  THR  47          HG21      THR  47  -9.123   7.151  -8.874
  326   3HG2  THR  47          HG23      THR  47  -8.174   8.616  -9.133
  327    H    LEU  48           HN       LEU  48  -6.032   5.726  -5.251
  328    HA   LEU  48           HA       LEU  48  -6.976   6.792  -2.729
  329   1HB   LEU  48           HB2      LEU  48  -7.260   4.474  -2.910
  330   2HB   LEU  48           HB1      LEU  48  -5.702   4.244  -3.694
  331    HG   LEU  48           HG       LEU  48  -4.813   5.152  -1.331
  332   1HD1  LEU  48          HD11      LEU  48  -7.602   4.780  -0.924
  333   2HD1  LEU  48          HD13      LEU  48  -6.747   3.533  -0.018
  334   3HD1  LEU  48          HD12      LEU  48  -6.376   5.234   0.260
  335   1HD2  LEU  48          HD23      LEU  48  -5.089   2.650  -2.612
  336   2HD2  LEU  48          HD22      LEU  48  -3.964   3.079  -1.323
  337   3HD2  LEU  48          HD21      LEU  48  -5.544   2.403  -0.926
  338    H    THR  49           HN       THR  49  -5.779   7.953  -1.349
  339    HA   THR  49           HA       THR  49  -2.804   7.916  -1.658
  340    HB   THR  49           HB       THR  49  -2.714  10.190  -1.186
  341    HG1  THR  49           HG1      THR  49  -3.675  10.234   0.772
  342   1HG2  THR  49          HG23      THR  49  -4.087   9.885  -3.236
  343   2HG2  THR  49          HG22      THR  49  -5.543   9.939  -2.243
  344   3HG2  THR  49          HG21      THR  49  -4.507  11.361  -2.367
  345    H    LEU  50           HN       LEU  50  -1.648   7.903   0.455
  346    HA   LEU  50           HA       LEU  50  -3.380   6.577   2.438
  347   1HB   LEU  50           HB2      LEU  50  -1.621   5.238   2.920
  348   2HB   LEU  50           HB1      LEU  50  -1.017   5.801   1.378
  349    HG   LEU  50           HG       LEU  50  -0.232   7.628   3.501
  350   1HD1  LEU  50          HD12      LEU  50  -0.481   5.488   4.790
  351   2HD1  LEU  50          HD11      LEU  50   0.685   4.758   3.688
  352   3HD1  LEU  50          HD13      LEU  50   1.172   6.097   4.727
  353   1HD2  LEU  50          HD21      LEU  50   0.698   7.156   1.105
  354   2HD2  LEU  50          HD23      LEU  50   1.851   7.445   2.408
  355   3HD2  LEU  50          HD22      LEU  50   1.522   5.798   1.872
  356    H    SER  51           HN       SER  51  -1.888   6.979   4.782
  357    HA   SER  51           HA       SER  51  -2.083   9.923   5.153
  358   1HB   SER  51           HB2      SER  51  -3.738   7.869   6.340
  359   2HB   SER  51           HB1      SER  51  -2.785   8.617   7.556
  360    HG   SER  51           HG       SER  51  -3.915  10.315   5.698
  361    H    HIS  52           HN       HIS  52  -0.607   6.852   6.078
  362    HA   HIS  52           HA       HIS  52   1.881   8.088   6.754
  363   1HB   HIS  52           HB2      HIS  52   1.883   7.883   9.174
  364   2HB   HIS  52           HB1      HIS  52   0.510   8.885   8.702
  365    HD1  HIS  52           HD1      HIS  52   1.244   6.191  10.884
  366    HD2  HIS  52           HD2      HIS  52  -1.899   6.949   8.251
  367    HE1  HIS  52           HE1      HIS  52  -0.684   4.717  11.614
  368    H    PHE  53           HN       PHE  53   3.410   6.514   6.659
  369    HA   PHE  53           HA       PHE  53   2.718   3.815   6.063
  370   1HB   PHE  53           HB2      PHE  53   5.308   5.123   6.899
  371   2HB   PHE  53           HB1      PHE  53   5.193   3.391   6.585
  372    HD1  PHE  53           HD2      PHE  53   4.607   6.744   5.067
  373    HD2  PHE  53           HD1      PHE  53   5.154   2.542   4.366
  374    HE1  PHE  53           HE2      PHE  53   4.766   7.172   2.630
  375    HE2  PHE  53           HE1      PHE  53   5.315   2.972   1.928
  376    HZ   PHE  53           HZ       PHE  53   5.120   5.286   1.062
  377    H    GLY  54           HN       GLY  54   1.787   2.479   7.494
  378   1HA   GLY  54           HA2      GLY  54   2.746   1.160   9.585
  379   2HA   GLY  54           HA1      GLY  54   2.361   2.672  10.359
  380    H    LYS  55           HN       LYS  55   0.937   0.886  11.444
  381    HA   LYS  55           HA       LYS  55  -1.577   0.410   9.985
  382   1HB   LYS  55           HB2      LYS  55  -2.065  -0.322  12.619
  383   2HB   LYS  55           HB1      LYS  55  -1.553  -1.410  11.333
  384   1HG   LYS  55           HG2      LYS  55   0.758  -1.181  11.957
  385   2HG   LYS  55           HG1      LYS  55   0.388   0.139  13.067
  386   1HD   LYS  55           HD2      LYS  55  -1.273  -1.997  13.851
  387   2HD   LYS  55           HD1      LYS  55   0.312  -2.710  13.552
  388   1HE   LYS  55           HE2      LYS  55   0.078  -0.158  15.129
  389   2HE   LYS  55           HE1      LYS  55  -0.184  -1.715  15.915
  390   1HZ   LYS  55           HZ2      LYS  55   2.197  -1.273  14.238
  391   2HZ   LYS  55           HZ1      LYS  55   2.177  -0.736  15.850
  392   3HZ   LYS  55           HZ3      LYS  55   1.970  -2.383  15.503
  393    H    CYS  56           HN       CYS  56  -3.343   1.695  10.163
  394    HA   CYS  56           HA       CYS  56  -3.374   4.287  11.071
  395   1HB   CYS  56           HB2      CYS  56  -5.767   2.471  11.445
  396   2HB   CYS  56           HB1      CYS  56  -5.770   4.201  11.104
   
  No H/Q in entry =         396
  Start of MODEL          26
 Raw file had  401 H/Q atoms
  Start of MODEL   26
    1   1H    LEU   1           HT3      LEU   1   7.055  15.931   2.006
    2   2H    LEU   1           HT2      LEU   1   8.487  16.118   1.112
    3   3H    LEU   1           HT1      LEU   1   8.284  16.949   2.580
    4    HA   LEU   1           HA       LEU   1   6.718  18.414   1.697
    5   1HB   LEU   1           HB2      LEU   1   9.063  18.797   0.922
    6   2HB   LEU   1           HB1      LEU   1   8.706  17.855  -0.525
    7    HG   LEU   1           HG       LEU   1   6.612  19.647  -0.464
    8   1HD1  LEU   1          HD11      LEU   1   9.116  20.943   0.628
    9   2HD1  LEU   1          HD13      LEU   1   7.874  21.867  -0.216
   10   3HD1  LEU   1          HD12      LEU   1   7.478  21.020   1.279
   11   1HD2  LEU   1          HD23      LEU   1   9.313  19.902  -1.822
   12   2HD2  LEU   1          HD22      LEU   1   7.917  19.018  -2.440
   13   3HD2  LEU   1          HD21      LEU   1   7.860  20.777  -2.302
   14    H    ALA   2           HN       ALA   2   4.853  18.632   0.512
   15    HA   ALA   2           HA       ALA   2   3.262  18.219  -1.188
   16   1HB   ALA   2           HB3      ALA   2   5.595  17.299  -2.374
   17   2HB   ALA   2           HB2      ALA   2   4.547  15.881  -2.397
   18   3HB   ALA   2           HB1      ALA   2   4.014  17.383  -3.151
   19    H    ALA   3           HN       ALA   3   4.716  14.999  -0.585
   20    HA   ALA   3           HA       ALA   3   2.833  14.134   1.347
   21   1HB   ALA   3           HB2      ALA   3   1.537  14.501  -1.040
   22   2HB   ALA   3           HB1      ALA   3   1.995  12.801  -1.151
   23   3HB   ALA   3           HB3      ALA   3   1.018  13.365   0.205
   24    H    VAL   4           HN       VAL   4   3.251  11.957   1.953
   25    HA   VAL   4           HA       VAL   4   5.494  10.683   0.437
   26    HB   VAL   4           HB       VAL   4   5.814   9.498   2.754
   27   1HG1  VAL   4          HG13      VAL   4   6.516  12.345   2.048
   28   2HG1  VAL   4          HG12      VAL   4   7.093  11.610   3.544
   29   3HG1  VAL   4          HG11      VAL   4   7.542  10.911   1.987
   30   1HG2  VAL   4          HG21      VAL   4   3.564  10.804   3.424
   31   2HG2  VAL   4          HG23      VAL   4   4.822  10.446   4.607
   32   3HG2  VAL   4          HG22      VAL   4   4.735  12.046   3.870
   33    H    SER   5           HN       SER   5   4.627   9.073  -0.783
   34    HA   SER   5           HA       SER   5   2.683   7.232   0.551
   35   1HB   SER   5           HB2      SER   5   2.133   8.812  -1.644
   36   2HB   SER   5           HB1      SER   5   2.606   7.287  -2.387
   37    HG   SER   5           HG       SER   5   0.655   6.693  -1.883
   38    H    VAL   6           HN       VAL   6   2.710   5.303  -1.558
   39    HA   VAL   6           HA       VAL   6   5.559   4.414  -1.401
   40    HB   VAL   6           HB       VAL   6   3.557   3.154  -0.147
   41   1HG1  VAL   6          HG12      VAL   6   2.526   2.862  -2.575
   42   2HG1  VAL   6          HG11      VAL   6   3.640   1.497  -2.637
   43   3HG1  VAL   6          HG13      VAL   6   2.405   1.570  -1.381
   44   1HG2  VAL   6          HG23      VAL   6   6.175   2.546  -0.970
   45   2HG2  VAL   6          HG22      VAL   6   5.241   1.718   0.276
   46   3HG2  VAL   6          HG21      VAL   6   5.217   1.124  -1.385
   47    H    ASP   7           HN       ASP   7   5.463   2.291  -3.144
   48    HA   ASP   7           HA       ASP   7   4.708   3.599  -5.732
   49   1HB   ASP   7           HB2      ASP   7   7.116   3.479  -5.594
   50   2HB   ASP   7           HB1      ASP   7   7.053   1.801  -5.056
   51    H    CYS   8           HN       CYS   8   3.248   2.452  -6.934
   52    HA   CYS   8           HA       CYS   8   3.128  -0.492  -6.611
   53   1HB   CYS   8           HB2      CYS   8   0.611   1.163  -6.400
   54   2HB   CYS   8           HB1      CYS   8   0.830  -0.547  -6.020
   55    H    SER   9           HN       SER   9   4.113   0.713  -8.845
   56    HA   SER   9           HA       SER   9   1.908   1.014 -10.792
   57   1HB   SER   9           HB2      SER   9   3.716   2.575 -11.078
   58   2HB   SER   9           HB1      SER   9   4.918   1.288 -11.012
   59    HG   SER   9           HG       SER   9   4.680   1.383 -13.114
   60    H    GLU  10           HN       GLU  10   2.859  -1.585  -9.382
   61    HA   GLU  10           HA       GLU  10   2.927  -3.209 -11.887
   62   1HB   GLU  10           HB2      GLU  10   4.560  -3.756  -9.387
   63   2HB   GLU  10           HB1      GLU  10   4.536  -4.744 -10.849
   64   1HG   GLU  10           HG2      GLU  10   6.376  -3.467 -11.355
   65   2HG   GLU  10           HG1      GLU  10   5.138  -2.364 -11.956
   66    H    TYR  11           HN       TYR  11   0.839  -2.440  -9.812
   67    HA   TYR  11           HA       TYR  11   0.150  -5.152  -8.850
   68   1HB   TYR  11           HB2      TYR  11  -0.603  -2.384  -7.866
   69   2HB   TYR  11           HB1      TYR  11  -1.303  -3.861  -7.216
   70    HD1  TYR  11           HD2      TYR  11   1.784  -1.875  -7.556
   71    HD2  TYR  11           HD1      TYR  11   0.031  -5.407  -5.857
   72    HE1  TYR  11           HE2      TYR  11   3.784  -2.176  -6.126
   73    HE2  TYR  11           HE1      TYR  11   2.038  -5.712  -4.423
   74    HH   TYR  11           HH       TYR  11   4.612  -4.921  -4.685
   75    HA   PRO  12           HA       PRO  12  -1.919  -5.485  -7.690
   76   1HB   PRO  12           HB2      PRO  12  -3.485  -7.679  -8.246
   77   2HB   PRO  12           HB1      PRO  12  -4.139  -6.118  -7.720
   78   1HG   PRO  12           HG2      PRO  12  -4.122  -7.323 -10.458
   79   2HG   PRO  12           HG1      PRO  12  -5.280  -6.192  -9.737
   80   1HD   PRO  12           HD2      PRO  12  -3.230  -5.482 -11.526
   81   2HD   PRO  12           HD1      PRO  12  -4.130  -4.378 -10.518
   82    H    LYS  13           HN       LYS  13  -0.894  -7.454  -6.954
   83    HA   LYS  13           HA       LYS  13   0.755  -8.771  -9.071
   84   1HB   LYS  13           HB2      LYS  13   1.426  -7.550  -6.580
   85   2HB   LYS  13           HB1      LYS  13   1.720  -9.281  -6.420
   86   1HG   LYS  13           HG2      LYS  13   2.935  -9.117  -8.681
   87   2HG   LYS  13           HG1      LYS  13   2.895  -7.368  -8.445
   88   1HD   LYS  13           HD2      LYS  13   3.996  -7.710  -6.212
   89   2HD   LYS  13           HD1      LYS  13   4.170  -9.419  -6.613
   90   1HE   LYS  13           HE2      LYS  13   5.688  -8.991  -8.350
   91   2HE   LYS  13           HE1      LYS  13   5.185  -7.307  -8.501
   92   1HZ   LYS  13           HZ1      LYS  13   6.477  -8.362  -6.056
   93   2HZ   LYS  13           HZ3      LYS  13   7.374  -7.732  -7.351
   94   3HZ   LYS  13           HZ2      LYS  13   6.273  -6.740  -6.520
   95    HA   PRO  14           HA       PRO  14  -1.369 -12.499  -8.021
   96   1HB   PRO  14           HB2      PRO  14   0.376 -14.250  -9.219
   97   2HB   PRO  14           HB1      PRO  14  -0.781 -13.250 -10.115
   98   1HG   PRO  14           HG2      PRO  14   2.169 -12.916  -9.834
   99   2HG   PRO  14           HG1      PRO  14   1.103 -12.403 -11.151
  100   1HD   PRO  14           HD2      PRO  14   2.156 -10.732  -9.157
  101   2HD   PRO  14           HD1      PRO  14   0.815 -10.331 -10.214
  102    H    ALA  15           HN       ALA  15   1.103 -11.405  -6.345
  103    HA   ALA  15           HA       ALA  15   1.059 -13.499  -4.375
  104   1HB   ALA  15           HB1      ALA  15   2.557 -14.526  -6.129
  105   2HB   ALA  15           HB3      ALA  15   3.682 -13.194  -5.864
  106   3HB   ALA  15           HB2      ALA  15   3.327 -14.322  -4.556
  107    H    CYS  16           HN       CYS  16   0.927 -12.059  -2.697
  108    HA   CYS  16           HA       CYS  16   2.512  -9.587  -2.729
  109   1HB   CYS  16           HB2      CYS  16   0.559 -10.770  -0.740
  110   2HB   CYS  16           HB1      CYS  16   1.429  -9.265  -0.449
  111    H    THR  17           HN       THR  17   4.312  -9.175  -1.457
  112    HA   THR  17           HA       THR  17   5.996 -11.306  -0.666
  113    HB   THR  17           HB       THR  17   6.964  -9.374   0.895
  114    HG1  THR  17           HG1      THR  17   5.510  -7.828   0.824
  115   1HG2  THR  17          HG23      THR  17   7.443 -10.271  -1.677
  116   2HG2  THR  17          HG22      THR  17   7.215  -8.538  -1.901
  117   3HG2  THR  17          HG21      THR  17   8.450  -9.128  -0.790
  118    H    LEU  18           HN       LEU  18   6.773 -10.892   1.977
  119    HA   LEU  18           HA       LEU  18   4.278 -11.636   3.446
  120   1HB   LEU  18           HB2      LEU  18   7.131 -12.601   3.791
  121   2HB   LEU  18           HB1      LEU  18   5.864 -12.906   4.978
  122    HG   LEU  18           HG       LEU  18   5.200 -13.563   2.159
  123   1HD1  LEU  18          HD12      LEU  18   7.666 -14.409   3.159
  124   2HD1  LEU  18          HD11      LEU  18   6.591 -15.775   3.460
  125   3HD1  LEU  18          HD13      LEU  18   6.779 -15.144   1.824
  126   1HD2  LEU  18          HD21      LEU  18   4.136 -14.024   4.697
  127   2HD2  LEU  18          HD23      LEU  18   3.630 -14.815   3.204
  128   3HD2  LEU  18          HD22      LEU  18   4.833 -15.579   4.243
  129    H    GLU  19           HN       GLU  19   7.048  -9.554   3.346
  130    HA   GLU  19           HA       GLU  19   7.472  -8.729   5.944
  131   1HB   GLU  19           HB2      GLU  19   7.048  -6.909   3.551
  132   2HB   GLU  19           HB1      GLU  19   7.842  -6.443   5.055
  133   1HG   GLU  19           HG2      GLU  19   9.784  -7.245   4.256
  134   2HG   GLU  19           HG1      GLU  19   9.067  -8.855   4.179
  135    H    TYR  20           HN       TYR  20   6.376  -7.388   7.448
  136    HA   TYR  20           HA       TYR  20   3.478  -7.025   6.840
  137   1HB   TYR  20           HB2      TYR  20   3.968  -8.430   8.801
  138   2HB   TYR  20           HB1      TYR  20   4.910  -7.119   9.512
  139    HD1  TYR  20           HD2      TYR  20   1.626  -7.145   7.700
  140    HD2  TYR  20           HD1      TYR  20   3.727  -6.259  11.340
  141    HE1  TYR  20           HE2      TYR  20  -0.445  -6.174   8.659
  142    HE2  TYR  20           HE1      TYR  20   1.655  -5.291  12.299
  143    HH   TYR  20           HH       TYR  20  -0.474  -4.787  11.947
  144    H    ARG  21           HN       ARG  21   3.552  -5.001   5.817
  145    HA   ARG  21           HA       ARG  21   4.468  -2.741   7.553
  146   1HB   ARG  21           HB2      ARG  21   4.295  -2.462   4.571
  147   2HB   ARG  21           HB1      ARG  21   5.341  -1.616   5.713
  148   1HG   ARG  21           HG2      ARG  21   6.433  -3.921   6.130
  149   2HG   ARG  21           HG1      ARG  21   5.619  -4.427   4.649
  150   1HD   ARG  21           HD2      ARG  21   7.659  -3.684   3.806
  151   2HD   ARG  21           HD1      ARG  21   6.680  -2.223   3.665
  152    HE   ARG  21           HE       ARG  21   7.857  -2.122   6.214
  153   1HH1  ARG  21          HH21      ARG  21   9.754  -3.385   3.894
  154   2HH1  ARG  21          HH22      ARG  21  10.817  -2.030   3.706
  155   1HH2  ARG  21          HH11      ARG  21   8.831   0.123   5.562
  156   2HH2  ARG  21          HH12      ARG  21  10.294  -0.045   4.650
  157    HA   PRO  22           HA       PRO  22  -0.016  -2.279   7.038
  158   1HB   PRO  22           HB2      PRO  22  -0.304  -0.818   9.369
  159   2HB   PRO  22           HB1      PRO  22  -0.327  -2.596   9.293
  160   1HG   PRO  22           HG2      PRO  22   1.867  -0.775  10.206
  161   2HG   PRO  22           HG1      PRO  22   1.475  -2.418  10.742
  162   1HD   PRO  22           HD2      PRO  22   3.552  -1.777   8.982
  163   2HD   PRO  22           HD1      PRO  22   2.814  -3.386   9.136
  164    H    LEU  23           HN       LEU  23  -0.068  -0.834   5.305
  165    HA   LEU  23           HA       LEU  23   0.858   1.951   5.793
  166   1HB   LEU  23           HB2      LEU  23  -0.167   0.762   3.203
  167   2HB   LEU  23           HB1      LEU  23   0.854   2.186   3.412
  168    HG   LEU  23           HG       LEU  23   1.891  -0.378   4.520
  169   1HD1  LEU  23          HD12      LEU  23   1.565   0.205   1.580
  170   2HD1  LEU  23          HD11      LEU  23   2.848  -0.841   2.188
  171   3HD1  LEU  23          HD13      LEU  23   1.159  -1.271   2.457
  172   1HD2  LEU  23          HD23      LEU  23   2.918   2.159   3.320
  173   2HD2  LEU  23          HD22      LEU  23   3.444   1.313   4.774
  174   3HD2  LEU  23          HD21      LEU  23   3.923   0.716   3.185
  175    H    CYS  24           HN       CYS  24  -0.676   3.495   6.278
  176    HA   CYS  24           HA       CYS  24  -3.489   2.657   6.065
  177   1HB   CYS  24           HB2      CYS  24  -2.143   4.992   7.444
  178   2HB   CYS  24           HB1      CYS  24  -3.885   4.831   7.334
  179    H    GLY  25           HN       GLY  25  -4.701   3.164   4.386
  180   1HA   GLY  25           HA2      GLY  25  -4.004   4.567   2.087
  181   2HA   GLY  25           HA1      GLY  25  -5.599   4.406   2.651
  182    H    SER  26           HN       SER  26  -5.335   6.767   1.451
  183    HA   SER  26           HA       SER  26  -4.473   8.768   3.455
  184   1HB   SER  26           HB2      SER  26  -4.010   9.354   1.180
  185   2HB   SER  26           HB1      SER  26  -5.655   8.989   0.678
  186    HG   SER  26           HG       SER  26  -5.253  11.247   0.986
  187    H    ASP  27           HN       ASP  27  -7.178   6.890   3.054
  188    HA   ASP  27           HA       ASP  27  -9.016   9.017   4.039
  189   1HB   ASP  27           HB2      ASP  27 -10.838   7.547   3.419
  190   2HB   ASP  27           HB1      ASP  27  -9.721   7.634   2.055
  191    H    ASN  28           HN       ASN  28  -7.498   5.969   4.859
  192    HA   ASN  28           HA       ASN  28  -7.030   5.810   7.370
  193   1HB   ASN  28           HB2      ASN  28  -8.938   7.168   8.074
  194   2HB   ASN  28           HB1      ASN  28 -10.059   5.968   7.431
  195   1HD2  ASN  28          HD22      ASN  28 -10.003   4.919  10.879
  196   2HD2  ASN  28          HD21      ASN  28 -10.829   5.932   9.795
  197    H    LYS  29           HN       LYS  29  -7.073   4.076   5.086
  198    HA   LYS  29           HA       LYS  29  -8.498   1.665   6.119
  199   1HB   LYS  29           HB2      LYS  29  -6.931   1.448   3.610
  200   2HB   LYS  29           HB1      LYS  29  -8.559   0.876   3.973
  201   1HG   LYS  29           HG2      LYS  29  -9.108   3.469   3.994
  202   2HG   LYS  29           HG1      LYS  29  -7.671   3.555   2.975
  203   1HD   LYS  29           HD2      LYS  29  -9.353   3.223   1.387
  204   2HD   LYS  29           HD1      LYS  29  -8.809   1.571   1.681
  205   1HE   LYS  29           HE2      LYS  29 -10.675   1.817   3.639
  206   2HE   LYS  29           HE1      LYS  29 -11.368   2.877   2.413
  207   1HZ   LYS  29           HZ2      LYS  29 -10.342   0.337   1.456
  208   2HZ   LYS  29           HZ1      LYS  29 -11.719   0.243   2.448
  209   3HZ   LYS  29           HZ3      LYS  29 -11.760   1.170   1.028
  210    H    THR  30           HN       THR  30  -7.048  -0.434   5.824
  211    HA   THR  30           HA       THR  30  -4.211   0.207   6.462
  212    HB   THR  30           HB       THR  30  -5.982  -1.612   8.118
  213    HG1  THR  30           HG1      THR  30  -6.077   0.691   8.489
  214   1HG2  THR  30          HG22      THR  30  -3.072  -1.452   7.716
  215   2HG2  THR  30          HG21      THR  30  -3.557  -1.354   9.408
  216   3HG2  THR  30          HG23      THR  30  -4.038  -2.742   8.432
  217    H    TYR  31           HN       TYR  31  -2.906  -1.010   5.236
  218    HA   TYR  31           HA       TYR  31  -3.957  -3.627   4.240
  219   1HB   TYR  31           HB2      TYR  31  -2.206  -1.549   2.928
  220   2HB   TYR  31           HB1      TYR  31  -2.305  -3.202   2.322
  221    HD1  TYR  31           HD1      TYR  31  -4.414  -0.258   3.257
  222    HD2  TYR  31           HD2      TYR  31  -4.139  -3.877   0.965
  223    HE1  TYR  31           HE1      TYR  31  -6.555   0.287   2.139
  224    HE2  TYR  31           HE2      TYR  31  -6.276  -3.330  -0.157
  225    HH   TYR  31           HH       TYR  31  -8.451  -1.637   0.761
  226    H    GLY  32           HN       GLY  32  -2.814  -5.377   4.852
  227   1HA   GLY  32           HA2      GLY  32  -0.993  -5.444   6.860
  228   2HA   GLY  32           HA1      GLY  32  -0.971  -6.664   5.615
  229    H    ASN  33           HN       ASN  33   0.111  -5.529   3.433
  230    HA   ASN  33           HA       ASN  33   2.501  -4.041   4.395
  231   1HB   ASN  33           HB2      ASN  33   4.013  -5.451   3.092
  232   2HB   ASN  33           HB1      ASN  33   3.156  -6.385   4.288
  233   1HD2  ASN  33          HD22      ASN  33   2.923  -8.400   1.239
  234   2HD2  ASN  33          HD21      ASN  33   4.102  -7.956   2.373
  235    H    LYS  34           HN       LYS  34   3.897  -3.952   2.056
  236    HA   LYS  34           HA       LYS  34   2.649  -1.822   0.675
  237   1HB   LYS  34           HB2      LYS  34   4.591  -2.042  -0.802
  238   2HB   LYS  34           HB1      LYS  34   5.088  -2.192   0.873
  239   1HG   LYS  34           HG2      LYS  34   5.048  -4.650   0.670
  240   2HG   LYS  34           HG1      LYS  34   4.532  -4.504  -1.011
  241   1HD   LYS  34           HD2      LYS  34   6.966  -2.972  -0.317
  242   2HD   LYS  34           HD1      LYS  34   7.138  -4.727  -0.252
  243   1HE   LYS  34           HE2      LYS  34   6.810  -4.980  -2.510
  244   2HE   LYS  34           HE1      LYS  34   5.702  -3.612  -2.610
  245   1HZ   LYS  34           HZ2      LYS  34   8.094  -2.511  -1.879
  246   2HZ   LYS  34           HZ1      LYS  34   8.528  -3.695  -3.018
  247   3HZ   LYS  34           HZ3      LYS  34   7.413  -2.486  -3.436
  248    H    CYS  35           HN       CYS  35   2.787  -5.306  -0.085
  249    HA   CYS  35           HA       CYS  35   1.828  -4.931  -2.772
  250   1HB   CYS  35           HB2      CYS  35   2.993  -6.986  -2.189
  251   2HB   CYS  35           HB1      CYS  35   1.760  -7.376  -0.989
  252    H    ASN  36           HN       ASN  36   0.228  -5.575   0.328
  253    HA   ASN  36           HA       ASN  36  -2.397  -5.900  -0.856
  254   1HB   ASN  36           HB2      ASN  36  -1.357  -5.421   1.928
  255   2HB   ASN  36           HB1      ASN  36  -3.083  -5.272   1.602
  256   1HD2  ASN  36          HD22      ASN  36  -1.326  -8.962   1.532
  257   2HD2  ASN  36          HD21      ASN  36  -0.370  -7.563   1.611
  258    H    PHE  37           HN       PHE  37  -0.700  -3.204   0.713
  259    HA   PHE  37           HA       PHE  37  -2.798  -1.263   0.415
  260   1HB   PHE  37           HB2      PHE  37  -0.687  -1.147   1.826
  261   2HB   PHE  37           HB1      PHE  37   0.162  -0.648   0.464
  262    HD1  PHE  37           HD1      PHE  37  -2.886   0.338   2.374
  263    HD2  PHE  37           HD2      PHE  37   0.247   1.386  -0.325
  264    HE1  PHE  37           HE1      PHE  37  -3.671   2.693   2.411
  265    HE2  PHE  37           HE2      PHE  37  -0.494   3.733  -0.320
  266    HZ   PHE  37           HZ       PHE  37  -2.454   4.410   1.065
  267    H    CYS  38           HN       CYS  38  -0.262  -2.427  -1.535
  268    HA   CYS  38           HA       CYS  38  -0.379  -0.265  -3.483
  269   1HB   CYS  38           HB2      CYS  38   0.968  -2.949  -3.399
  270   2HB   CYS  38           HB1      CYS  38   0.806  -2.123  -4.939
  271    H    ASN  39           HN       ASN  39  -1.835  -3.504  -3.275
  272    HA   ASN  39           HA       ASN  39  -2.975  -3.527  -5.889
  273   1HB   ASN  39           HB2      ASN  39  -3.870  -4.739  -3.256
  274   2HB   ASN  39           HB1      ASN  39  -4.781  -4.975  -4.749
  275   1HD2  ASN  39          HD22      ASN  39  -2.296  -7.770  -4.414
  276   2HD2  ASN  39          HD21      ASN  39  -3.571  -7.203  -3.449
  277    H    ALA  40           HN       ALA  40  -4.417  -2.547  -2.777
  278    HA   ALA  40           HA       ALA  40  -6.806  -1.428  -3.765
  279   1HB   ALA  40           HB1      ALA  40  -5.071  -0.758  -1.382
  280   2HB   ALA  40           HB3      ALA  40  -6.582   0.097  -1.693
  281   3HB   ALA  40           HB2      ALA  40  -6.595  -1.643  -1.408
  282    H    VAL  41           HN       VAL  41  -3.524  -0.202  -3.859
  283    HA   VAL  41           HA       VAL  41  -4.281   2.550  -4.462
  284    HB   VAL  41           HB       VAL  41  -1.684   1.011  -4.681
  285   1HG1  VAL  41          HG12      VAL  41  -2.452   3.459  -6.000
  286   2HG1  VAL  41          HG11      VAL  41  -1.207   3.802  -4.800
  287   3HG1  VAL  41          HG13      VAL  41  -0.909   2.608  -6.064
  288   1HG2  VAL  41          HG23      VAL  41  -2.942   2.011  -2.483
  289   2HG2  VAL  41          HG22      VAL  41  -1.190   1.880  -2.626
  290   3HG2  VAL  41          HG21      VAL  41  -1.990   3.413  -2.970
  291    H    VAL  42           HN       VAL  42  -3.338  -0.292  -6.379
  292    HA   VAL  42           HA       VAL  42  -3.410   1.236  -8.863
  293    HB   VAL  42           HB       VAL  42  -1.753  -0.475  -8.734
  294   1HG1  VAL  42          HG11      VAL  42  -4.006  -2.074  -7.609
  295   2HG1  VAL  42          HG13      VAL  42  -2.767  -2.931  -8.517
  296   3HG1  VAL  42          HG12      VAL  42  -2.322  -1.992  -7.095
  297   1HG2  VAL  42          HG22      VAL  42  -3.591  -0.341 -10.744
  298   2HG2  VAL  42          HG21      VAL  42  -2.134  -1.334 -10.794
  299   3HG2  VAL  42          HG23      VAL  42  -3.672  -2.051 -10.315
  300    H    GLU  43           HN       GLU  43  -5.731  -0.333  -6.924
  301    HA   GLU  43           HA       GLU  43  -7.481  -1.013  -9.192
  302   1HB   GLU  43           HB2      GLU  43  -9.020  -1.599  -7.229
  303   2HB   GLU  43           HB1      GLU  43  -7.617  -2.603  -7.400
  304   1HG   GLU  43           HG2      GLU  43  -6.862  -1.957  -5.415
  305   2HG   GLU  43           HG1      GLU  43  -7.110  -0.252  -5.795
  306    H    SER  44           HN       SER  44  -6.737   1.578  -7.105
  307    HA   SER  44           HA       SER  44  -9.380   2.876  -7.632
  308   1HB   SER  44           HB2      SER  44  -9.195   3.921  -5.586
  309   2HB   SER  44           HB1      SER  44  -8.173   2.532  -5.240
  310    HG   SER  44           HG       SER  44  -6.510   3.810  -5.179
  311    H    ASN  45           HN       ASN  45  -6.601   2.688  -9.167
  312    HA   ASN  45           HA       ASN  45  -5.492   4.099 -10.672
  313   1HB   ASN  45           HB2      ASN  45  -8.025   5.571 -10.111
  314   2HB   ASN  45           HB1      ASN  45  -6.697   6.503 -10.795
  315   1HD2  ASN  45          HD22      ASN  45  -7.680   3.238 -13.074
  316   2HD2  ASN  45          HD21      ASN  45  -7.385   3.045 -11.414
  317    H    GLY  46           HN       GLY  46  -5.359   4.264  -7.540
  318   1HA   GLY  46           HA2      GLY  46  -3.624   5.227  -6.239
  319   2HA   GLY  46           HA1      GLY  46  -3.299   6.370  -7.533
  320    H    THR  47           HN       THR  47  -6.598   6.033  -6.676
  321    HA   THR  47           HA       THR  47  -6.668   8.769  -5.625
  322    HB   THR  47           HB       THR  47  -9.067   8.492  -5.598
  323    HG1  THR  47           HG1      THR  47 -10.007   6.551  -5.571
  324   1HG2  THR  47          HG22      THR  47  -7.472   7.649  -7.898
  325   2HG2  THR  47          HG21      THR  47  -9.114   7.008  -7.943
  326   3HG2  THR  47          HG23      THR  47  -8.849   8.747  -7.831
  327    H    LEU  48           HN       LEU  48  -6.129   5.681  -4.396
  328    HA   LEU  48           HA       LEU  48  -7.281   6.060  -1.746
  329   1HB   LEU  48           HB2      LEU  48  -7.175   3.807  -2.327
  330   2HB   LEU  48           HB1      LEU  48  -5.658   4.003  -3.192
  331    HG   LEU  48           HG       LEU  48  -4.415   4.118  -1.112
  332   1HD1  LEU  48          HD13      LEU  48  -7.163   4.378   0.042
  333   2HD1  LEU  48          HD12      LEU  48  -5.903   3.609   1.007
  334   3HD1  LEU  48          HD11      LEU  48  -5.693   5.264   0.440
  335   1HD2  LEU  48          HD22      LEU  48  -5.458   1.885  -2.086
  336   2HD2  LEU  48          HD21      LEU  48  -4.600   1.872  -0.545
  337   3HD2  LEU  48          HD23      LEU  48  -6.364   1.907  -0.573
  338    H    THR  49           HN       THR  49  -3.951   5.355  -2.615
  339    HA   THR  49           HA       THR  49  -1.917   6.188  -1.849
  340    HB   THR  49           HB       THR  49  -1.717   8.487  -1.835
  341    HG1  THR  49           HG1      THR  49  -2.846   9.644  -0.511
  342   1HG2  THR  49          HG22      THR  49  -3.562   7.463  -3.625
  343   2HG2  THR  49          HG21      THR  49  -4.384   8.874  -2.959
  344   3HG2  THR  49          HG23      THR  49  -2.805   9.052  -3.725
  345    H    LEU  50           HN       LEU  50  -0.958   7.226   0.286
  346    HA   LEU  50           HA       LEU  50  -2.651   6.322   2.555
  347   1HB   LEU  50           HB2      LEU  50  -1.129   4.674   2.723
  348   2HB   LEU  50           HB1      LEU  50  -0.029   5.468   1.604
  349    HG   LEU  50           HG       LEU  50  -0.322   6.524   4.395
  350   1HD1  LEU  50          HD12      LEU  50   1.265   4.145   3.451
  351   2HD1  LEU  50          HD11      LEU  50   1.549   4.977   4.979
  352   3HD1  LEU  50          HD13      LEU  50   0.011   4.168   4.690
  353   1HD2  LEU  50          HD21      LEU  50   1.159   7.260   2.164
  354   2HD2  LEU  50          HD23      LEU  50   1.537   7.713   3.826
  355   3HD2  LEU  50          HD22      LEU  50   2.308   6.303   3.099
  356    H    SER  51           HN       SER  51  -2.228   7.404   4.568
  357    HA   SER  51           HA       SER  51  -1.395  10.177   4.192
  358   1HB   SER  51           HB2      SER  51  -2.704  10.533   6.067
  359   2HB   SER  51           HB1      SER  51  -3.665   9.416   5.231
  360    HG   SER  51           HG       SER  51  -2.764   9.289   7.654
  361    H    HIS  52           HN       HIS  52  -1.093   7.505   6.501
  362    HA   HIS  52           HA       HIS  52   1.657   8.457   7.164
  363   1HB   HIS  52           HB2      HIS  52   1.258   7.913   9.507
  364   2HB   HIS  52           HB1      HIS  52   0.015   9.040   8.959
  365    HD1  HIS  52           HD1      HIS  52   0.413   5.823  10.577
  366    HD2  HIS  52           HD2      HIS  52  -2.474   7.532   8.111
  367    HE1  HIS  52           HE1      HIS  52  -1.678   4.419  10.818
  368    H    PHE  53           HN       PHE  53   3.191   6.824   7.354
  369    HA   PHE  53           HA       PHE  53   2.436   4.180   6.359
  370   1HB   PHE  53           HB2      PHE  53   5.065   5.366   7.274
  371   2HB   PHE  53           HB1      PHE  53   4.896   3.708   6.695
  372    HD1  PHE  53           HD2      PHE  53   4.345   7.269   5.744
  373    HD2  PHE  53           HD1      PHE  53   4.798   3.223   4.376
  374    HE1  PHE  53           HE2      PHE  53   4.455   8.073   3.404
  375    HE2  PHE  53           HE1      PHE  53   4.909   4.028   2.033
  376    HZ   PHE  53           HZ       PHE  53   4.736   6.454   1.547
  377    H    GLY  54           HN       GLY  54   1.602   2.697   7.700
  378   1HA   GLY  54           HA2      GLY  54   2.480   1.287   9.705
  379   2HA   GLY  54           HA1      GLY  54   2.255   2.790  10.579
  380    H    LYS  55           HN       LYS  55   0.743   0.827  11.499
  381    HA   LYS  55           HA       LYS  55  -1.821   0.614  10.142
  382   1HB   LYS  55           HB2      LYS  55  -2.296   0.078  12.875
  383   2HB   LYS  55           HB1      LYS  55  -2.034  -1.107  11.599
  384   1HG   LYS  55           HG2      LYS  55   0.408  -0.990  12.012
  385   2HG   LYS  55           HG1      LYS  55   0.122   0.167  13.312
  386   1HD   LYS  55           HD2      LYS  55  -1.610  -1.950  13.884
  387   2HD   LYS  55           HD1      LYS  55  -0.125  -2.733  13.346
  388   1HE   LYS  55           HE2      LYS  55   0.491  -2.421  15.527
  389   2HE   LYS  55           HE1      LYS  55   0.923  -0.814  14.940
  390   1HZ   LYS  55           HZ1      LYS  55  -1.828  -1.331  15.827
  391   2HZ   LYS  55           HZ3      LYS  55  -0.620  -1.078  16.991
  392   3HZ   LYS  55           HZ2      LYS  55  -0.948   0.122  15.834
  393    H    CYS  56           HN       CYS  56  -3.695   1.645  10.570
  394    HA   CYS  56           HA       CYS  56  -3.484   4.409  11.281
  395   1HB   CYS  56           HB2      CYS  56  -6.106   2.959  11.130
  396   2HB   CYS  56           HB1      CYS  56  -5.699   4.583  10.582
   
  No H/Q in entry =         396
  Start of MODEL          27
 Raw file had  401 H/Q atoms
  Start of MODEL   27
    1   1H    LEU   1           HT3      LEU   1   0.290  14.890   2.194
    2   2H    LEU   1           HT2      LEU   1  -1.326  14.490   2.538
    3   3H    LEU   1           HT1      LEU   1  -0.215  13.271   2.128
    4    HA   LEU   1           HA       LEU   1  -1.076  13.460   0.083
    5   1HB   LEU   1           HB2      LEU   1  -2.652  15.292   1.288
    6   2HB   LEU   1           HB1      LEU   1  -1.734  16.359   0.224
    7    HG   LEU   1           HG       LEU   1  -2.844  13.825  -0.921
    8   1HD1  LEU   1          HD12      LEU   1  -4.427  16.039   0.206
    9   2HD1  LEU   1          HD11      LEU   1  -4.803  15.675  -1.479
   10   3HD1  LEU   1          HD13      LEU   1  -4.935  14.414  -0.254
   11   1HD2  LEU   1          HD22      LEU   1  -2.486  16.654  -1.964
   12   2HD2  LEU   1          HD21      LEU   1  -1.386  15.308  -2.255
   13   3HD2  LEU   1          HD23      LEU   1  -3.018  15.271  -2.920
   14    H    ALA   2           HN       ALA   2   1.615  13.760   0.592
   15    HA   ALA   2           HA       ALA   2   2.400  15.626  -1.587
   16   1HB   ALA   2           HB3      ALA   2   3.488  15.579   1.226
   17   2HB   ALA   2           HB2      ALA   2   4.471  16.160  -0.118
   18   3HB   ALA   2           HB1      ALA   2   2.954  16.966   0.277
   19    H    ALA   3           HN       ALA   3   4.684  14.047   0.551
   20    HA   ALA   3           HA       ALA   3   5.354  12.181  -1.688
   21   1HB   ALA   3           HB3      ALA   3   6.967  14.016  -0.286
   22   2HB   ALA   3           HB2      ALA   3   7.430  12.423   0.314
   23   3HB   ALA   3           HB1      ALA   3   7.509  12.773  -1.414
   24    H    VAL   4           HN       VAL   4   3.406  11.086  -0.368
   25    HA   VAL   4           HA       VAL   4   4.714   9.220   1.563
   26    HB   VAL   4           HB       VAL   4   1.827   9.546   1.972
   27   1HG1  VAL   4          HG12      VAL   4   4.348   9.278   3.517
   28   2HG1  VAL   4          HG11      VAL   4   3.029  10.119   4.330
   29   3HG1  VAL   4          HG13      VAL   4   2.796   8.473   3.746
   30   1HG2  VAL   4          HG22      VAL   4   2.414  11.889   1.326
   31   2HG2  VAL   4          HG21      VAL   4   1.940  11.758   3.020
   32   3HG2  VAL   4          HG23      VAL   4   3.645  11.902   2.589
   33    H    SER   5           HN       SER   5   4.908   8.186  -0.724
   34    HA   SER   5           HA       SER   5   2.516   6.438  -1.105
   35   1HB   SER   5           HB2      SER   5   2.846   6.508  -3.521
   36   2HB   SER   5           HB1      SER   5   2.661   8.152  -2.919
   37    HG   SER   5           HG       SER   5   4.783   6.954  -4.134
   38    H    VAL   6           HN       VAL   6   3.034   4.292  -1.859
   39    HA   VAL   6           HA       VAL   6   5.854   3.528  -1.277
   40    HB   VAL   6           HB       VAL   6   3.320   1.882  -1.232
   41   1HG1  VAL   6          HG12      VAL   6   6.109   1.139  -1.340
   42   2HG1  VAL   6          HG11      VAL   6   5.430   0.649   0.211
   43   3HG1  VAL   6          HG13      VAL   6   4.693   0.090  -1.291
   44   1HG2  VAL   6          HG23      VAL   6   4.634   3.595   0.725
   45   2HG2  VAL   6          HG22      VAL   6   3.054   2.813   0.809
   46   3HG2  VAL   6          HG21      VAL   6   4.501   1.935   1.307
   47    H    ASP   7           HN       ASP   7   4.357   4.379  -3.833
   48    HA   ASP   7           HA       ASP   7   4.520   3.883  -6.129
   49   1HB   ASP   7           HB2      ASP   7   6.920   3.740  -5.683
   50   2HB   ASP   7           HB1      ASP   7   6.737   2.084  -5.107
   51    H    CYS   8           HN       CYS   8   3.109   2.638  -7.270
   52    HA   CYS   8           HA       CYS   8   2.953  -0.257  -6.726
   53   1HB   CYS   8           HB2      CYS   8   0.438   1.415  -6.621
   54   2HB   CYS   8           HB1      CYS   8   0.623  -0.288  -6.202
   55    H    SER   9           HN       SER   9   3.949   0.849  -9.028
   56    HA   SER   9           HA       SER   9   1.752   0.991 -10.999
   57   1HB   SER   9           HB2      SER   9   4.371   2.067 -10.840
   58   2HB   SER   9           HB1      SER   9   4.362   0.957 -12.207
   59    HG   SER   9           HG       SER   9   2.504   2.049 -12.968
   60    H    GLU  10           HN       GLU  10   2.876  -1.525  -9.484
   61    HA   GLU  10           HA       GLU  10   3.039  -3.212 -11.952
   62   1HB   GLU  10           HB2      GLU  10   4.517  -4.745 -10.657
   63   2HB   GLU  10           HB1      GLU  10   5.227  -3.144 -10.870
   64   1HG   GLU  10           HG2      GLU  10   3.583  -3.215  -8.487
   65   2HG   GLU  10           HG1      GLU  10   4.809  -4.482  -8.434
   66    H    TYR  11           HN       TYR  11   1.325  -2.509  -9.156
   67    HA   TYR  11           HA       TYR  11   0.377  -5.199  -8.615
   68   1HB   TYR  11           HB2      TYR  11  -0.524  -2.497  -7.565
   69   2HB   TYR  11           HB1      TYR  11  -0.931  -4.060  -6.865
   70    HD1  TYR  11           HD2      TYR  11   1.849  -1.695  -7.542
   71    HD2  TYR  11           HD1      TYR  11   0.661  -5.310  -5.545
   72    HE1  TYR  11           HE2      TYR  11   3.977  -1.698  -6.262
   73    HE2  TYR  11           HE1      TYR  11   2.783  -5.303  -4.267
   74    HH   TYR  11           HH       TYR  11   5.060  -4.381  -4.491
   75    HA   PRO  12           HA       PRO  12  -1.728  -5.552  -7.477
   76   1HB   PRO  12           HB2      PRO  12  -3.271  -7.728  -8.158
   77   2HB   PRO  12           HB1      PRO  12  -3.943  -6.191  -7.582
   78   1HG   PRO  12           HG2      PRO  12  -3.846  -7.278 -10.371
   79   2HG   PRO  12           HG1      PRO  12  -5.042  -6.201  -9.628
   80   1HD   PRO  12           HD2      PRO  12  -2.980  -5.366 -11.336
   81   2HD   PRO  12           HD1      PRO  12  -3.894  -4.329 -10.272
   82    H    LYS  13           HN       LYS  13  -0.816  -7.638  -6.815
   83    HA   LYS  13           HA       LYS  13   0.826  -8.915  -8.964
   84   1HB   LYS  13           HB2      LYS  13   1.581  -7.666  -6.453
   85   2HB   LYS  13           HB1      LYS  13   2.086  -9.354  -6.492
   86   1HG   LYS  13           HG2      LYS  13   2.900  -8.745  -8.925
   87   2HG   LYS  13           HG1      LYS  13   2.884  -7.096  -8.299
   88   1HD   LYS  13           HD2      LYS  13   5.098  -8.031  -7.943
   89   2HD   LYS  13           HD1      LYS  13   4.300  -7.869  -6.379
   90   1HE   LYS  13           HE2      LYS  13   3.797 -10.204  -6.286
   91   2HE   LYS  13           HE1      LYS  13   4.230 -10.434  -7.981
   92   1HZ   LYS  13           HZ2      LYS  13   6.477  -9.376  -6.981
   93   2HZ   LYS  13           HZ1      LYS  13   5.926 -10.272  -5.647
   94   3HZ   LYS  13           HZ3      LYS  13   6.195 -11.044  -7.133
   95    HA   PRO  14           HA       PRO  14  -1.179 -12.607  -7.578
   96   1HB   PRO  14           HB2      PRO  14   0.422 -14.383  -8.932
   97   2HB   PRO  14           HB1      PRO  14  -0.843 -13.413  -9.706
   98   1HG   PRO  14           HG2      PRO  14   2.115 -13.065  -9.810
   99   2HG   PRO  14           HG1      PRO  14   0.886 -12.572 -10.986
  100   1HD   PRO  14           HD2      PRO  14   2.187 -10.876  -9.155
  101   2HD   PRO  14           HD1      PRO  14   0.739 -10.480 -10.064
  102    H    ALA  15           HN       ALA  15   1.450 -11.451  -6.237
  103    HA   ALA  15           HA       ALA  15   1.734 -13.651  -4.336
  104   1HB   ALA  15           HB1      ALA  15   3.513 -13.541  -6.545
  105   2HB   ALA  15           HB3      ALA  15   4.420 -12.983  -5.140
  106   3HB   ALA  15           HB2      ALA  15   3.640 -14.566  -5.116
  107    H    CYS  16           HN       CYS  16   1.242 -12.201  -2.668
  108    HA   CYS  16           HA       CYS  16   2.610  -9.605  -2.538
  109   1HB   CYS  16           HB2      CYS  16   0.707 -10.979  -0.610
  110   2HB   CYS  16           HB1      CYS  16   1.360  -9.358  -0.381
  111    H    THR  17           HN       THR  17   4.365  -9.124  -1.261
  112    HA   THR  17           HA       THR  17   6.092 -11.181  -0.360
  113    HB   THR  17           HB       THR  17   6.940  -9.156   1.173
  114    HG1  THR  17           HG1      THR  17   5.171  -7.844   0.838
  115   1HG2  THR  17          HG21      THR  17   7.443 -10.100  -1.458
  116   2HG2  THR  17          HG23      THR  17   7.460  -8.338  -1.529
  117   3HG2  THR  17          HG22      THR  17   8.530  -9.186  -0.413
  118    H    LEU  18           HN       LEU  18   6.806 -10.806   2.238
  119    HA   LEU  18           HA       LEU  18   4.281 -11.467   3.693
  120   1HB   LEU  18           HB2      LEU  18   7.098 -12.523   3.962
  121   2HB   LEU  18           HB1      LEU  18   5.936 -12.682   5.279
  122    HG   LEU  18           HG       LEU  18   4.765 -13.446   2.726
  123   1HD1  LEU  18          HD11      LEU  18   7.332 -14.756   3.630
  124   2HD1  LEU  18          HD13      LEU  18   6.126 -15.639   2.694
  125   3HD1  LEU  18          HD12      LEU  18   6.896 -14.206   2.012
  126   1HD2  LEU  18          HD21      LEU  18   4.380 -13.977   5.383
  127   2HD2  LEU  18          HD23      LEU  18   3.709 -14.953   4.076
  128   3HD2  LEU  18          HD22      LEU  18   5.210 -15.443   4.862
  129    H    GLU  19           HN       GLU  19   7.114  -9.443   3.630
  130    HA   GLU  19           HA       GLU  19   7.417  -8.607   6.259
  131   1HB   GLU  19           HB2      GLU  19   7.379  -6.961   3.717
  132   2HB   GLU  19           HB1      GLU  19   7.845  -6.292   5.282
  133   1HG   GLU  19           HG2      GLU  19   9.892  -7.225   5.139
  134   2HG   GLU  19           HG1      GLU  19   9.187  -8.809   4.827
  135    H    TYR  20           HN       TYR  20   5.945  -7.963   7.736
  136    HA   TYR  20           HA       TYR  20   3.258  -7.192   6.882
  137   1HB   TYR  20           HB2      TYR  20   3.585  -8.594   8.881
  138   2HB   TYR  20           HB1      TYR  20   4.478  -7.282   9.656
  139    HD1  TYR  20           HD2      TYR  20   1.335  -7.406   7.611
  140    HD2  TYR  20           HD1      TYR  20   3.184  -6.287  11.322
  141    HE1  TYR  20           HE2      TYR  20  -0.800  -6.398   8.369
  142    HE2  TYR  20           HE1      TYR  20   1.049  -5.281  12.083
  143    HH   TYR  20           HH       TYR  20  -1.222  -4.304  10.395
  144    H    ARG  21           HN       ARG  21   3.780  -5.197   5.753
  145    HA   ARG  21           HA       ARG  21   4.497  -2.942   7.583
  146   1HB   ARG  21           HB2      ARG  21   4.563  -3.013   4.546
  147   2HB   ARG  21           HB1      ARG  21   5.142  -1.703   5.577
  148   1HG   ARG  21           HG2      ARG  21   6.434  -3.980   6.560
  149   2HG   ARG  21           HG1      ARG  21   6.486  -4.168   4.808
  150   1HD   ARG  21           HD2      ARG  21   8.305  -2.805   4.947
  151   2HD   ARG  21           HD1      ARG  21   7.104  -1.519   5.064
  152    HE   ARG  21           HE       ARG  21   7.555  -2.522   7.683
  153   1HH1  ARG  21          HH21      ARG  21  10.107  -2.054   5.668
  154   2HH1  ARG  21          HH22      ARG  21  10.762  -0.670   6.475
  155   1HH2  ARG  21          HH11      ARG  21   7.994  -0.214   8.511
  156   2HH2  ARG  21          HH12      ARG  21   9.567   0.372   8.085
  157    HA   PRO  22           HA       PRO  22   0.023  -2.512   6.909
  158   1HB   PRO  22           HB2      PRO  22  -0.363  -1.092   9.251
  159   2HB   PRO  22           HB1      PRO  22  -0.382  -2.869   9.140
  160   1HG   PRO  22           HG2      PRO  22   1.787  -1.066  10.157
  161   2HG   PRO  22           HG1      PRO  22   1.360  -2.708  10.669
  162   1HD   PRO  22           HD2      PRO  22   3.514  -2.096   9.008
  163   2HD   PRO  22           HD1      PRO  22   2.724  -3.688   9.082
  164    H    LEU  23           HN       LEU  23  -0.059  -1.012   5.218
  165    HA   LEU  23           HA       LEU  23   0.886   1.754   5.801
  166   1HB   LEU  23           HB2      LEU  23  -0.137   0.730   3.149
  167   2HB   LEU  23           HB1      LEU  23   0.956   2.082   3.452
  168    HG   LEU  23           HG       LEU  23   1.813  -0.633   4.363
  169   1HD1  LEU  23          HD11      LEU  23   1.408   0.227   1.539
  170   2HD1  LEU  23          HD13      LEU  23   2.878  -0.667   1.924
  171   3HD1  LEU  23          HD12      LEU  23   1.299  -1.384   2.250
  172   1HD2  LEU  23          HD21      LEU  23   2.941   1.986   3.942
  173   2HD2  LEU  23          HD23      LEU  23   3.684   0.575   4.695
  174   3HD2  LEU  23          HD22      LEU  23   3.801   0.809   2.950
  175    H    CYS  24           HN       CYS  24  -0.638   3.290   6.315
  176    HA   CYS  24           HA       CYS  24  -3.483   2.533   6.062
  177   1HB   CYS  24           HB2      CYS  24  -2.883   3.655   8.126
  178   2HB   CYS  24           HB1      CYS  24  -2.108   4.952   7.245
  179    H    GLY  25           HN       GLY  25  -4.775   3.260   4.414
  180   1HA   GLY  25           HA2      GLY  25  -3.775   4.591   2.119
  181   2HA   GLY  25           HA1      GLY  25  -5.402   4.503   2.558
  182    H    SER  26           HN       SER  26  -4.990   6.918   1.536
  183    HA   SER  26           HA       SER  26  -4.161   8.686   3.772
  184   1HB   SER  26           HB2      SER  26  -3.348   9.228   1.485
  185   2HB   SER  26           HB1      SER  26  -5.013   9.384   0.939
  186    HG   SER  26           HG       SER  26  -4.047  10.849   3.148
  187    H    ASP  27           HN       ASP  27  -6.437   7.164   4.205
  188    HA   ASP  27           HA       ASP  27  -8.412   9.302   4.653
  189   1HB   ASP  27           HB2      ASP  27 -10.249   7.833   3.727
  190   2HB   ASP  27           HB1      ASP  27  -9.151   8.472   2.502
  191    H    ASN  28           HN       ASN  28  -7.533   5.886   4.970
  192    HA   ASN  28           HA       ASN  28  -7.339   5.393   7.568
  193   1HB   ASN  28           HB2      ASN  28  -9.653   4.958   8.498
  194   2HB   ASN  28           HB1      ASN  28  -9.262   6.659   8.265
  195   1HD2  ASN  28          HD22      ASN  28 -12.596   6.317   6.763
  196   2HD2  ASN  28          HD21      ASN  28 -11.896   6.388   8.308
  197    H    LYS  29           HN       LYS  29  -7.043   4.017   5.051
  198    HA   LYS  29           HA       LYS  29  -8.518   1.496   5.712
  199   1HB   LYS  29           HB2      LYS  29  -7.961   1.073   3.125
  200   2HB   LYS  29           HB1      LYS  29  -9.434   1.891   3.641
  201   1HG   LYS  29           HG2      LYS  29  -8.068   4.071   3.481
  202   2HG   LYS  29           HG1      LYS  29  -6.892   3.114   2.580
  203   1HD   LYS  29           HD2      LYS  29  -9.828   3.231   1.858
  204   2HD   LYS  29           HD1      LYS  29  -8.625   4.313   1.158
  205   1HE   LYS  29           HE2      LYS  29  -7.952   2.717  -0.280
  206   2HE   LYS  29           HE1      LYS  29  -7.683   1.585   1.044
  207   1HZ   LYS  29           HZ2      LYS  29 -10.068   1.101   1.033
  208   2HZ   LYS  29           HZ1      LYS  29 -10.272   2.131  -0.302
  209   3HZ   LYS  29           HZ3      LYS  29  -9.340   0.722  -0.454
  210    H    THR  30           HN       THR  30  -6.884   0.597   6.943
  211    HA   THR  30           HA       THR  30  -4.100   0.635   6.198
  212    HB   THR  30           HB       THR  30  -5.687  -0.993   8.189
  213    HG1  THR  30           HG1      THR  30  -5.291   1.243   8.573
  214   1HG2  THR  30          HG21      THR  30  -2.761  -1.119   7.463
  215   2HG2  THR  30          HG23      THR  30  -3.324  -1.547   9.079
  216   3HG2  THR  30          HG22      THR  30  -3.895  -2.451   7.677
  217    H    TYR  31           HN       TYR  31  -2.810  -1.069   5.452
  218    HA   TYR  31           HA       TYR  31  -4.211  -3.407   4.240
  219   1HB   TYR  31           HB2      TYR  31  -2.280  -1.485   2.943
  220   2HB   TYR  31           HB1      TYR  31  -2.471  -3.130   2.338
  221    HD1  TYR  31           HD1      TYR  31  -4.388  -0.055   3.227
  222    HD2  TYR  31           HD2      TYR  31  -4.316  -3.692   0.947
  223    HE1  TYR  31           HE1      TYR  31  -6.470   0.629   2.073
  224    HE2  TYR  31           HE2      TYR  31  -6.397  -3.005  -0.214
  225    HH   TYR  31           HH       TYR  31  -8.469  -0.977   0.783
  226    H    GLY  32           HN       GLY  32  -3.172  -5.313   4.700
  227   1HA   GLY  32           HA2      GLY  32  -1.420  -5.599   6.761
  228   2HA   GLY  32           HA1      GLY  32  -1.447  -6.758   5.450
  229    H    ASN  33           HN       ASN  33  -0.252  -5.523   3.360
  230    HA   ASN  33           HA       ASN  33   2.213  -4.257   4.425
  231   1HB   ASN  33           HB2      ASN  33   3.603  -5.787   2.966
  232   2HB   ASN  33           HB1      ASN  33   2.885  -6.532   4.371
  233   1HD2  ASN  33          HD22      ASN  33   2.267  -8.682   1.366
  234   2HD2  ASN  33          HD21      ASN  33   3.659  -8.063   2.106
  235    H    LYS  34           HN       LYS  34   3.702  -4.195   2.121
  236    HA   LYS  34           HA       LYS  34   2.555  -2.034   0.714
  237   1HB   LYS  34           HB2      LYS  34   4.516  -2.261  -0.698
  238   2HB   LYS  34           HB1      LYS  34   4.963  -2.446   0.986
  239   1HG   LYS  34           HG2      LYS  34   5.901  -4.393   0.407
  240   2HG   LYS  34           HG1      LYS  34   4.275  -5.026   0.170
  241   1HD   LYS  34           HD2      LYS  34   5.196  -5.435  -1.927
  242   2HD   LYS  34           HD1      LYS  34   4.506  -3.833  -2.185
  243   1HE   LYS  34           HE2      LYS  34   7.318  -4.078  -1.159
  244   2HE   LYS  34           HE1      LYS  34   6.998  -4.296  -2.880
  245   1HZ   LYS  34           HZ2      LYS  34   5.654  -2.115  -2.578
  246   2HZ   LYS  34           HZ1      LYS  34   6.644  -1.903  -1.213
  247   3HZ   LYS  34           HZ3      LYS  34   7.344  -2.048  -2.749
  248    H    CYS  35           HN       CYS  35   2.510  -5.507   0.042
  249    HA   CYS  35           HA       CYS  35   1.719  -5.177  -2.726
  250   1HB   CYS  35           HB2      CYS  35   2.748  -7.266  -1.993
  251   2HB   CYS  35           HB1      CYS  35   1.425  -7.546  -0.859
  252    H    ASN  36           HN       ASN  36  -0.020  -5.521   0.329
  253    HA   ASN  36           HA       ASN  36  -2.612  -5.745  -1.005
  254   1HB   ASN  36           HB2      ASN  36  -1.652  -5.575   1.829
  255   2HB   ASN  36           HB1      ASN  36  -3.339  -5.190   1.489
  256   1HD2  ASN  36          HD22      ASN  36  -2.042  -9.048   1.176
  257   2HD2  ASN  36          HD21      ASN  36  -0.941  -7.790   1.448
  258    H    PHE  37           HN       PHE  37  -0.714  -3.219   0.569
  259    HA   PHE  37           HA       PHE  37  -2.734  -1.164   0.458
  260   1HB   PHE  37           HB2      PHE  37  -0.566  -1.138   1.792
  261   2HB   PHE  37           HB1      PHE  37   0.249  -0.673   0.389
  262    HD1  PHE  37           HD1      PHE  37  -2.797   0.367   2.266
  263    HD2  PHE  37           HD2      PHE  37   0.480   1.396  -0.258
  264    HE1  PHE  37           HE1      PHE  37  -3.555   2.726   2.308
  265    HE2  PHE  37           HE2      PHE  37  -0.209   3.761  -0.250
  266    HZ   PHE  37           HZ       PHE  37  -2.223   4.477   1.030
  267    H    CYS  38           HN       CYS  38  -0.240  -2.294  -1.615
  268    HA   CYS  38           HA       CYS  38  -0.490  -0.093  -3.506
  269   1HB   CYS  38           HB2      CYS  38   1.005  -2.681  -3.444
  270   2HB   CYS  38           HB1      CYS  38   0.728  -1.925  -5.009
  271    H    ASN  39           HN       ASN  39  -1.432  -3.565  -3.684
  272    HA   ASN  39           HA       ASN  39  -2.755  -3.595  -6.121
  273   1HB   ASN  39           HB2      ASN  39  -3.577  -4.850  -3.481
  274   2HB   ASN  39           HB1      ASN  39  -4.436  -5.172  -4.988
  275   1HD2  ASN  39          HD22      ASN  39  -2.017  -7.876  -4.971
  276   2HD2  ASN  39          HD21      ASN  39  -3.540  -7.473  -4.341
  277    H    ALA  40           HN       ALA  40  -3.841  -2.116  -3.100
  278    HA   ALA  40           HA       ALA  40  -6.481  -1.455  -4.103
  279   1HB   ALA  40           HB3      ALA  40  -5.605  -1.534  -1.628
  280   2HB   ALA  40           HB2      ALA  40  -5.082   0.119  -1.951
  281   3HB   ALA  40           HB1      ALA  40  -6.789  -0.305  -2.077
  282    H    VAL  41           HN       VAL  41  -3.408   0.283  -3.759
  283    HA   VAL  41           HA       VAL  41  -4.139   2.814  -4.730
  284    HB   VAL  41           HB       VAL  41  -1.604   1.202  -5.159
  285   1HG1  VAL  41          HG13      VAL  41  -2.422   3.880  -6.131
  286   2HG1  VAL  41          HG12      VAL  41  -0.824   3.791  -5.390
  287   3HG1  VAL  41          HG11      VAL  41  -1.213   2.767  -6.771
  288   1HG2  VAL  41          HG22      VAL  41  -2.695   2.902  -3.007
  289   2HG2  VAL  41          HG21      VAL  41  -1.454   1.650  -2.935
  290   3HG2  VAL  41          HG23      VAL  41  -1.034   3.280  -3.460
  291    H    VAL  42           HN       VAL  42  -2.795   0.119  -6.650
  292    HA   VAL  42           HA       VAL  42  -3.275   1.298  -9.183
  293    HB   VAL  42           HB       VAL  42  -1.662  -0.436  -9.051
  294   1HG1  VAL  42          HG11      VAL  42  -3.803  -1.893  -7.555
  295   2HG1  VAL  42          HG13      VAL  42  -2.527  -2.800  -8.360
  296   3HG1  VAL  42          HG12      VAL  42  -2.119  -1.627  -7.111
  297   1HG2  VAL  42          HG22      VAL  42  -3.863  -0.634 -10.768
  298   2HG2  VAL  42          HG21      VAL  42  -2.284  -1.389 -10.987
  299   3HG2  VAL  42          HG23      VAL  42  -3.584  -2.278 -10.192
  300    H    GLU  43           HN       GLU  43  -5.349  -0.625  -7.060
  301    HA   GLU  43           HA       GLU  43  -7.350  -0.923  -9.224
  302   1HB   GLU  43           HB2      GLU  43  -6.728  -2.548  -7.084
  303   2HB   GLU  43           HB1      GLU  43  -8.148  -1.699  -6.507
  304   1HG   GLU  43           HG2      GLU  43  -8.831  -2.316  -9.113
  305   2HG   GLU  43           HG1      GLU  43  -7.930  -3.740  -8.589
  306    H    SER  44           HN       SER  44  -6.450   1.486  -7.181
  307    HA   SER  44           HA       SER  44  -9.268   2.457  -6.871
  308   1HB   SER  44           HB2      SER  44  -7.738   2.006  -4.787
  309   2HB   SER  44           HB1      SER  44  -6.962   3.517  -5.255
  310    HG   SER  44           HG       SER  44  -9.022   3.367  -3.799
  311    H    ASN  45           HN       ASN  45  -7.282   2.761  -9.150
  312    HA   ASN  45           HA       ASN  45  -6.378   4.466 -10.490
  313   1HB   ASN  45           HB2      ASN  45  -8.009   6.502 -10.571
  314   2HB   ASN  45           HB1      ASN  45  -8.579   4.948 -11.157
  315   1HD2  ASN  45          HD22      ASN  45 -10.401   6.666  -7.991
  316   2HD2  ASN  45          HD21      ASN  45  -9.182   7.458  -8.868
  317    H    GLY  46           HN       GLY  46  -4.986   4.441  -8.195
  318   1HA   GLY  46           HA2      GLY  46  -3.840   5.748  -6.608
  319   2HA   GLY  46           HA1      GLY  46  -3.674   6.842  -7.971
  320    H    THR  47           HN       THR  47  -6.510   5.888  -6.075
  321    HA   THR  47           HA       THR  47  -6.920   8.773  -5.389
  322    HB   THR  47           HB       THR  47  -8.644   7.626  -6.922
  323    HG1  THR  47           HG1      THR  47  -9.059   9.512  -5.669
  324   1HG2  THR  47          HG21      THR  47  -8.526   5.692  -4.899
  325   2HG2  THR  47          HG23      THR  47 -10.079   6.492  -4.667
  326   3HG2  THR  47          HG22      THR  47  -9.691   5.758  -6.223
  327    H    LEU  48           HN       LEU  48  -6.229   5.690  -4.222
  328    HA   LEU  48           HA       LEU  48  -7.484   5.916  -1.608
  329   1HB   LEU  48           HB2      LEU  48  -7.151   3.685  -2.092
  330   2HB   LEU  48           HB1      LEU  48  -5.733   4.015  -3.077
  331    HG   LEU  48           HG       LEU  48  -4.389   4.378  -1.047
  332   1HD1  LEU  48          HD11      LEU  48  -7.069   4.317   0.161
  333   2HD1  LEU  48          HD13      LEU  48  -5.858   3.385   1.041
  334   3HD1  LEU  48          HD12      LEU  48  -5.597   5.102   0.728
  335   1HD2  LEU  48          HD23      LEU  48  -5.336   1.966  -2.017
  336   2HD2  LEU  48          HD22      LEU  48  -4.012   2.150  -0.865
  337   3HD2  LEU  48          HD21      LEU  48  -5.649   1.839  -0.286
  338    H    THR  49           HN       THR  49  -4.134   5.854  -2.679
  339    HA   THR  49           HA       THR  49  -2.194   6.803  -1.875
  340    HB   THR  49           HB       THR  49  -2.916   9.049  -0.510
  341    HG1  THR  49           HG1      THR  49  -4.835   9.698  -1.090
  342   1HG2  THR  49          HG22      THR  49  -1.616   8.497  -2.785
  343   2HG2  THR  49          HG21      THR  49  -3.085   9.191  -3.470
  344   3HG2  THR  49          HG23      THR  49  -2.099  10.137  -2.357
  345    H    LEU  50           HN       LEU  50  -1.219   7.683   0.274
  346    HA   LEU  50           HA       LEU  50  -2.272   6.048   2.510
  347   1HB   LEU  50           HB2      LEU  50  -0.277   5.036   1.786
  348   2HB   LEU  50           HB1      LEU  50   0.442   6.568   1.319
  349    HG   LEU  50           HG       LEU  50   0.304   7.008   3.948
  350   1HD1  LEU  50          HD12      LEU  50  -0.413   4.252   3.592
  351   2HD1  LEU  50          HD11      LEU  50   1.127   4.352   4.448
  352   3HD1  LEU  50          HD13      LEU  50  -0.296   5.171   5.093
  353   1HD2  LEU  50          HD22      LEU  50   2.357   5.270   2.556
  354   2HD2  LEU  50          HD21      LEU  50   2.339   7.034   2.569
  355   3HD2  LEU  50          HD23      LEU  50   2.621   6.143   4.065
  356    H    SER  51           HN       SER  51  -1.709   6.909   4.652
  357    HA   SER  51           HA       SER  51  -1.610   9.883   4.687
  358   1HB   SER  51           HB2      SER  51  -3.504   8.042   5.809
  359   2HB   SER  51           HB1      SER  51  -2.644   8.778   7.106
  360    HG   SER  51           HG       SER  51  -3.660  10.564   6.731
  361    H    HIS  52           HN       HIS  52  -0.249   6.898   5.731
  362    HA   HIS  52           HA       HIS  52   2.164   8.018   6.693
  363   1HB   HIS  52           HB2      HIS  52   1.908   7.688   9.125
  364   2HB   HIS  52           HB1      HIS  52   0.749   8.881   8.533
  365    HD1  HIS  52           HD1      HIS  52   0.689   6.413  10.901
  366    HD2  HIS  52           HD2      HIS  52  -1.660   6.959   7.497
  367    HE1  HIS  52           HE1      HIS  52  -1.441   5.098  11.278
  368    H    PHE  53           HN       PHE  53   3.659   6.349   7.199
  369    HA   PHE  53           HA       PHE  53   2.873   3.692   6.316
  370   1HB   PHE  53           HB2      PHE  53   5.442   4.823   7.441
  371   2HB   PHE  53           HB1      PHE  53   5.253   3.121   7.023
  372    HD1  PHE  53           HD2      PHE  53   4.853   6.558   5.624
  373    HD2  PHE  53           HD1      PHE  53   5.541   2.400   4.799
  374    HE1  PHE  53           HE2      PHE  53   5.270   7.101   3.246
  375    HE2  PHE  53           HE1      PHE  53   5.961   2.942   2.415
  376    HZ   PHE  53           HZ       PHE  53   5.825   5.294   1.638
  377    H    GLY  54           HN       GLY  54   1.776   2.367   7.627
  378   1HA   GLY  54           HA2      GLY  54   2.364   0.984   9.758
  379   2HA   GLY  54           HA1      GLY  54   2.136   2.526  10.546
  380    H    LYS  55           HN       LYS  55   0.361   0.892  11.473
  381    HA   LYS  55           HA       LYS  55  -2.013   0.639   9.896
  382   1HB   LYS  55           HB2      LYS  55  -1.649  -1.014  11.578
  383   2HB   LYS  55           HB1      LYS  55  -1.212   0.212  12.759
  384   1HG   LYS  55           HG2      LYS  55  -3.272   0.609  13.339
  385   2HG   LYS  55           HG1      LYS  55  -3.809   0.682  11.670
  386   1HD   LYS  55           HD2      LYS  55  -4.940  -1.181  12.821
  387   2HD   LYS  55           HD1      LYS  55  -3.844  -1.805  11.587
  388   1HE   LYS  55           HE2      LYS  55  -2.184  -2.373  13.215
  389   2HE   LYS  55           HE1      LYS  55  -3.023  -1.472  14.479
  390   1HZ   LYS  55           HZ2      LYS  55  -4.936  -3.049  14.064
  391   2HZ   LYS  55           HZ1      LYS  55  -3.838  -4.005  13.189
  392   3HZ   LYS  55           HZ3      LYS  55  -3.571  -3.703  14.837
  393    H    CYS  56           HN       CYS  56  -3.796   2.033  10.042
  394    HA   CYS  56           HA       CYS  56  -3.291   4.757  10.872
  395   1HB   CYS  56           HB2      CYS  56  -5.203   3.387   9.261
  396   2HB   CYS  56           HB1      CYS  56  -6.089   4.297  10.485
   
  No H/Q in entry =         396
  Start of MODEL          28
 Raw file had  401 H/Q atoms
  Start of MODEL   28
    1   1H    LEU   1           HT2      LEU   1  10.408  12.766  10.040
    2   2H    LEU   1           HT1      LEU   1  10.113  14.156   9.109
    3   3H    LEU   1           HT3      LEU   1   9.113  13.795  10.429
    4    HA   LEU   1           HA       LEU   1   8.144  11.960   9.356
    5   1HB   LEU   1           HB2      LEU   1   8.526  14.086   7.231
    6   2HB   LEU   1           HB1      LEU   1   7.161  12.983   7.397
    7    HG   LEU   1           HG       LEU   1   7.954  15.163   9.351
    8   1HD1  LEU   1          HD11      LEU   1   6.186  15.047   7.047
    9   2HD1  LEU   1          HD13      LEU   1   5.291  15.438   8.516
   10   3HD1  LEU   1          HD12      LEU   1   6.656  16.441   8.021
   11   1HD2  LEU   1          HD22      LEU   1   6.222  12.777   9.572
   12   2HD2  LEU   1          HD21      LEU   1   6.971  13.742  10.843
   13   3HD2  LEU   1          HD23      LEU   1   5.469  14.284  10.094
   14    H    ALA   2           HN       ALA   2   8.181  11.659   6.461
   15    HA   ALA   2           HA       ALA   2  10.810  11.032   5.507
   16   1HB   ALA   2           HB1      ALA   2   9.274   8.845   6.900
   17   2HB   ALA   2           HB3      ALA   2  10.383   8.464   5.583
   18   3HB   ALA   2           HB2      ALA   2  10.983   9.254   7.040
   19    H    ALA   3           HN       ALA   3  10.332   8.978   3.770
   20    HA   ALA   3           HA       ALA   3   8.864  10.139   1.678
   21   1HB   ALA   3           HB1      ALA   3   9.450   7.221   2.247
   22   2HB   ALA   3           HB3      ALA   3   8.756   7.796   0.731
   23   3HB   ALA   3           HB2      ALA   3  10.372   8.312   1.213
   24    H    VAL   4           HN       VAL   4   6.712  10.047   1.032
   25    HA   VAL   4           HA       VAL   4   4.856   8.520   2.808
   26    HB   VAL   4           HB       VAL   4   3.252  10.530   2.261
   27   1HG1  VAL   4          HG12      VAL   4   4.666   9.791   4.451
   28   2HG1  VAL   4          HG11      VAL   4   5.367  11.383   4.163
   29   3HG1  VAL   4          HG13      VAL   4   3.629  11.218   4.414
   30   1HG2  VAL   4          HG21      VAL   4   5.260  11.424   0.758
   31   2HG2  VAL   4          HG23      VAL   4   4.224  12.544   1.644
   32   3HG2  VAL   4          HG22      VAL   4   5.801  12.101   2.294
   33    H    SER   5           HN       SER   5   5.331   7.062   0.815
   34    HA   SER   5           HA       SER   5   3.050   6.748  -0.746
   35   1HB   SER   5           HB2      SER   5   4.571   8.999  -1.652
   36   2HB   SER   5           HB1      SER   5   4.677   7.733  -2.874
   37    HG   SER   5           HG       SER   5   2.820   8.905  -3.252
   38    H    VAL   6           HN       VAL   6   3.259   4.658  -1.368
   39    HA   VAL   6           HA       VAL   6   5.946   3.471  -1.578
   40    HB   VAL   6           HB       VAL   6   3.247   2.158  -2.000
   41   1HG1  VAL   6          HG11      VAL   6   6.069   1.250  -1.879
   42   2HG1  VAL   6          HG13      VAL   6   4.904   0.262  -0.998
   43   3HG1  VAL   6          HG12      VAL   6   4.694   0.543  -2.726
   44   1HG2  VAL   6          HG22      VAL   6   4.513   3.179   0.407
   45   2HG2  VAL   6          HG21      VAL   6   2.914   2.463   0.213
   46   3HG2  VAL   6          HG23      VAL   6   4.313   1.428   0.498
   47    H    ASP   7           HN       ASP   7   6.542   2.174  -3.495
   48    HA   ASP   7           HA       ASP   7   5.823   3.585  -5.972
   49   1HB   ASP   7           HB2      ASP   7   8.174   2.676  -5.250
   50   2HB   ASP   7           HB1      ASP   7   7.567   1.133  -5.854
   51    H    CYS   8           HN       CYS   8   4.492   2.759  -7.570
   52    HA   CYS   8           HA       CYS   8   3.401   0.013  -7.098
   53   1HB   CYS   8           HB2      CYS   8   2.028   2.572  -7.895
   54   2HB   CYS   8           HB1      CYS   8   1.342   1.010  -8.348
   55    H    SER   9           HN       SER   9   5.684   0.465  -8.694
   56    HA   SER   9           HA       SER   9   4.759   0.536 -11.498
   57   1HB   SER   9           HB2      SER   9   6.976   1.552 -10.540
   58   2HB   SER   9           HB1      SER   9   7.575  -0.100 -10.654
   59    HG   SER   9           HG       SER   9   7.951   1.105 -12.570
   60    H    GLU  10           HN       GLU  10   4.419  -1.722  -9.326
   61    HA   GLU  10           HA       GLU  10   4.871  -3.915 -11.275
   62   1HB   GLU  10           HB2      GLU  10   5.720  -4.120  -8.370
   63   2HB   GLU  10           HB1      GLU  10   5.922  -5.346  -9.622
   64   1HG   GLU  10           HG2      GLU  10   8.010  -4.413  -9.771
   65   2HG   GLU  10           HG1      GLU  10   7.167  -3.282 -10.832
   66    H    TYR  11           HN       TYR  11   2.537  -2.429 -10.197
   67    HA   TYR  11           HA       TYR  11   1.090  -4.736  -9.015
   68   1HB   TYR  11           HB2      TYR  11   0.970  -1.790  -8.330
   69   2HB   TYR  11           HB1      TYR  11  -0.301  -2.910  -7.851
   70    HD1  TYR  11           HD1      TYR  11   0.222  -4.819  -6.301
   71    HD2  TYR  11           HD2      TYR  11   3.137  -1.830  -7.299
   72    HE1  TYR  11           HE1      TYR  11   1.640  -5.553  -4.386
   73    HE2  TYR  11           HE2      TYR  11   4.547  -2.564  -5.402
   74    HH   TYR  11           HH       TYR  11   4.223  -3.733  -3.218
   75    HA   PRO  12           HA       PRO  12  -1.015  -4.526  -8.260
   76   1HB   PRO  12           HB2      PRO  12  -3.177  -6.113  -8.883
   77   2HB   PRO  12           HB1      PRO  12  -3.307  -4.386  -8.510
   78   1HG   PRO  12           HG2      PRO  12  -3.597  -5.748 -11.126
   79   2HG   PRO  12           HG1      PRO  12  -4.155  -4.140 -10.635
   80   1HD   PRO  12           HD2      PRO  12  -1.816  -4.785 -12.156
   81   2HD   PRO  12           HD1      PRO  12  -2.343  -3.193 -11.701
   82    H    LYS  13           HN       LYS  13  -0.855  -6.738  -7.359
   83    HA   LYS  13           HA       LYS  13   0.285  -8.692  -9.316
   84   1HB   LYS  13           HB2      LYS  13   1.264  -8.972  -6.565
   85   2HB   LYS  13           HB1      LYS  13   2.166  -8.930  -8.079
   86   1HG   LYS  13           HG2      LYS  13   1.619  -6.373  -8.042
   87   2HG   LYS  13           HG1      LYS  13   1.318  -6.641  -6.325
   88   1HD   LYS  13           HD2      LYS  13   3.882  -7.233  -7.827
   89   2HD   LYS  13           HD1      LYS  13   3.639  -5.989  -6.600
   90   1HE   LYS  13           HE2      LYS  13   3.083  -7.790  -4.954
   91   2HE   LYS  13           HE1      LYS  13   3.486  -8.988  -6.184
   92   1HZ   LYS  13           HZ3      LYS  13   5.654  -7.468  -6.273
   93   2HZ   LYS  13           HZ2      LYS  13   5.230  -7.249  -4.641
   94   3HZ   LYS  13           HZ1      LYS  13   5.510  -8.812  -5.247
   95    HA   PRO  14           HA       PRO  14  -2.743 -11.409  -7.628
   96   1HB   PRO  14           HB2      PRO  14  -1.700 -13.759  -8.595
   97   2HB   PRO  14           HB1      PRO  14  -2.566 -12.584  -9.601
   98   1HG   PRO  14           HG2      PRO  14   0.363 -13.135  -9.452
   99   2HG   PRO  14           HG1      PRO  14  -0.594 -12.515 -10.808
  100   1HD   PRO  14           HD2      PRO  14   1.049 -10.976  -9.132
  101   2HD   PRO  14           HD1      PRO  14  -0.189 -10.340 -10.200
  102    H    ALA  15           HN       ALA  15   0.050 -10.911  -6.188
  103    HA   ALA  15           HA       ALA  15  -0.456 -12.874  -4.076
  104   1HB   ALA  15           HB1      ALA  15   1.008 -14.121  -5.647
  105   2HB   ALA  15           HB3      ALA  15   2.214 -12.841  -5.517
  106   3HB   ALA  15           HB2      ALA  15   1.809 -13.818  -4.106
  107    H    CYS  16           HN       CYS  16   0.696 -12.328  -2.112
  108    HA   CYS  16           HA       CYS  16   1.851  -9.569  -2.153
  109   1HB   CYS  16           HB2      CYS  16  -0.398 -10.569  -0.711
  110   2HB   CYS  16           HB1      CYS  16   0.886 -10.253   0.457
  111    H    THR  17           HN       THR  17   3.794  -9.290  -1.075
  112    HA   THR  17           HA       THR  17   5.463 -11.537  -0.578
  113    HB   THR  17           HB       THR  17   7.035  -9.949   0.378
  114    HG1  THR  17           HG1      THR  17   5.819  -8.751   1.731
  115   1HG2  THR  17          HG23      THR  17   6.071  -9.814  -2.144
  116   2HG2  THR  17          HG22      THR  17   5.708  -8.177  -1.599
  117   3HG2  THR  17          HG21      THR  17   7.367  -8.773  -1.555
  118    H    LEU  18           HN       LEU  18   6.550 -10.698   2.048
  119    HA   LEU  18           HA       LEU  18   4.314 -11.641   3.790
  120   1HB   LEU  18           HB2      LEU  18   7.229 -12.483   3.880
  121   2HB   LEU  18           HB1      LEU  18   6.023 -12.922   5.091
  122    HG   LEU  18           HG       LEU  18   5.046 -13.481   2.417
  123   1HD1  LEU  18          HD12      LEU  18   7.450 -13.758   1.906
  124   2HD1  LEU  18          HD11      LEU  18   7.611 -14.860   3.272
  125   3HD1  LEU  18          HD13      LEU  18   6.613 -15.311   1.890
  126   1HD2  LEU  18          HD23      LEU  18   4.710 -14.426   4.981
  127   2HD2  LEU  18          HD22      LEU  18   4.132 -15.242   3.529
  128   3HD2  LEU  18          HD21      LEU  18   5.676 -15.705   4.246
  129    H    GLU  19           HN       GLU  19   7.188  -9.622   3.469
  130    HA   GLU  19           HA       GLU  19   7.663  -8.749   6.056
  131   1HB   GLU  19           HB2      GLU  19   7.490  -7.140   3.494
  132   2HB   GLU  19           HB1      GLU  19   8.034  -6.437   5.017
  133   1HG   GLU  19           HG2      GLU  19  10.088  -7.291   4.682
  134   2HG   GLU  19           HG1      GLU  19   9.404  -8.915   4.656
  135    H    TYR  20           HN       TYR  20   6.519  -7.560   7.589
  136    HA   TYR  20           HA       TYR  20   3.709  -6.960   6.869
  137   1HB   TYR  20           HB2      TYR  20   4.214  -8.348   8.897
  138   2HB   TYR  20           HB1      TYR  20   4.985  -6.934   9.614
  139    HD1  TYR  20           HD2      TYR  20   1.943  -6.984   7.448
  140    HD2  TYR  20           HD1      TYR  20   3.509  -6.430  11.412
  141    HE1  TYR  20           HE2      TYR  20  -0.263  -6.151   8.200
  142    HE2  TYR  20           HE1      TYR  20   1.296  -5.600  12.166
  143    HH   TYR  20           HH       TYR  20  -1.326  -6.097  11.053
  144    H    ARG  21           HN       ARG  21   3.994  -4.998   5.752
  145    HA   ARG  21           HA       ARG  21   4.831  -2.701   7.478
  146   1HB   ARG  21           HB2      ARG  21   4.828  -2.617   4.460
  147   2HB   ARG  21           HB1      ARG  21   5.711  -1.587   5.589
  148   1HG   ARG  21           HG2      ARG  21   6.558  -4.206   6.161
  149   2HG   ARG  21           HG1      ARG  21   6.524  -4.104   4.401
  150   1HD   ARG  21           HD2      ARG  21   8.141  -2.450   4.327
  151   2HD   ARG  21           HD1      ARG  21   7.714  -1.816   5.917
  152    HE   ARG  21           HE       ARG  21   8.777  -4.447   6.234
  153   1HH1  ARG  21          HH11      ARG  21   9.536  -1.689   7.499
  154   2HH1  ARG  21          HH12      ARG  21  11.222  -1.640   7.100
  155   1HH2  ARG  21          HH21      ARG  21  11.018  -4.210   4.779
  156   2HH2  ARG  21          HH22      ARG  21  12.061  -3.069   5.560
  157    HA   PRO  22           HA       PRO  22   0.339  -2.440   6.733
  158   1HB   PRO  22           HB2      PRO  22  -0.120  -1.062   9.092
  159   2HB   PRO  22           HB1      PRO  22  -0.106  -2.837   8.950
  160   1HG   PRO  22           HG2      PRO  22   2.003  -1.007  10.037
  161   2HG   PRO  22           HG1      PRO  22   1.608  -2.669  10.510
  162   1HD   PRO  22           HD2      PRO  22   3.776  -1.979   8.906
  163   2HD   PRO  22           HD1      PRO  22   3.017  -3.586   8.924
  164    H    LEU  23           HN       LEU  23  -0.023  -0.869   5.161
  165    HA   LEU  23           HA       LEU  23   0.876   1.896   5.875
  166   1HB   LEU  23           HB2      LEU  23  -0.103   1.127   3.148
  167   2HB   LEU  23           HB1      LEU  23   1.073   2.359   3.603
  168    HG   LEU  23           HG       LEU  23   1.724  -0.503   4.185
  169   1HD1  LEU  23          HD11      LEU  23   1.314   0.689   1.529
  170   2HD1  LEU  23          HD13      LEU  23   2.862  -0.125   1.750
  171   3HD1  LEU  23          HD12      LEU  23   1.354  -1.004   2.016
  172   1HD2  LEU  23          HD22      LEU  23   3.013   1.969   4.393
  173   2HD2  LEU  23          HD21      LEU  23   3.760   0.378   4.547
  174   3HD2  LEU  23          HD23      LEU  23   3.742   1.196   2.985
  175    H    CYS  24           HN       CYS  24  -0.746   3.212   6.598
  176    HA   CYS  24           HA       CYS  24  -3.521   2.351   6.215
  177   1HB   CYS  24           HB2      CYS  24  -2.736   3.617   8.291
  178   2HB   CYS  24           HB1      CYS  24  -2.599   5.020   7.289
  179    H    GLY  25           HN       GLY  25  -4.860   3.082   4.544
  180   1HA   GLY  25           HA2      GLY  25  -3.645   4.416   2.359
  181   2HA   GLY  25           HA1      GLY  25  -5.308   4.158   2.505
  182    H    SER  26           HN       SER  26  -5.346   6.493   1.556
  183    HA   SER  26           HA       SER  26  -4.770   8.506   3.667
  184   1HB   SER  26           HB2      SER  26  -4.361   8.818   1.117
  185   2HB   SER  26           HB1      SER  26  -6.100   9.079   1.013
  186    HG   SER  26           HG       SER  26  -5.683  11.026   1.663
  187    H    ASP  27           HN       ASP  27  -7.170   6.353   3.174
  188    HA   ASP  27           HA       ASP  27  -9.346   8.255   3.928
  189   1HB   ASP  27           HB2      ASP  27 -10.917   6.636   3.129
  190   2HB   ASP  27           HB1      ASP  27  -9.647   6.723   1.908
  191    H    ASN  28           HN       ASN  28  -7.120   6.376   5.379
  192    HA   ASN  28           HA       ASN  28  -6.981   5.858   7.678
  193   1HB   ASN  28           HB2      ASN  28  -9.076   7.327   7.951
  194   2HB   ASN  28           HB1      ASN  28  -9.996   5.829   7.827
  195   1HD2  ASN  28          HD22      ASN  28  -8.186   6.744  11.304
  196   2HD2  ASN  28          HD21      ASN  28  -8.261   7.831  10.002
  197    H    LYS  29           HN       LYS  29  -7.365   4.032   5.332
  198    HA   LYS  29           HA       LYS  29  -8.576   1.677   6.707
  199   1HB   LYS  29           HB2      LYS  29  -9.070   2.336   4.229
  200   2HB   LYS  29           HB1      LYS  29  -7.466   1.681   3.900
  201   1HG   LYS  29           HG2      LYS  29  -8.137  -0.468   4.235
  202   2HG   LYS  29           HG1      LYS  29  -9.167  -0.032   5.600
  203   1HD   LYS  29           HD2      LYS  29 -10.009   0.871   2.880
  204   2HD   LYS  29           HD1      LYS  29 -10.213  -0.834   3.281
  205   1HE   LYS  29           HE2      LYS  29 -12.086  -0.298   4.405
  206   2HE   LYS  29           HE1      LYS  29 -11.095   0.616   5.542
  207   1HZ   LYS  29           HZ1      LYS  29 -12.071   1.716   2.967
  208   2HZ   LYS  29           HZ3      LYS  29 -12.888   1.919   4.440
  209   3HZ   LYS  29           HZ2      LYS  29 -11.330   2.565   4.238
  210    H    THR  30           HN       THR  30  -7.184  -0.378   6.642
  211    HA   THR  30           HA       THR  30  -4.286   0.390   6.692
  212    HB   THR  30           HB       THR  30  -5.767  -1.508   8.535
  213    HG1  THR  30           HG1      THR  30  -5.927   0.500   9.323
  214   1HG2  THR  30          HG23      THR  30  -3.478  -2.311   7.745
  215   2HG2  THR  30          HG22      THR  30  -2.804  -0.887   8.535
  216   3HG2  THR  30          HG21      THR  30  -3.650  -2.106   9.489
  217    H    TYR  31           HN       TYR  31  -3.016  -0.815   5.378
  218    HA   TYR  31           HA       TYR  31  -4.173  -3.326   4.254
  219   1HB   TYR  31           HB2      TYR  31  -2.271  -1.264   3.171
  220   2HB   TYR  31           HB1      TYR  31  -2.233  -2.911   2.534
  221    HD1  TYR  31           HD1      TYR  31  -4.394   0.057   3.082
  222    HD2  TYR  31           HD2      TYR  31  -4.004  -3.760   1.150
  223    HE1  TYR  31           HE1      TYR  31  -6.437   0.521   1.755
  224    HE2  TYR  31           HE2      TYR  31  -6.046  -3.294  -0.181
  225    HH   TYR  31           HH       TYR  31  -8.003  -1.919  -0.115
  226    H    GLY  32           HN       GLY  32  -3.260  -5.193   4.876
  227   1HA   GLY  32           HA2      GLY  32  -1.612  -5.643   6.953
  228   2HA   GLY  32           HA1      GLY  32  -1.554  -6.701   5.553
  229    H    ASN  33           HN       ASN  33  -0.232  -5.464   3.645
  230    HA   ASN  33           HA       ASN  33   2.140  -4.180   4.876
  231   1HB   ASN  33           HB2      ASN  33   3.673  -5.665   3.623
  232   2HB   ASN  33           HB1      ASN  33   2.699  -6.545   4.772
  233   1HD2  ASN  33          HD22      ASN  33   2.396  -8.588   1.774
  234   2HD2  ASN  33          HD21      ASN  33   3.494  -8.289   3.030
  235    H    LYS  34           HN       LYS  34   3.730  -4.167   2.621
  236    HA   LYS  34           HA       LYS  34   2.741  -1.909   1.259
  237   1HB   LYS  34           HB2      LYS  34   4.653  -2.676  -0.393
  238   2HB   LYS  34           HB1      LYS  34   5.035  -2.004   1.175
  239   1HG   LYS  34           HG2      LYS  34   5.683  -4.044   2.039
  240   2HG   LYS  34           HG1      LYS  34   4.603  -4.960   0.989
  241   1HD   LYS  34           HD2      LYS  34   7.143  -3.551   0.111
  242   2HD   LYS  34           HD1      LYS  34   6.961  -5.289   0.338
  243   1HE   LYS  34           HE2      LYS  34   6.043  -5.526  -1.703
  244   2HE   LYS  34           HE1      LYS  34   4.861  -4.259  -1.375
  245   1HZ   LYS  34           HZ3      LYS  34   7.478  -3.196  -1.755
  246   2HZ   LYS  34           HZ2      LYS  34   6.980  -4.103  -3.103
  247   3HZ   LYS  34           HZ1      LYS  34   6.033  -2.805  -2.550
  248    H    CYS  35           HN       CYS  35   3.457  -5.022  -0.405
  249    HA   CYS  35           HA       CYS  35   2.152  -4.561  -2.739
  250   1HB   CYS  35           HB2      CYS  35   1.685  -7.010  -2.789
  251   2HB   CYS  35           HB1      CYS  35   3.333  -6.629  -2.314
  252    H    ASN  36           HN       ASN  36   0.567  -5.594   0.293
  253    HA   ASN  36           HA       ASN  36  -2.057  -5.831  -0.762
  254   1HB   ASN  36           HB2      ASN  36  -0.833  -5.522   1.889
  255   2HB   ASN  36           HB1      ASN  36  -2.466  -4.868   1.778
  256   1HD2  ASN  36          HD22      ASN  36  -1.911  -8.862   1.815
  257   2HD2  ASN  36          HD21      ASN  36  -0.636  -7.762   2.015
  258    H    PHE  37           HN       PHE  37  -0.407  -3.010   0.675
  259    HA   PHE  37           HA       PHE  37  -2.576  -1.179   0.484
  260   1HB   PHE  37           HB2      PHE  37  -0.461  -0.773   1.721
  261   2HB   PHE  37           HB1      PHE  37   0.357  -0.513   0.307
  262    HD1  PHE  37           HD1      PHE  37  -3.003   0.593   1.392
  263    HD2  PHE  37           HD2      PHE  37   0.872   1.605  -0.061
  264    HE1  PHE  37           HE1      PHE  37  -3.739   2.961   1.150
  265    HE2  PHE  37           HE2      PHE  37   0.177   3.976  -0.325
  266    HZ   PHE  37           HZ       PHE  37  -2.132   4.675   0.292
  267    H    CYS  38           HN       CYS  38   0.123  -1.683  -1.713
  268    HA   CYS  38           HA       CYS  38  -0.750   0.298  -3.595
  269   1HB   CYS  38           HB2      CYS  38   1.567  -0.426  -3.662
  270   2HB   CYS  38           HB1      CYS  38   1.085  -2.080  -4.047
  271    H    ASN  39           HN       ASN  39  -1.594  -3.088  -3.169
  272    HA   ASN  39           HA       ASN  39  -2.724  -3.531  -5.772
  273   1HB   ASN  39           HB2      ASN  39  -3.497  -4.678  -3.062
  274   2HB   ASN  39           HB1      ASN  39  -4.114  -5.271  -4.605
  275   1HD2  ASN  39          HD22      ASN  39  -1.312  -7.507  -4.154
  276   2HD2  ASN  39          HD21      ASN  39  -2.958  -7.342  -3.777
  277    H    ALA  40           HN       ALA  40  -3.639  -1.571  -3.125
  278    HA   ALA  40           HA       ALA  40  -6.458  -1.364  -3.959
  279   1HB   ALA  40           HB2      ALA  40  -4.805  -0.068  -1.775
  280   2HB   ALA  40           HB1      ALA  40  -6.474   0.401  -2.104
  281   3HB   ALA  40           HB3      ALA  40  -6.104  -1.244  -1.590
  282    H    VAL  41           HN       VAL  41  -3.520   0.625  -3.815
  283    HA   VAL  41           HA       VAL  41  -4.559   2.996  -4.982
  284    HB   VAL  41           HB       VAL  41  -1.800   1.786  -5.352
  285   1HG1  VAL  41          HG12      VAL  41  -2.918   3.987  -6.580
  286   2HG1  VAL  41          HG11      VAL  41  -2.101   4.699  -5.188
  287   3HG1  VAL  41          HG13      VAL  41  -1.190   3.723  -6.342
  288   1HG2  VAL  41          HG21      VAL  41  -2.764   2.145  -2.948
  289   2HG2  VAL  41          HG23      VAL  41  -1.156   2.769  -3.319
  290   3HG2  VAL  41          HG22      VAL  41  -2.542   3.860  -3.296
  291    H    VAL  42           HN       VAL  42  -3.565  -0.049  -6.367
  292    HA   VAL  42           HA       VAL  42  -3.647   0.907  -9.129
  293    HB   VAL  42           HB       VAL  42  -3.263  -1.492  -9.681
  294   1HG1  VAL  42          HG13      VAL  42  -1.429   0.158  -8.782
  295   2HG1  VAL  42          HG12      VAL  42  -1.457  -0.887  -7.362
  296   3HG1  VAL  42          HG11      VAL  42  -1.052  -1.557  -8.942
  297   1HG2  VAL  42          HG21      VAL  42  -3.956  -1.762  -6.800
  298   2HG2  VAL  42          HG23      VAL  42  -4.368  -2.810  -8.153
  299   3HG2  VAL  42          HG22      VAL  42  -2.747  -2.854  -7.464
  300    H    GLU  43           HN       GLU  43  -5.717  -1.025  -6.966
  301    HA   GLU  43           HA       GLU  43  -7.721  -1.306  -9.112
  302   1HB   GLU  43           HB2      GLU  43  -7.002  -3.023  -7.177
  303   2HB   GLU  43           HB1      GLU  43  -8.286  -2.187  -6.328
  304   1HG   GLU  43           HG2      GLU  43  -9.629  -3.678  -7.388
  305   2HG   GLU  43           HG1      GLU  43  -9.458  -2.564  -8.746
  306    H    SER  44           HN       SER  44  -6.976   1.310  -7.652
  307    HA   SER  44           HA       SER  44  -9.810   2.052  -7.070
  308   1HB   SER  44           HB2      SER  44  -9.137   3.340  -5.118
  309   2HB   SER  44           HB1      SER  44  -8.594   1.676  -4.921
  310    HG   SER  44           HG       SER  44  -6.810   2.814  -4.491
  311    H    ASN  45           HN       ASN  45  -7.404   2.554  -9.120
  312    HA   ASN  45           HA       ASN  45  -6.932   4.307 -10.605
  313   1HB   ASN  45           HB2      ASN  45  -9.504   5.104  -9.377
  314   2HB   ASN  45           HB1      ASN  45  -8.533   6.436  -9.991
  315   1HD2  ASN  45          HD22      ASN  45 -10.653   4.905 -12.750
  316   2HD2  ASN  45          HD21      ASN  45 -11.045   5.428 -11.184
  317    H    GLY  46           HN       GLY  46  -6.271   4.254  -7.450
  318   1HA   GLY  46           HA2      GLY  46  -4.480   5.384  -6.369
  319   2HA   GLY  46           HA1      GLY  46  -4.503   6.602  -7.642
  320    H    THR  47           HN       THR  47  -7.614   5.956  -6.460
  321    HA   THR  47           HA       THR  47  -7.754   8.591  -5.191
  322    HB   THR  47           HB       THR  47 -10.122   8.138  -4.960
  323    HG1  THR  47           HG1      THR  47 -10.930   6.135  -5.075
  324   1HG2  THR  47          HG23      THR  47  -8.787   7.297  -7.505
  325   2HG2  THR  47          HG22      THR  47 -10.537   7.131  -7.366
  326   3HG2  THR  47          HG21      THR  47  -9.783   8.715  -7.181
  327    H    LEU  48           HN       LEU  48  -6.744   5.587  -4.192
  328    HA   LEU  48           HA       LEU  48  -7.824   5.607  -1.488
  329   1HB   LEU  48           HB2      LEU  48  -7.318   3.428  -2.019
  330   2HB   LEU  48           HB1      LEU  48  -6.068   3.903  -3.161
  331    HG   LEU  48           HG       LEU  48  -4.533   4.377  -1.285
  332   1HD1  LEU  48          HD12      LEU  48  -7.030   3.913   0.228
  333   2HD1  LEU  48          HD11      LEU  48  -5.578   3.198   0.926
  334   3HD1  LEU  48          HD13      LEU  48  -5.648   4.932   0.620
  335   1HD2  LEU  48          HD22      LEU  48  -5.266   1.917  -2.264
  336   2HD2  LEU  48          HD21      LEU  48  -3.905   2.189  -1.176
  337   3HD2  LEU  48          HD23      LEU  48  -5.464   1.680  -0.528
  338    H    THR  49           HN       THR  49  -4.622   6.045  -2.873
  339    HA   THR  49           HA       THR  49  -2.740   7.200  -2.193
  340    HB   THR  49           HB       THR  49  -3.673   9.190  -0.532
  341    HG1  THR  49           HG1      THR  49  -5.631   8.739  -2.509
  342   1HG2  THR  49          HG21      THR  49  -2.700   8.868  -3.185
  343   2HG2  THR  49          HG23      THR  49  -4.049  10.003  -3.236
  344   3HG2  THR  49          HG22      THR  49  -2.668  10.321  -2.185
  345    H    LEU  50           HN       LEU  50  -1.631   8.004  -0.031
  346    HA   LEU  50           HA       LEU  50  -2.397   6.073   2.057
  347   1HB   LEU  50           HB2      LEU  50  -0.380   5.308   1.156
  348   2HB   LEU  50           HB1      LEU  50   0.214   6.936   0.854
  349    HG   LEU  50           HG       LEU  50   0.214   7.142   3.461
  350   1HD1  LEU  50          HD11      LEU  50  -0.781   4.538   3.093
  351   2HD1  LEU  50          HD13      LEU  50   0.877   4.337   3.654
  352   3HD1  LEU  50          HD12      LEU  50  -0.272   5.269   4.613
  353   1HD2  LEU  50          HD23      LEU  50   2.185   7.095   1.942
  354   2HD2  LEU  50          HD22      LEU  50   2.492   6.279   3.476
  355   3HD2  LEU  50          HD21      LEU  50   2.168   5.334   2.022
  356    H    SER  51           HN       SER  51  -1.734   6.736   4.263
  357    HA   SER  51           HA       SER  51  -2.098   9.624   4.713
  358   1HB   SER  51           HB2      SER  51  -2.977   8.830   6.808
  359   2HB   SER  51           HB1      SER  51  -3.776   7.941   5.607
  360    HG   SER  51           HG       SER  51  -2.774   6.868   7.525
  361    H    HIS  52           HN       HIS  52  -0.504   6.700   5.731
  362    HA   HIS  52           HA       HIS  52   2.082   7.923   6.229
  363   1HB   HIS  52           HB2      HIS  52   2.114   7.609   8.668
  364   2HB   HIS  52           HB1      HIS  52   0.784   8.692   8.239
  365    HD1  HIS  52           HD1      HIS  52   0.605   6.968  10.840
  366    HD2  HIS  52           HD2      HIS  52  -0.957   5.819   7.151
  367    HE1  HIS  52           HE1      HIS  52  -1.194   5.235  11.302
  368    H    PHE  53           HN       PHE  53   3.669   6.239   6.784
  369    HA   PHE  53           HA       PHE  53   2.798   3.571   5.947
  370   1HB   PHE  53           HB2      PHE  53   5.462   4.700   6.810
  371   2HB   PHE  53           HB1      PHE  53   5.211   2.985   6.479
  372    HD1  PHE  53           HD2      PHE  53   4.296   6.268   4.924
  373    HD2  PHE  53           HD1      PHE  53   5.751   2.272   4.326
  374    HE1  PHE  53           HE2      PHE  53   4.516   6.713   2.504
  375    HE2  PHE  53           HE1      PHE  53   5.977   2.719   1.896
  376    HZ   PHE  53           HZ       PHE  53   5.360   4.941   0.982
  377    H    GLY  54           HN       GLY  54   1.637   2.514   7.450
  378   1HA   GLY  54           HA2      GLY  54   2.525   1.146   9.595
  379   2HA   GLY  54           HA1      GLY  54   2.221   2.712  10.294
  380    H    LYS  55           HN       LYS  55   0.646   1.076  11.418
  381    HA   LYS  55           HA       LYS  55  -1.827   0.601   9.926
  382   1HB   LYS  55           HB2      LYS  55  -2.345   0.371  12.717
  383   2HB   LYS  55           HB1      LYS  55  -2.168  -0.925  11.542
  384   1HG   LYS  55           HG2      LYS  55   0.337  -0.763  11.888
  385   2HG   LYS  55           HG1      LYS  55   0.004   0.324  13.236
  386   1HD   LYS  55           HD2      LYS  55   0.228  -1.901  14.144
  387   2HD   LYS  55           HD1      LYS  55  -1.482  -1.471  14.207
  388   1HE   LYS  55           HE2      LYS  55  -1.160  -2.604  11.676
  389   2HE   LYS  55           HE1      LYS  55  -0.175  -3.618  12.732
  390   1HZ   LYS  55           HZ2      LYS  55  -2.218  -3.527  14.267
  391   2HZ   LYS  55           HZ1      LYS  55  -3.064  -3.061  12.869
  392   3HZ   LYS  55           HZ3      LYS  55  -2.260  -4.554  12.913
  393    H    CYS  56           HN       CYS  56  -3.663   1.856  10.002
  394    HA   CYS  56           HA       CYS  56  -3.576   4.590  10.397
  395   1HB   CYS  56           HB2      CYS  56  -6.025   2.981  11.148
  396   2HB   CYS  56           HB1      CYS  56  -5.963   4.605  10.464
   
  No H/Q in entry =         396
  Start of MODEL          29
 Raw file had  401 H/Q atoms
  Start of MODEL   29
    1   1H    LEU   1           HT3      LEU   1   2.454  16.731   6.409
    2   2H    LEU   1           HT2      LEU   1   1.595  15.447   5.702
    3   3H    LEU   1           HT1      LEU   1   2.257  15.276   7.257
    4    HA   LEU   1           HA       LEU   1   4.481  15.375   6.394
    5   1HB   LEU   1           HB2      LEU   1   2.563  13.336   5.828
    6   2HB   LEU   1           HB1      LEU   1   3.652  13.454   4.445
    7    HG   LEU   1           HG       LEU   1   4.592  11.889   6.056
    8   1HD1  LEU   1          HD13      LEU   1   5.988  13.796   4.867
    9   2HD1  LEU   1          HD12      LEU   1   6.211  14.369   6.519
   10   3HD1  LEU   1          HD11      LEU   1   6.750  12.752   6.067
   11   1HD2  LEU   1          HD22      LEU   1   3.326  13.128   7.989
   12   2HD2  LEU   1          HD21      LEU   1   4.875  12.358   8.337
   13   3HD2  LEU   1          HD23      LEU   1   4.794  14.103   8.087
   14    H    ALA   2           HN       ALA   2   5.751  16.400   4.930
   15    HA   ALA   2           HA       ALA   2   4.866  18.075   2.901
   16   1HB   ALA   2           HB3      ALA   2   7.283  17.588   3.853
   17   2HB   ALA   2           HB2      ALA   2   7.396  16.529   2.449
   18   3HB   ALA   2           HB1      ALA   2   7.087  18.252   2.232
   19    H    ALA   3           HN       ALA   3   5.550  14.598   2.674
   20    HA   ALA   3           HA       ALA   3   3.912  14.495   0.219
   21   1HB   ALA   3           HB1      ALA   3   6.841  14.268   0.244
   22   2HB   ALA   3           HB3      ALA   3   6.039  12.898  -0.524
   23   3HB   ALA   3           HB2      ALA   3   5.747  14.534  -1.112
   24    H    VAL   4           HN       VAL   4   2.555  12.805   0.537
   25    HA   VAL   4           HA       VAL   4   3.626  10.404   1.957
   26    HB   VAL   4           HB       VAL   4   0.953  10.332   2.562
   27   1HG1  VAL   4          HG12      VAL   4   3.413  10.566   3.893
   28   2HG1  VAL   4          HG11      VAL   4   2.407  11.849   4.563
   29   3HG1  VAL   4          HG13      VAL   4   1.853  10.177   4.619
   30   1HG2  VAL   4          HG22      VAL   4   0.733  12.663   1.606
   31   2HG2  VAL   4          HG21      VAL   4   0.255  12.530   3.298
   32   3HG2  VAL   4          HG23      VAL   4   1.821  13.224   2.875
   33    H    SER   5           HN       SER   5   3.859   9.123   0.118
   34    HA   SER   5           HA       SER   5   1.493   7.901  -0.965
   35   1HB   SER   5           HB2      SER   5   1.917  10.305  -2.152
   36   2HB   SER   5           HB1      SER   5   2.909   9.275  -3.180
   37    HG   SER   5           HG       SER   5   0.144   9.090  -2.594
   38    H    VAL   6           HN       VAL   6   2.038   5.971  -2.000
   39    HA   VAL   6           HA       VAL   6   4.965   5.418  -2.174
   40    HB   VAL   6           HB       VAL   6   3.257   4.059  -0.684
   41   1HG1  VAL   6          HG13      VAL   6   2.044   3.636  -3.099
   42   2HG1  VAL   6          HG12      VAL   6   3.059   2.200  -2.972
   43   3HG1  VAL   6          HG11      VAL   6   1.882   2.562  -1.709
   44   1HG2  VAL   6          HG22      VAL   6   5.661   3.333  -2.198
   45   2HG2  VAL   6          HG21      VAL   6   5.275   3.048  -0.501
   46   3HG2  VAL   6          HG23      VAL   6   4.688   1.935  -1.736
   47    H    ASP   7           HN       ASP   7   4.772   3.101  -3.823
   48    HA   ASP   7           HA       ASP   7   3.688   4.227  -6.371
   49   1HB   ASP   7           HB2      ASP   7   6.206   4.432  -6.169
   50   2HB   ASP   7           HB1      ASP   7   6.275   2.669  -6.137
   51    H    CYS   8           HN       CYS   8   2.766   2.679  -7.781
   52    HA   CYS   8           HA       CYS   8   2.937  -0.180  -7.064
   53   1HB   CYS   8           HB2      CYS   8   0.235   1.176  -7.218
   54   2HB   CYS   8           HB1      CYS   8   0.581  -0.477  -6.715
   55    H    SER   9           HN       SER   9   3.999   0.670  -9.337
   56    HA   SER   9           HA       SER   9   1.974   0.685 -11.490
   57   1HB   SER   9           HB2      SER   9   4.661   1.632 -11.191
   58   2HB   SER   9           HB1      SER   9   4.619   0.495 -12.536
   59    HG   SER   9           HG       SER   9   3.706   3.003 -12.422
   60    H    GLU  10           HN       GLU  10   2.728  -1.747  -9.724
   61    HA   GLU  10           HA       GLU  10   2.922  -3.646 -12.008
   62   1HB   GLU  10           HB2      GLU  10   4.533  -3.988  -9.463
   63   2HB   GLU  10           HB1      GLU  10   4.620  -4.970 -10.928
   64   1HG   GLU  10           HG2      GLU  10   6.381  -3.601 -11.419
   65   2HG   GLU  10           HG1      GLU  10   5.109  -2.512 -11.971
   66    H    TYR  11           HN       TYR  11   0.825  -2.684 -10.066
   67    HA   TYR  11           HA       TYR  11   0.175  -5.258  -8.743
   68   1HB   TYR  11           HB2      TYR  11  -0.585  -2.385  -8.152
   69   2HB   TYR  11           HB1      TYR  11  -1.283  -3.754  -7.299
   70    HD1  TYR  11           HD1      TYR  11   0.176  -5.237  -5.893
   71    HD2  TYR  11           HD2      TYR  11   1.665  -1.664  -7.752
   72    HE1  TYR  11           HE1      TYR  11   2.175  -5.288  -4.411
   73    HE2  TYR  11           HE2      TYR  11   3.655  -1.721  -6.280
   74    HH   TYR  11           HH       TYR  11   4.739  -4.221  -4.757
   75    HA   PRO  12           HA       PRO  12  -1.869  -5.424  -7.517
   76   1HB   PRO  12           HB2      PRO  12  -3.526  -7.601  -7.711
   77   2HB   PRO  12           HB1      PRO  12  -4.116  -5.951  -7.436
   78   1HG   PRO  12           HG2      PRO  12  -4.175  -7.573  -9.952
   79   2HG   PRO  12           HG1      PRO  12  -5.298  -6.318  -9.400
   80   1HD   PRO  12           HD2      PRO  12  -3.261  -5.936 -11.298
   81   2HD   PRO  12           HD1      PRO  12  -4.120  -4.676 -10.457
   82    H    LYS  13           HN       LYS  13  -1.727  -7.984  -6.759
   83    HA   LYS  13           HA       LYS  13   0.053  -9.464  -8.620
   84   1HB   LYS  13           HB2      LYS  13   0.908  -8.017  -6.252
   85   2HB   LYS  13           HB1      LYS  13   1.224  -9.742  -6.075
   86   1HG   LYS  13           HG2      LYS  13   2.205  -9.600  -8.469
   87   2HG   LYS  13           HG1      LYS  13   2.238  -7.857  -8.197
   88   1HD   LYS  13           HD2      LYS  13   3.902  -7.992  -6.629
   89   2HD   LYS  13           HD1      LYS  13   3.341  -9.548  -6.017
   90   1HE   LYS  13           HE2      LYS  13   5.031 -10.493  -7.172
   91   2HE   LYS  13           HE1      LYS  13   4.141 -10.088  -8.639
   92   1HZ   LYS  13           HZ2      LYS  13   5.543  -7.837  -7.592
   93   2HZ   LYS  13           HZ1      LYS  13   6.599  -9.129  -7.915
   94   3HZ   LYS  13           HZ3      LYS  13   5.605  -8.521  -9.148
   95    HA   PRO  14           HA       PRO  14  -2.357 -12.749  -6.863
   96   1HB   PRO  14           HB2      PRO  14  -0.970 -14.822  -8.007
   97   2HB   PRO  14           HB1      PRO  14  -2.122 -13.806  -8.892
   98   1HG   PRO  14           HG2      PRO  14   0.859 -13.799  -8.998
   99   2HG   PRO  14           HG1      PRO  14  -0.309 -13.312 -10.239
  100   1HD   PRO  14           HD2      PRO  14   1.169 -11.565  -8.598
  101   2HD   PRO  14           HD1      PRO  14  -0.237 -11.126  -9.553
  102    H    ALA  15           HN       ALA  15   0.398 -11.771  -5.632
  103    HA   ALA  15           HA       ALA  15   0.415 -13.545  -3.388
  104   1HB   ALA  15           HB2      ALA  15   1.617 -14.758  -5.510
  105   2HB   ALA  15           HB1      ALA  15   2.993 -13.908  -4.806
  106   3HB   ALA  15           HB3      ALA  15   2.075 -15.056  -3.832
  107    H    CYS  16           HN       CYS  16   1.823 -12.702  -1.731
  108    HA   CYS  16           HA       CYS  16   3.720 -10.577  -2.495
  109   1HB   CYS  16           HB2      CYS  16   1.478  -9.926  -0.575
  110   2HB   CYS  16           HB1      CYS  16   2.706  -8.836  -1.207
  111    H    THR  17           HN       THR  17   5.477 -10.995  -1.267
  112    HA   THR  17           HA       THR  17   5.176 -12.287   1.373
  113    HB   THR  17           HB       THR  17   7.740 -11.880   1.410
  114    HG1  THR  17           HG1      THR  17   7.726 -11.880  -1.328
  115   1HG2  THR  17          HG23      THR  17   6.369 -13.714  -0.577
  116   2HG2  THR  17          HG22      THR  17   8.084 -13.830  -0.182
  117   3HG2  THR  17          HG21      THR  17   6.870 -14.098   1.070
  118    H    LEU  18           HN       LEU  18   7.674 -10.025   1.359
  119    HA   LEU  18           HA       LEU  18   7.891  -7.992   2.456
  120   1HB   LEU  18           HB2      LEU  18   5.148  -7.840   1.255
  121   2HB   LEU  18           HB1      LEU  18   5.804  -6.506   2.207
  122    HG   LEU  18           HG       LEU  18   7.805  -7.400   0.356
  123   1HD1  LEU  18          HD12      LEU  18   5.829  -8.262  -0.920
  124   2HD1  LEU  18          HD11      LEU  18   5.169  -6.628  -0.931
  125   3HD1  LEU  18          HD13      LEU  18   6.684  -6.972  -1.764
  126   1HD2  LEU  18          HD21      LEU  18   6.144  -4.885   0.664
  127   2HD2  LEU  18          HD23      LEU  18   7.779  -5.169   1.261
  128   3HD2  LEU  18          HD22      LEU  18   7.486  -5.024  -0.473
  129    H    GLU  19           HN       GLU  19   8.149  -8.840   4.437
  130    HA   GLU  19           HA       GLU  19   6.488 -10.034   6.251
  131   1HB   GLU  19           HB2      GLU  19   7.689  -8.477   8.020
  132   2HB   GLU  19           HB1      GLU  19   8.610  -9.673   7.107
  133   1HG   GLU  19           HG2      GLU  19   8.322  -7.114   5.696
  134   2HG   GLU  19           HG1      GLU  19   9.191  -6.972   7.226
  135    H    TYR  20           HN       TYR  20   5.772  -8.639   8.455
  136    HA   TYR  20           HA       TYR  20   3.412  -7.251   7.496
  137   1HB   TYR  20           HB2      TYR  20   3.595  -8.729   9.594
  138   2HB   TYR  20           HB1      TYR  20   4.297  -7.309  10.373
  139    HD1  TYR  20           HD2      TYR  20   1.595  -7.538   7.783
  140    HD2  TYR  20           HD1      TYR  20   2.632  -6.490  11.819
  141    HE1  TYR  20           HE2      TYR  20  -0.670  -6.576   8.108
  142    HE2  TYR  20           HE1      TYR  20   0.367  -5.535  12.151
  143    HH   TYR  20           HH       TYR  20  -1.526  -4.532  10.102
  144    H    ARG  21           HN       ARG  21   3.876  -5.361   6.550
  145    HA   ARG  21           HA       ARG  21   4.794  -3.147   8.304
  146   1HB   ARG  21           HB2      ARG  21   5.816  -3.711   5.494
  147   2HB   ARG  21           HB1      ARG  21   6.077  -2.196   6.360
  148   1HG   ARG  21           HG2      ARG  21   6.817  -4.297   8.125
  149   2HG   ARG  21           HG1      ARG  21   7.564  -4.645   6.565
  150   1HD   ARG  21           HD2      ARG  21   7.705  -1.817   7.434
  151   2HD   ARG  21           HD1      ARG  21   8.641  -2.952   8.404
  152    HE   ARG  21           HE       ARG  21   9.210  -3.549   5.708
  153   1HH1  ARG  21          HH11      ARG  21   8.989  -0.535   5.503
  154   2HH1  ARG  21          HH12      ARG  21  10.620  -0.047   5.823
  155   1HH2  ARG  21          HH21      ARG  21  11.551  -3.101   7.175
  156   2HH2  ARG  21          HH22      ARG  21  12.070  -1.499   6.766
  157    HA   PRO  22           HA       PRO  22   0.749  -2.619   6.177
  158   1HB   PRO  22           HB2      PRO  22  -0.379  -1.311   8.330
  159   2HB   PRO  22           HB1      PRO  22  -0.390  -3.073   8.096
  160   1HG   PRO  22           HG2      PRO  22   1.315  -1.411   9.910
  161   2HG   PRO  22           HG1      PRO  22   0.730  -3.070  10.128
  162   1HD   PRO  22           HD2      PRO  22   3.322  -2.411   9.353
  163   2HD   PRO  22           HD1      PRO  22   2.549  -3.981   9.044
  164    H    LEU  23           HN       LEU  23  -0.084  -0.903   5.105
  165    HA   LEU  23           HA       LEU  23   1.083   1.784   5.708
  166   1HB   LEU  23           HB2      LEU  23   0.366   0.591   3.011
  167   2HB   LEU  23           HB1      LEU  23   0.921   2.246   3.273
  168    HG   LEU  23           HG       LEU  23   2.724   0.458   4.605
  169   1HD1  LEU  23          HD11      LEU  23   1.581  -0.706   2.286
  170   2HD1  LEU  23          HD13      LEU  23   3.203  -0.175   1.842
  171   3HD1  LEU  23          HD12      LEU  23   2.976  -1.277   3.201
  172   1HD2  LEU  23          HD23      LEU  23   2.758   2.540   2.477
  173   2HD2  LEU  23          HD22      LEU  23   3.695   2.442   3.967
  174   3HD2  LEU  23          HD21      LEU  23   4.155   1.469   2.570
  175    H    CYS  24           HN       CYS  24  -0.474   3.196   6.316
  176    HA   CYS  24           HA       CYS  24  -3.299   2.471   6.092
  177   1HB   CYS  24           HB2      CYS  24  -2.791   3.589   8.106
  178   2HB   CYS  24           HB1      CYS  24  -1.752   4.742   7.312
  179    H    GLY  25           HN       GLY  25  -4.777   3.338   4.670
  180   1HA   GLY  25           HA2      GLY  25  -3.876   4.638   2.244
  181   2HA   GLY  25           HA1      GLY  25  -5.479   4.346   2.705
  182    H    SER  26           HN       SER  26  -5.413   6.775   1.647
  183    HA   SER  26           HA       SER  26  -4.808   8.693   3.843
  184   1HB   SER  26           HB2      SER  26  -4.195   9.470   1.648
  185   2HB   SER  26           HB1      SER  26  -5.784   9.075   1.000
  186    HG   SER  26           HG       SER  26  -4.953  11.208   2.582
  187    H    ASP  27           HN       ASP  27  -7.120   6.570   3.511
  188    HA   ASP  27           HA       ASP  27  -9.297   8.444   4.337
  189   1HB   ASP  27           HB2      ASP  27 -10.901   6.807   3.419
  190   2HB   ASP  27           HB1      ASP  27  -9.795   7.372   2.167
  191    H    ASN  28           HN       ASN  28  -7.128   6.358   5.539
  192    HA   ASN  28           HA       ASN  28  -7.043   5.489   7.740
  193   1HB   ASN  28           HB2      ASN  28  -9.132   6.941   8.168
  194   2HB   ASN  28           HB1      ASN  28 -10.057   5.478   7.828
  195   1HD2  ASN  28          HD22      ASN  28  -9.695   4.694  11.258
  196   2HD2  ASN  28          HD21      ASN  28 -10.767   5.079   9.999
  197    H    LYS  29           HN       LYS  29  -7.150   3.978   5.256
  198    HA   LYS  29           HA       LYS  29  -8.536   1.496   6.198
  199   1HB   LYS  29           HB2      LYS  29  -8.683   2.748   3.723
  200   2HB   LYS  29           HB1      LYS  29  -7.509   1.459   3.454
  201   1HG   LYS  29           HG2      LYS  29 -10.301   1.138   4.593
  202   2HG   LYS  29           HG1      LYS  29  -9.744   0.598   3.011
  203   1HD   LYS  29           HD2      LYS  29  -8.688  -1.230   3.858
  204   2HD   LYS  29           HD1      LYS  29  -8.130  -0.367   5.292
  205   1HE   LYS  29           HE2      LYS  29  -9.764  -1.369   6.471
  206   2HE   LYS  29           HE1      LYS  29 -10.949  -0.495   5.500
  207   1HZ   LYS  29           HZ3      LYS  29  -9.944  -2.640   3.996
  208   2HZ   LYS  29           HZ2      LYS  29 -10.423  -3.235   5.513
  209   3HZ   LYS  29           HZ1      LYS  29 -11.530  -2.387   4.541
  210    H    THR  30           HN       THR  30  -7.033   0.331   7.333
  211    HA   THR  30           HA       THR  30  -4.188   0.485   6.742
  212    HB   THR  30           HB       THR  30  -5.811  -1.306   8.567
  213    HG1  THR  30           HG1      THR  30  -5.593   0.442   9.693
  214   1HG2  THR  30          HG23      THR  30  -2.807  -1.215   8.125
  215   2HG2  THR  30          HG22      THR  30  -3.590  -2.029   9.481
  216   3HG2  THR  30          HG21      THR  30  -3.873  -2.589   7.834
  217    H    TYR  31           HN       TYR  31  -3.011  -0.809   5.428
  218    HA   TYR  31           HA       TYR  31  -4.341  -3.252   4.318
  219   1HB   TYR  31           HB2      TYR  31  -2.483  -1.231   3.076
  220   2HB   TYR  31           HB1      TYR  31  -2.545  -2.878   2.452
  221    HD1  TYR  31           HD1      TYR  31  -4.575   0.169   3.104
  222    HD2  TYR  31           HD2      TYR  31  -4.408  -3.672   1.190
  223    HE1  TYR  31           HE1      TYR  31  -6.650   0.702   1.853
  224    HE2  TYR  31           HE2      TYR  31  -6.481  -3.140  -0.061
  225    HH   TYR  31           HH       TYR  31  -7.800  -1.327  -0.737
  226    H    GLY  32           HN       GLY  32  -3.086  -5.177   4.428
  227   1HA   GLY  32           HA2      GLY  32  -1.411  -5.639   6.514
  228   2HA   GLY  32           HA1      GLY  32  -1.208  -6.528   5.016
  229    H    ASN  33           HN       ASN  33  -0.266  -4.540   3.302
  230    HA   ASN  33           HA       ASN  33   1.743  -2.917   4.533
  231   1HB   ASN  33           HB2      ASN  33   3.745  -4.122   3.937
  232   2HB   ASN  33           HB1      ASN  33   2.728  -5.192   4.878
  233   1HD2  ASN  33          HD22      ASN  33   3.709  -7.240   2.021
  234   2HD2  ASN  33          HD21      ASN  33   4.397  -6.638   3.447
  235    H    LYS  34           HN       LYS  34   3.620  -3.381   2.246
  236    HA   LYS  34           HA       LYS  34   2.529  -1.383   0.547
  237   1HB   LYS  34           HB2      LYS  34   4.684  -1.187  -0.015
  238   2HB   LYS  34           HB1      LYS  34   5.023  -2.518   1.071
  239   1HG   LYS  34           HG2      LYS  34   4.885  -4.122  -0.714
  240   2HG   LYS  34           HG1      LYS  34   4.260  -2.905  -1.834
  241   1HD   LYS  34           HD2      LYS  34   6.486  -1.628  -1.203
  242   2HD   LYS  34           HD1      LYS  34   7.045  -3.242  -0.770
  243   1HE   LYS  34           HE2      LYS  34   7.564  -3.458  -2.963
  244   2HE   LYS  34           HE1      LYS  34   5.830  -3.667  -3.210
  245   1HZ   LYS  34           HZ1      LYS  34   6.943  -0.954  -3.060
  246   2HZ   LYS  34           HZ3      LYS  34   7.123  -1.837  -4.497
  247   3HZ   LYS  34           HZ2      LYS  34   5.569  -1.511  -3.890
  248    H    CYS  35           HN       CYS  35   2.809  -4.932   0.017
  249    HA   CYS  35           HA       CYS  35   1.866  -4.737  -2.688
  250   1HB   CYS  35           HB2      CYS  35   3.100  -6.723  -1.639
  251   2HB   CYS  35           HB1      CYS  35   1.547  -7.172  -0.932
  252    H    ASN  36           HN       ASN  36   0.211  -5.449   0.389
  253    HA   ASN  36           HA       ASN  36  -2.369  -5.806  -0.863
  254   1HB   ASN  36           HB2      ASN  36  -1.600  -5.183   2.001
  255   2HB   ASN  36           HB1      ASN  36  -3.239  -5.578   1.475
  256   1HD2  ASN  36          HD22      ASN  36  -0.373  -8.521   1.484
  257   2HD2  ASN  36          HD21      ASN  36   0.089  -6.892   1.560
  258    H    PHE  37           HN       PHE  37  -0.574  -3.065   0.348
  259    HA   PHE  37           HA       PHE  37  -2.823  -1.197   0.323
  260   1HB   PHE  37           HB2      PHE  37  -0.694  -1.011   1.646
  261   2HB   PHE  37           HB1      PHE  37   0.124  -0.502   0.272
  262    HD1  PHE  37           HD1      PHE  37  -2.832   0.431   2.330
  263    HD2  PHE  37           HD2      PHE  37   0.062   1.539  -0.608
  264    HE1  PHE  37           HE1      PHE  37  -3.655   2.763   2.412
  265    HE2  PHE  37           HE2      PHE  37  -0.732   3.868  -0.553
  266    HZ   PHE  37           HZ       PHE  37  -2.583   4.508   0.965
  267    H    CYS  38           HN       CYS  38  -0.367  -2.253  -1.760
  268    HA   CYS  38           HA       CYS  38  -0.629  -0.072  -3.663
  269   1HB   CYS  38           HB2      CYS  38   0.911  -2.595  -3.532
  270   2HB   CYS  38           HB1      CYS  38   0.497  -2.043  -5.146
  271    H    ASN  39           HN       ASN  39  -1.602  -3.540  -3.908
  272    HA   ASN  39           HA       ASN  39  -2.927  -3.534  -6.324
  273   1HB   ASN  39           HB2      ASN  39  -4.756  -4.692  -4.394
  274   2HB   ASN  39           HB1      ASN  39  -3.794  -5.505  -5.623
  275   1HD2  ASN  39          HD22      ASN  39  -1.421  -6.663  -3.288
  276   2HD2  ASN  39          HD21      ASN  39  -1.941  -6.650  -4.903
  277    H    ALA  40           HN       ALA  40  -3.936  -1.916  -3.386
  278    HA   ALA  40           HA       ALA  40  -6.559  -1.164  -4.396
  279   1HB   ALA  40           HB3      ALA  40  -4.848  -0.283  -2.063
  280   2HB   ALA  40           HB2      ALA  40  -6.361   0.537  -2.448
  281   3HB   ALA  40           HB1      ALA  40  -6.368  -1.175  -2.024
  282    H    VAL  41           HN       VAL  41  -3.457   0.515  -3.925
  283    HA   VAL  41           HA       VAL  41  -4.088   3.030  -4.996
  284    HB   VAL  41           HB       VAL  41  -1.546   1.404  -5.282
  285   1HG1  VAL  41          HG13      VAL  41  -1.850   3.315  -6.931
  286   2HG1  VAL  41          HG12      VAL  41  -1.863   4.401  -5.541
  287   3HG1  VAL  41          HG11      VAL  41  -0.431   3.431  -5.891
  288   1HG2  VAL  41          HG21      VAL  41  -2.806   2.748  -3.069
  289   2HG2  VAL  41          HG23      VAL  41  -1.288   1.851  -3.090
  290   3HG2  VAL  41          HG22      VAL  41  -1.299   3.574  -3.466
  291    H    VAL  42           HN       VAL  42  -2.696   0.268  -6.766
  292    HA   VAL  42           HA       VAL  42  -2.902   1.405  -9.345
  293    HB   VAL  42           HB       VAL  42  -1.412  -0.427  -8.967
  294   1HG1  VAL  42          HG11      VAL  42  -3.855  -1.710  -7.798
  295   2HG1  VAL  42          HG13      VAL  42  -2.589  -2.734  -8.475
  296   3HG1  VAL  42          HG12      VAL  42  -2.216  -1.631  -7.151
  297   1HG2  VAL  42          HG22      VAL  42  -3.372  -0.451 -10.972
  298   2HG2  VAL  42          HG21      VAL  42  -1.818  -1.286 -10.996
  299   3HG2  VAL  42          HG23      VAL  42  -3.257  -2.117 -10.407
  300    H    GLU  43           HN       GLU  43  -5.257  -0.388  -7.396
  301    HA   GLU  43           HA       GLU  43  -7.061  -0.600  -9.730
  302   1HB   GLU  43           HB2      GLU  43  -6.717  -2.257  -7.569
  303   2HB   GLU  43           HB1      GLU  43  -8.117  -1.323  -7.077
  304   1HG   GLU  43           HG2      GLU  43  -9.455  -2.251  -8.656
  305   2HG   GLU  43           HG1      GLU  43  -8.186  -2.200  -9.882
  306    H    SER  44           HN       SER  44  -6.216   1.858  -7.830
  307    HA   SER  44           HA       SER  44  -9.001   2.950  -7.756
  308   1HB   SER  44           HB2      SER  44  -8.553   4.040  -5.691
  309   2HB   SER  44           HB1      SER  44  -7.924   2.408  -5.488
  310    HG   SER  44           HG       SER  44  -6.621   4.818  -5.565
  311    H    ASN  45           HN       ASN  45  -6.101   3.196  -9.286
  312    HA   ASN  45           HA       ASN  45  -5.294   4.873 -10.734
  313   1HB   ASN  45           HB2      ASN  45  -7.938   5.474 -10.574
  314   2HB   ASN  45           HB1      ASN  45  -7.248   6.919  -9.833
  315   1HD2  ASN  45          HD22      ASN  45  -7.330   7.545 -13.499
  316   2HD2  ASN  45          HD21      ASN  45  -8.484   7.301 -12.280
  317    H    GLY  46           HN       GLY  46  -5.185   4.793  -7.515
  318   1HA   GLY  46           HA2      GLY  46  -3.468   5.776  -6.174
  319   2HA   GLY  46           HA1      GLY  46  -3.264   7.035  -7.386
  320    H    THR  47           HN       THR  47  -6.533   6.456  -6.621
  321    HA   THR  47           HA       THR  47  -6.730   9.074  -5.320
  322    HB   THR  47           HB       THR  47  -8.495   8.339  -6.870
  323    HG1  THR  47           HG1      THR  47  -9.476   8.350  -4.214
  324   1HG2  THR  47          HG23      THR  47  -8.138   5.861  -5.862
  325   2HG2  THR  47          HG22      THR  47  -9.563   6.350  -4.944
  326   3HG2  THR  47          HG21      THR  47  -9.606   6.348  -6.708
  327    H    LEU  48           HN       LEU  48  -5.982   5.991  -4.265
  328    HA   LEU  48           HA       LEU  48  -7.340   6.094  -1.680
  329   1HB   LEU  48           HB2      LEU  48  -6.993   3.882  -2.298
  330   2HB   LEU  48           HB1      LEU  48  -5.469   4.244  -3.102
  331    HG   LEU  48           HG       LEU  48  -4.351   4.498  -0.936
  332   1HD1  LEU  48          HD13      LEU  48  -7.015   4.852  -0.029
  333   2HD1  LEU  48          HD12      LEU  48  -6.382   3.418   0.779
  334   3HD1  LEU  48          HD11      LEU  48  -5.533   4.956   0.917
  335   1HD2  LEU  48          HD22      LEU  48  -5.167   2.137  -2.060
  336   2HD2  LEU  48          HD21      LEU  48  -4.082   2.248  -0.674
  337   3HD2  LEU  48          HD23      LEU  48  -5.806   1.976  -0.425
  338    H    THR  49           HN       THR  49  -3.946   5.954  -2.573
  339    HA   THR  49           HA       THR  49  -2.032   6.869  -1.652
  340    HB   THR  49           HB       THR  49  -2.142   9.159  -1.067
  341    HG1  THR  49           HG1      THR  49  -4.270  10.082  -0.614
  342   1HG2  THR  49          HG21      THR  49  -2.955   8.427  -3.417
  343   2HG2  THR  49          HG23      THR  49  -4.549   8.919  -2.846
  344   3HG2  THR  49          HG22      THR  49  -3.236  10.094  -2.917
  345    H    LEU  50           HN       LEU  50  -1.104   7.505   0.578
  346    HA   LEU  50           HA       LEU  50  -2.672   6.086   2.658
  347   1HB   LEU  50           HB2      LEU  50  -0.928   4.654   2.557
  348   2HB   LEU  50           HB1      LEU  50   0.018   5.765   1.577
  349    HG   LEU  50           HG       LEU  50  -0.268   6.417   4.472
  350   1HD1  LEU  50          HD11      LEU  50   1.204   4.083   3.306
  351   2HD1  LEU  50          HD13      LEU  50   1.744   4.860   4.792
  352   3HD1  LEU  50          HD12      LEU  50   0.142   4.124   4.713
  353   1HD2  LEU  50          HD23      LEU  50   1.773   6.665   2.262
  354   2HD2  LEU  50          HD22      LEU  50   1.080   7.939   3.265
  355   3HD2  LEU  50          HD21      LEU  50   2.267   6.828   3.947
  356    H    SER  51           HN       SER  51  -2.358   6.828   4.842
  357    HA   SER  51           HA       SER  51  -2.055   9.709   5.013
  358   1HB   SER  51           HB2      SER  51  -3.192   9.444   6.979
  359   2HB   SER  51           HB1      SER  51  -3.972   8.222   6.112
  360    HG   SER  51           HG       SER  51  -2.156   8.156   8.198
  361    H    HIS  52           HN       HIS  52  -0.949   6.827   6.763
  362    HA   HIS  52           HA       HIS  52   1.705   8.087   7.200
  363   1HB   HIS  52           HB2      HIS  52   1.672   7.524   9.549
  364   2HB   HIS  52           HB1      HIS  52   0.162   8.381   9.218
  365    HD1  HIS  52           HD1      HIS  52   1.413   5.281  10.633
  366    HD2  HIS  52           HD2      HIS  52  -2.056   6.401   8.612
  367    HE1  HIS  52           HE1      HIS  52  -0.285   3.437  11.007
  368    H    PHE  53           HN       PHE  53   3.374   6.400   7.693
  369    HA   PHE  53           HA       PHE  53   2.788   3.907   6.262
  370   1HB   PHE  53           HB2      PHE  53   5.268   4.962   7.642
  371   2HB   PHE  53           HB1      PHE  53   5.185   3.372   6.886
  372    HD1  PHE  53           HD2      PHE  53   4.328   6.940   6.114
  373    HD2  PHE  53           HD1      PHE  53   5.819   3.189   4.649
  374    HE1  PHE  53           HE2      PHE  53   4.742   7.971   3.901
  375    HE2  PHE  53           HE1      PHE  53   6.234   4.219   2.432
  376    HZ   PHE  53           HZ       PHE  53   5.696   6.612   2.057
  377    H    GLY  54           HN       GLY  54   1.724   2.326   7.342
  378   1HA   GLY  54           HA2      GLY  54   2.392   0.688   9.289
  379   2HA   GLY  54           HA1      GLY  54   2.018   2.104  10.259
  380    H    LYS  55           HN       LYS  55   0.436   0.289  10.959
  381    HA   LYS  55           HA       LYS  55  -1.932  -0.018   9.256
  382   1HB   LYS  55           HB2      LYS  55  -2.715  -0.858  11.769
  383   2HB   LYS  55           HB1      LYS  55  -2.047  -1.900  10.519
  384   1HG   LYS  55           HG2      LYS  55   0.159  -1.726  11.448
  385   2HG   LYS  55           HG1      LYS  55  -0.325  -0.411  12.518
  386   1HD   LYS  55           HD2      LYS  55  -0.190  -2.527  13.766
  387   2HD   LYS  55           HD1      LYS  55  -1.855  -1.948  13.709
  388   1HE   LYS  55           HE2      LYS  55  -2.419  -3.502  11.962
  389   2HE   LYS  55           HE1      LYS  55  -0.729  -3.948  11.735
  390   1HZ   LYS  55           HZ1      LYS  55  -2.102  -4.324  14.326
  391   2HZ   LYS  55           HZ3      LYS  55  -2.166  -5.502  13.106
  392   3HZ   LYS  55           HZ2      LYS  55  -0.670  -5.050  13.774
  393    H    CYS  56           HN       CYS  56  -3.241   1.733   9.040
  394    HA   CYS  56           HA       CYS  56  -3.417   3.987  10.690
  395   1HB   CYS  56           HB2      CYS  56  -4.841   2.962   8.468
  396   2HB   CYS  56           HB1      CYS  56  -6.048   3.341   9.697
   
  No H/Q in entry =         396
  Start of MODEL          30
 Raw file had  401 H/Q atoms
  Start of MODEL   30
    1   1H    LEU   1           HT1      LEU   1  11.695  16.181   3.606
    2   2H    LEU   1           HT3      LEU   1  10.052  15.839   3.855
    3   3H    LEU   1           HT2      LEU   1  10.847  16.952   4.861
    4    HA   LEU   1           HA       LEU   1  12.248  15.206   5.753
    5   1HB   LEU   1           HB2      LEU   1   9.487  15.570   6.190
    6   2HB   LEU   1           HB1      LEU   1   9.732  13.823   6.141
    7    HG   LEU   1           HG       LEU   1  11.439  13.949   7.850
    8   1HD1  LEU   1          HD11      LEU   1  11.247  16.875   7.251
    9   2HD1  LEU   1          HD13      LEU   1  11.685  16.384   8.887
   10   3HD1  LEU   1          HD12      LEU   1  12.677  15.879   7.519
   11   1HD2  LEU   1          HD23      LEU   1   8.900  15.487   8.395
   12   2HD2  LEU   1          HD22      LEU   1   9.308  13.837   8.865
   13   3HD2  LEU   1          HD21      LEU   1  10.077  15.200   9.678
   14    H    ALA   2           HN       ALA   2  12.928  14.457   3.336
   15    HA   ALA   2           HA       ALA   2  13.501  12.533   2.109
   16   1HB   ALA   2           HB1      ALA   2  13.292  11.515   4.523
   17   2HB   ALA   2           HB3      ALA   2  11.775  10.855   3.909
   18   3HB   ALA   2           HB2      ALA   2  13.299  10.436   3.126
   19    H    ALA   3           HN       ALA   3  11.898  10.319   1.437
   20    HA   ALA   3           HA       ALA   3   9.618  11.708   0.096
   21   1HB   ALA   3           HB1      ALA   3  11.661   9.930  -0.870
   22   2HB   ALA   3           HB3      ALA   3  10.085   9.171  -1.089
   23   3HB   ALA   3           HB2      ALA   3  10.403  10.759  -1.786
   24    H    VAL   4           HN       VAL   4   7.648  11.195   0.884
   25    HA   VAL   4           HA       VAL   4   7.348   8.616   2.354
   26    HB   VAL   4           HB       VAL   4   6.819  10.711   3.603
   27   1HG1  VAL   4          HG13      VAL   4   5.866  11.703   1.319
   28   2HG1  VAL   4          HG12      VAL   4   4.353  11.050   1.945
   29   3HG1  VAL   4          HG11      VAL   4   5.249  12.248   2.879
   30   1HG2  VAL   4          HG22      VAL   4   4.568   8.788   2.966
   31   2HG2  VAL   4          HG21      VAL   4   5.680   8.733   4.334
   32   3HG2  VAL   4          HG23      VAL   4   4.453   9.998   4.244
   33    H    SER   5           HN       SER   5   6.798   7.168   0.731
   34    HA   SER   5           HA       SER   5   4.164   6.977  -0.201
   35   1HB   SER   5           HB2      SER   5   5.582   9.007  -1.601
   36   2HB   SER   5           HB1      SER   5   5.396   7.650  -2.708
   37    HG   SER   5           HG       SER   5   3.330   8.031  -2.786
   38    H    VAL   6           HN       VAL   6   3.925   4.927  -1.036
   39    HA   VAL   6           HA       VAL   6   6.387   3.348  -1.444
   40    HB   VAL   6           HB       VAL   6   3.593   2.269  -1.742
   41   1HG1  VAL   6          HG11      VAL   6   6.050   1.108  -1.929
   42   2HG1  VAL   6          HG13      VAL   6   5.711   0.876  -0.213
   43   3HG1  VAL   6          HG12      VAL   6   4.597   0.245  -1.425
   44   1HG2  VAL   6          HG22      VAL   6   4.680   3.605   0.589
   45   2HG2  VAL   6          HG21      VAL   6   3.074   2.914   0.356
   46   3HG2  VAL   6          HG23      VAL   6   4.395   1.898   0.932
   47    H    ASP   7           HN       ASP   7   6.764   2.137  -3.403
   48    HA   ASP   7           HA       ASP   7   5.923   3.568  -5.807
   49   1HB   ASP   7           HB2      ASP   7   8.218   2.456  -5.358
   50   2HB   ASP   7           HB1      ASP   7   7.411   0.943  -5.771
   51    H    CYS   8           HN       CYS   8   4.579   2.745  -7.458
   52    HA   CYS   8           HA       CYS   8   3.172   0.184  -6.846
   53   1HB   CYS   8           HB2      CYS   8   2.024   2.900  -7.291
   54   2HB   CYS   8           HB1      CYS   8   1.161   1.527  -7.982
   55    H    SER   9           HN       SER   9   5.359   0.837  -8.739
   56    HA   SER   9           HA       SER   9   4.041   0.820 -11.375
   57   1HB   SER   9           HB2      SER   9   6.207   2.058 -10.915
   58   2HB   SER   9           HB1      SER   9   6.988   0.487 -10.762
   59    HG   SER   9           HG       SER   9   5.774   1.685 -13.012
   60    H    GLU  10           HN       GLU  10   4.175  -1.441  -9.180
   61    HA   GLU  10           HA       GLU  10   4.560  -3.612 -11.183
   62   1HB   GLU  10           HB2      GLU  10   5.672  -3.590  -8.358
   63   2HB   GLU  10           HB1      GLU  10   5.677  -4.991  -9.431
   64   1HG   GLU  10           HG2      GLU  10   7.774  -4.146  -9.906
   65   2HG   GLU  10           HG1      GLU  10   6.825  -3.254 -11.096
   66    H    TYR  11           HN       TYR  11   2.214  -2.246  -9.981
   67    HA   TYR  11           HA       TYR  11   0.957  -4.616  -8.712
   68   1HB   TYR  11           HB2      TYR  11   0.759  -1.677  -8.031
   69   2HB   TYR  11           HB1      TYR  11  -0.471  -2.820  -7.504
   70    HD1  TYR  11           HD1      TYR  11   0.167  -4.749  -6.011
   71    HD2  TYR  11           HD2      TYR  11   2.940  -1.641  -7.057
   72    HE1  TYR  11           HE1      TYR  11   1.665  -5.459  -4.153
   73    HE2  TYR  11           HE2      TYR  11   4.431  -2.345  -5.205
   74    HH   TYR  11           HH       TYR  11   3.429  -4.669  -2.819
   75    HA   PRO  12           HA       PRO  12  -1.125  -4.457  -7.827
   76   1HB   PRO  12           HB2      PRO  12  -3.296  -6.093  -8.277
   77   2HB   PRO  12           HB1      PRO  12  -3.432  -4.360  -7.938
   78   1HG   PRO  12           HG2      PRO  12  -3.877  -5.785 -10.492
   79   2HG   PRO  12           HG1      PRO  12  -4.397  -4.161 -10.016
   80   1HD   PRO  12           HD2      PRO  12  -2.142  -4.885 -11.640
   81   2HD   PRO  12           HD1      PRO  12  -2.663  -3.274 -11.259
   82    H    LYS  13           HN       LYS  13  -0.706  -6.572  -6.874
   83    HA   LYS  13           HA       LYS  13   0.456  -8.505  -8.838
   84   1HB   LYS  13           HB2      LYS  13   1.414  -7.358  -6.337
   85   2HB   LYS  13           HB1      LYS  13   1.449  -9.119  -6.301
   86   1HG   LYS  13           HG2      LYS  13   2.521  -8.898  -8.675
   87   2HG   LYS  13           HG1      LYS  13   2.875  -7.243  -8.168
   88   1HD   LYS  13           HD2      LYS  13   3.803  -8.359  -6.003
   89   2HD   LYS  13           HD1      LYS  13   3.855  -9.828  -6.976
   90   1HE   LYS  13           HE2      LYS  13   5.329  -7.235  -7.432
   91   2HE   LYS  13           HE1      LYS  13   5.996  -8.857  -7.262
   92   1HZ   LYS  13           HZ2      LYS  13   4.599  -9.362  -9.335
   93   2HZ   LYS  13           HZ1      LYS  13   4.567  -7.676  -9.551
   94   3HZ   LYS  13           HZ3      LYS  13   6.050  -8.498  -9.529
   95    HA   PRO  14           HA       PRO  14  -2.561 -11.391  -7.334
   96   1HB   PRO  14           HB2      PRO  14  -1.513 -13.609  -8.570
   97   2HB   PRO  14           HB1      PRO  14  -2.441 -12.362  -9.422
   98   1HG   PRO  14           HG2      PRO  14   0.495 -12.873  -9.460
   99   2HG   PRO  14           HG1      PRO  14  -0.527 -12.113 -10.691
  100   1HD   PRO  14           HD2      PRO  14   1.179 -10.761  -8.899
  101   2HD   PRO  14           HD1      PRO  14  -0.082 -10.022  -9.871
  102    H    ALA  15           HN       ALA  15   0.287 -10.947  -6.013
  103    HA   ALA  15           HA       ALA  15  -0.055 -13.023  -3.992
  104   1HB   ALA  15           HB2      ALA  15   2.373 -13.033  -5.809
  105   2HB   ALA  15           HB1      ALA  15   2.288 -13.906  -4.279
  106   3HB   ALA  15           HB3      ALA  15   1.201 -14.335  -5.601
  107    H    CYS  16           HN       CYS  16   0.180 -11.780  -2.202
  108    HA   CYS  16           HA       CYS  16   1.858  -9.379  -2.250
  109   1HB   CYS  16           HB2      CYS  16   0.195 -10.674  -0.073
  110   2HB   CYS  16           HB1      CYS  16   1.077  -9.160   0.133
  111    H    THR  17           HN       THR  17   3.788  -9.090  -1.100
  112    HA   THR  17           HA       THR  17   5.501 -11.331  -0.764
  113    HB   THR  17           HB       THR  17   7.041  -9.793   0.312
  114    HG1  THR  17           HG1      THR  17   4.666  -8.363   0.762
  115   1HG2  THR  17          HG23      THR  17   5.692  -9.248  -2.143
  116   2HG2  THR  17          HG22      THR  17   6.043  -7.706  -1.360
  117   3HG2  THR  17          HG21      THR  17   7.349  -8.842  -1.697
  118    H    LEU  18           HN       LEU  18   6.605 -10.832   1.865
  119    HA   LEU  18           HA       LEU  18   4.371 -11.877   3.557
  120   1HB   LEU  18           HB2      LEU  18   7.289 -12.700   3.519
  121   2HB   LEU  18           HB1      LEU  18   6.132 -13.218   4.747
  122    HG   LEU  18           HG       LEU  18   5.559 -13.613   1.814
  123   1HD1  LEU  18          HD13      LEU  18   7.736 -14.767   3.169
  124   2HD1  LEU  18          HD12      LEU  18   6.481 -16.006   3.168
  125   3HD1  LEU  18          HD11      LEU  18   7.034 -15.309   1.645
  126   1HD2  LEU  18          HD23      LEU  18   4.570 -14.733   4.436
  127   2HD2  LEU  18          HD22      LEU  18   3.638 -13.985   3.138
  128   3HD2  LEU  18          HD21      LEU  18   4.310 -15.602   2.923
  129    H    GLU  19           HN       GLU  19   7.218  -9.817   3.361
  130    HA   GLU  19           HA       GLU  19   7.670  -9.147   6.027
  131   1HB   GLU  19           HB2      GLU  19   7.581  -7.330   3.600
  132   2HB   GLU  19           HB1      GLU  19   8.196  -6.822   5.175
  133   1HG   GLU  19           HG2      GLU  19  10.195  -7.666   4.535
  134   2HG   GLU  19           HG1      GLU  19   9.465  -9.261   4.708
  135    H    TYR  20           HN       TYR  20   6.648  -7.745   7.532
  136    HA   TYR  20           HA       TYR  20   3.809  -7.166   6.856
  137   1HB   TYR  20           HB2      TYR  20   4.291  -8.569   8.872
  138   2HB   TYR  20           HB1      TYR  20   5.123  -7.187   9.585
  139    HD1  TYR  20           HD2      TYR  20   2.041  -7.197   7.477
  140    HD2  TYR  20           HD1      TYR  20   3.711  -6.554  11.383
  141    HE1  TYR  20           HE2      TYR  20  -0.126  -6.273   8.247
  142    HE2  TYR  20           HE1      TYR  20   1.542  -5.630  12.156
  143    HH   TYR  20           HH       TYR  20  -0.469  -4.520  11.080
  144    H    ARG  21           HN       ARG  21   4.173  -5.201   5.727
  145    HA   ARG  21           HA       ARG  21   5.091  -2.935   7.458
  146   1HB   ARG  21           HB2      ARG  21   4.971  -2.783   4.450
  147   2HB   ARG  21           HB1      ARG  21   5.963  -1.845   5.566
  148   1HG   ARG  21           HG2      ARG  21   6.373  -4.815   5.425
  149   2HG   ARG  21           HG1      ARG  21   7.039  -3.802   4.148
  150   1HD   ARG  21           HD2      ARG  21   7.656  -2.486   6.566
  151   2HD   ARG  21           HD1      ARG  21   8.012  -4.192   6.840
  152    HE   ARG  21           HE       ARG  21   9.432  -4.056   4.737
  153   1HH1  ARG  21          HH21      ARG  21   9.803  -1.999   3.289
  154   2HH1  ARG  21          HH22      ARG  21  10.597  -0.731   4.162
  155   1HH2  ARG  21          HH11      ARG  21   9.933  -2.101   7.276
  156   2HH2  ARG  21          HH12      ARG  21  10.671  -0.791   6.419
  157    HA   PRO  22           HA       PRO  22   0.596  -2.505   6.852
  158   1HB   PRO  22           HB2      PRO  22   0.244  -1.114   9.222
  159   2HB   PRO  22           HB1      PRO  22   0.203  -2.889   9.081
  160   1HG   PRO  22           HG2      PRO  22   2.392  -1.128  10.117
  161   2HG   PRO  22           HG1      PRO  22   1.966  -2.782  10.588
  162   1HD   PRO  22           HD2      PRO  22   4.104  -2.124   8.923
  163   2HD   PRO  22           HD1      PRO  22   3.324  -3.720   8.973
  164    H    LEU  23           HN       LEU  23   0.314  -0.959   5.264
  165    HA   LEU  23           HA       LEU  23   1.158   1.832   5.966
  166   1HB   LEU  23           HB2      LEU  23   0.414   0.985   3.180
  167   2HB   LEU  23           HB1      LEU  23   1.536   2.243   3.699
  168    HG   LEU  23           HG       LEU  23   2.096  -0.665   4.275
  169   1HD1  LEU  23          HD11      LEU  23   2.559   0.886   1.739
  170   2HD1  LEU  23          HD13      LEU  23   3.602  -0.461   2.197
  171   3HD1  LEU  23          HD12      LEU  23   1.878  -0.728   1.937
  172   1HD2  LEU  23          HD21      LEU  23   3.733   1.870   4.054
  173   2HD2  LEU  23          HD23      LEU  23   3.470   0.881   5.492
  174   3HD2  LEU  23          HD22      LEU  23   4.455   0.264   4.165
  175    H    CYS  24           HN       CYS  24  -0.582   3.116   6.543
  176    HA   CYS  24           HA       CYS  24  -3.277   2.105   5.969
  177   1HB   CYS  24           HB2      CYS  24  -2.575   3.415   8.090
  178   2HB   CYS  24           HB1      CYS  24  -2.719   4.840   7.104
  179    H    GLY  25           HN       GLY  25  -4.905   3.597   4.915
  180   1HA   GLY  25           HA2      GLY  25  -3.617   5.049   2.672
  181   2HA   GLY  25           HA1      GLY  25  -4.938   4.046   2.443
  182    H    SER  26           HN       SER  26  -5.133   6.593   1.517
  183    HA   SER  26           HA       SER  26  -6.102   8.439   3.526
  184   1HB   SER  26           HB2      SER  26  -5.160   9.021   1.237
  185   2HB   SER  26           HB1      SER  26  -6.712   8.530   0.563
  186    HG   SER  26           HG       SER  26  -6.043  10.718   2.164
  187    H    ASP  27           HN       ASP  27  -7.581   5.631   2.752
  188    HA   ASP  27           HA       ASP  27 -10.299   6.856   2.661
  189   1HB   ASP  27           HB2      ASP  27 -11.116   4.796   1.780
  190   2HB   ASP  27           HB1      ASP  27  -9.614   5.123   0.914
  191    H    ASN  28           HN       ASN  28  -8.121   5.706   4.857
  192    HA   ASN  28           HA       ASN  28  -8.446   5.436   7.178
  193   1HB   ASN  28           HB2      ASN  28 -10.722   6.543   6.798
  194   2HB   ASN  28           HB1      ASN  28 -11.372   4.910   6.660
  195   1HD2  ASN  28          HD22      ASN  28 -11.607   5.894  10.251
  196   2HD2  ASN  28          HD21      ASN  28 -12.269   6.472   8.800
  197    H    LYS  29           HN       LYS  29  -7.613   3.348   5.460
  198    HA   LYS  29           HA       LYS  29  -8.627   1.055   7.056
  199   1HB   LYS  29           HB2      LYS  29  -8.837  -0.382   5.106
  200   2HB   LYS  29           HB1      LYS  29  -9.850   1.042   4.877
  201   1HG   LYS  29           HG2      LYS  29  -8.085   2.076   3.500
  202   2HG   LYS  29           HG1      LYS  29  -7.069   0.658   3.734
  203   1HD   LYS  29           HD2      LYS  29  -8.588   0.889   1.566
  204   2HD   LYS  29           HD1      LYS  29  -8.357  -0.674   2.341
  205   1HE   LYS  29           HE2      LYS  29 -10.477  -0.410   3.553
  206   2HE   LYS  29           HE1      LYS  29 -10.697   1.192   2.849
  207   1HZ   LYS  29           HZ2      LYS  29 -10.363  -1.228   1.183
  208   2HZ   LYS  29           HZ1      LYS  29 -11.887  -0.716   1.731
  209   3HZ   LYS  29           HZ3      LYS  29 -10.966   0.292   0.723
  210    H    THR  30           HN       THR  30  -7.030  -0.477   7.511
  211    HA   THR  30           HA       THR  30  -4.273   0.398   6.879
  212    HB   THR  30           HB       THR  30  -5.407  -1.618   8.831
  213    HG1  THR  30           HG1      THR  30  -5.481   0.633   9.334
  214   1HG2  THR  30          HG21      THR  30  -2.676  -1.314   7.740
  215   2HG2  THR  30          HG23      THR  30  -2.772  -1.369   9.502
  216   3HG2  THR  30          HG22      THR  30  -3.423  -2.697   8.541
  217    H    TYR  31           HN       TYR  31  -2.868  -0.771   5.636
  218    HA   TYR  31           HA       TYR  31  -3.966  -3.212   4.311
  219   1HB   TYR  31           HB2      TYR  31  -1.800  -1.262   3.477
  220   2HB   TYR  31           HB1      TYR  31  -2.173  -2.748   2.603
  221    HD1  TYR  31           HD2      TYR  31  -4.597  -3.097   1.803
  222    HD2  TYR  31           HD1      TYR  31  -3.061   0.698   3.095
  223    HE1  TYR  31           HE2      TYR  31  -6.443  -1.944   0.614
  224    HE2  TYR  31           HE1      TYR  31  -4.905   1.852   1.907
  225    HH   TYR  31           HH       TYR  31  -6.911   1.546   0.895
  226    H    GLY  32           HN       GLY  32  -3.155  -5.090   5.020
  227   1HA   GLY  32           HA2      GLY  32  -1.468  -5.640   7.048
  228   2HA   GLY  32           HA1      GLY  32  -1.494  -6.676   5.626
  229    H    ASN  33           HN       ASN  33  -0.150  -5.584   3.710
  230    HA   ASN  33           HA       ASN  33   2.280  -4.315   4.849
  231   1HB   ASN  33           HB2      ASN  33   3.753  -5.836   3.579
  232   2HB   ASN  33           HB1      ASN  33   2.804  -6.691   4.767
  233   1HD2  ASN  33          HD22      ASN  33   2.388  -8.774   1.807
  234   2HD2  ASN  33          HD21      ASN  33   3.515  -8.483   3.042
  235    H    LYS  34           HN       LYS  34   3.846  -4.256   2.657
  236    HA   LYS  34           HA       LYS  34   2.954  -2.051   1.247
  237   1HB   LYS  34           HB2      LYS  34   4.859  -2.362  -0.097
  238   2HB   LYS  34           HB1      LYS  34   5.292  -3.104   1.428
  239   1HG   LYS  34           HG2      LYS  34   4.595  -5.315   0.503
  240   2HG   LYS  34           HG1      LYS  34   4.312  -4.538  -1.055
  241   1HD   LYS  34           HD2      LYS  34   6.952  -3.982   0.152
  242   2HD   LYS  34           HD1      LYS  34   6.689  -5.660  -0.326
  243   1HE   LYS  34           HE2      LYS  34   7.572  -4.618  -2.266
  244   2HE   LYS  34           HE1      LYS  34   5.836  -4.709  -2.560
  245   1HZ   LYS  34           HZ3      LYS  34   6.740  -2.336  -1.168
  246   2HZ   LYS  34           HZ2      LYS  34   7.266  -2.470  -2.778
  247   3HZ   LYS  34           HZ1      LYS  34   5.606  -2.496  -2.418
  248    H    CYS  35           HN       CYS  35   2.807  -5.473   0.128
  249    HA   CYS  35           HA       CYS  35   1.629  -4.935  -2.373
  250   1HB   CYS  35           HB2      CYS  35   2.421  -7.154  -1.932
  251   2HB   CYS  35           HB1      CYS  35   1.383  -7.312  -0.515
  252    H    ASN  36           HN       ASN  36  -0.069  -5.905   0.638
  253    HA   ASN  36           HA       ASN  36  -2.688  -5.551  -0.297
  254   1HB   ASN  36           HB2      ASN  36  -1.442  -5.211   2.423
  255   2HB   ASN  36           HB1      ASN  36  -3.153  -4.865   2.176
  256   1HD2  ASN  36          HD22      ASN  36  -1.836  -8.739   2.011
  257   2HD2  ASN  36          HD21      ASN  36  -0.716  -7.465   1.990
  258    H    PHE  37           HN       PHE  37  -0.319  -3.106   0.630
  259    HA   PHE  37           HA       PHE  37  -2.243  -0.954   0.807
  260   1HB   PHE  37           HB2      PHE  37  -0.097  -0.638   1.826
  261   2HB   PHE  37           HB1      PHE  37   0.749  -0.848   0.422
  262    HD1  PHE  37           HD1      PHE  37  -2.401   0.933   0.876
  263    HD2  PHE  37           HD2      PHE  37   1.757   1.252  -0.009
  264    HE1  PHE  37           HE1      PHE  37  -2.737   3.316   0.258
  265    HE2  PHE  37           HE2      PHE  37   1.453   3.641  -0.631
  266    HZ   PHE  37           HZ       PHE  37  -0.812   4.668  -0.509
  267    H    CYS  38           HN       CYS  38   0.250  -1.474  -1.613
  268    HA   CYS  38           HA       CYS  38  -0.719   0.371  -3.479
  269   1HB   CYS  38           HB2      CYS  38   1.497  -0.778  -3.654
  270   2HB   CYS  38           HB1      CYS  38   0.656  -2.224  -4.217
  271    H    ASN  39           HN       ASN  39  -1.314  -3.182  -3.528
  272    HA   ASN  39           HA       ASN  39  -3.023  -3.470  -5.644
  273   1HB   ASN  39           HB2      ASN  39  -3.525  -4.511  -2.836
  274   2HB   ASN  39           HB1      ASN  39  -4.337  -5.107  -4.286
  275   1HD2  ASN  39          HD22      ASN  39  -1.701  -7.484  -4.427
  276   2HD2  ASN  39          HD21      ASN  39  -3.352  -7.242  -4.117
  277    H    ALA  40           HN       ALA  40  -3.694  -1.750  -2.675
  278    HA   ALA  40           HA       ALA  40  -6.496  -1.271  -3.242
  279   1HB   ALA  40           HB2      ALA  40  -4.604  -0.666  -1.138
  280   2HB   ALA  40           HB1      ALA  40  -5.479   0.798  -1.588
  281   3HB   ALA  40           HB3      ALA  40  -6.365  -0.637  -1.072
  282    H    VAL  41           HN       VAL  41  -3.581   0.801  -3.369
  283    HA   VAL  41           HA       VAL  41  -4.703   3.076  -4.581
  284    HB   VAL  41           HB       VAL  41  -1.982   1.863  -5.162
  285   1HG1  VAL  41          HG12      VAL  41  -3.202   4.587  -5.570
  286   2HG1  VAL  41          HG11      VAL  41  -1.462   4.405  -5.358
  287   3HG1  VAL  41          HG13      VAL  41  -2.273   3.612  -6.708
  288   1HG2  VAL  41          HG21      VAL  41  -3.012   2.600  -2.698
  289   2HG2  VAL  41          HG23      VAL  41  -1.297   2.525  -3.106
  290   3HG2  VAL  41          HG22      VAL  41  -2.165   4.055  -3.223
  291    H    VAL  42           HN       VAL  42  -3.183   0.299  -6.234
  292    HA   VAL  42           HA       VAL  42  -3.730   1.085  -8.888
  293    HB   VAL  42           HB       VAL  42  -3.395  -1.320  -9.430
  294   1HG1  VAL  42          HG12      VAL  42  -1.576   0.432  -8.288
  295   2HG1  VAL  42          HG11      VAL  42  -1.372  -1.040  -7.337
  296   3HG1  VAL  42          HG13      VAL  42  -1.173  -1.088  -9.088
  297   1HG2  VAL  42          HG21      VAL  42  -3.767  -1.554  -6.455
  298   2HG2  VAL  42          HG23      VAL  42  -4.489  -2.524  -7.739
  299   3HG2  VAL  42          HG22      VAL  42  -2.787  -2.733  -7.325
  300    H    GLU  43           HN       GLU  43  -5.733  -0.719  -6.569
  301    HA   GLU  43           HA       GLU  43  -7.811  -1.106  -8.639
  302   1HB   GLU  43           HB2      GLU  43  -7.059  -2.661  -6.505
  303   2HB   GLU  43           HB1      GLU  43  -8.473  -1.845  -5.873
  304   1HG   GLU  43           HG2      GLU  43  -8.945  -2.686  -8.597
  305   2HG   GLU  43           HG1      GLU  43  -8.447  -4.055  -7.603
  306    H    SER  44           HN       SER  44  -6.984   1.492  -6.897
  307    HA   SER  44           HA       SER  44  -9.843   2.242  -6.399
  308   1HB   SER  44           HB2      SER  44  -9.244   2.945  -4.346
  309   2HB   SER  44           HB1      SER  44  -7.619   2.338  -4.635
  310    HG   SER  44           HG       SER  44  -8.153   4.761  -4.220
  311    H    ASN  45           HN       ASN  45  -7.840   2.550  -8.784
  312    HA   ASN  45           HA       ASN  45  -7.701   4.154 -10.507
  313   1HB   ASN  45           HB2      ASN  45 -10.012   4.893  -9.105
  314   2HB   ASN  45           HB1      ASN  45  -9.037   6.359  -9.152
  315   1HD2  ASN  45          HD22      ASN  45 -10.070   6.966 -12.454
  316   2HD2  ASN  45          HD21      ASN  45  -9.752   7.583 -10.905
  317    H    GLY  46           HN       GLY  46  -6.382   4.266  -7.531
  318   1HA   GLY  46           HA2      GLY  46  -4.455   5.322  -6.742
  319   2HA   GLY  46           HA1      GLY  46  -4.304   6.128  -8.294
  320    H    THR  47           HN       THR  47  -7.383   6.594  -6.941
  321    HA   THR  47           HA       THR  47  -6.782   9.413  -6.417
  322    HB   THR  47           HB       THR  47  -8.936   8.900  -7.400
  323    HG1  THR  47           HG1      THR  47  -8.649  10.354  -5.365
  324   1HG2  THR  47          HG22      THR  47  -8.809   6.688  -5.564
  325   2HG2  THR  47          HG21      THR  47 -10.316   7.567  -5.316
  326   3HG2  THR  47          HG23      THR  47  -9.916   6.937  -6.914
  327    H    LEU  48           HN       LEU  48  -6.344   6.626  -4.679
  328    HA   LEU  48           HA       LEU  48  -7.199   7.514  -2.060
  329   1HB   LEU  48           HB2      LEU  48  -7.203   5.194  -2.276
  330   2HB   LEU  48           HB1      LEU  48  -5.760   5.185  -3.280
  331    HG   LEU  48           HG       LEU  48  -4.926   6.200  -0.786
  332   1HD1  LEU  48          HD13      LEU  48  -7.264   4.609  -0.509
  333   2HD1  LEU  48          HD12      LEU  48  -5.886   3.725   0.150
  334   3HD1  LEU  48          HD11      LEU  48  -6.270   5.339   0.750
  335   1HD2  LEU  48          HD21      LEU  48  -4.450   3.919  -2.539
  336   2HD2  LEU  48          HD23      LEU  48  -3.308   4.823  -1.545
  337   3HD2  LEU  48          HD22      LEU  48  -4.242   3.506  -0.838
  338    H    THR  49           HN       THR  49  -4.034   6.320  -2.787
  339    HA   THR  49           HA       THR  49  -1.913   7.291  -2.677
  340    HB   THR  49           HB       THR  49  -1.560   9.513  -2.202
  341    HG1  THR  49           HG1      THR  49  -2.421   9.915  -0.295
  342   1HG2  THR  49          HG23      THR  49  -3.690   8.882  -3.921
  343   2HG2  THR  49          HG22      THR  49  -4.198  10.320  -3.036
  344   3HG2  THR  49          HG21      THR  49  -2.692  10.336  -3.954
  345    H    LEU  50           HN       LEU  50  -0.492   6.864  -1.026
  346    HA   LEU  50           HA       LEU  50  -1.368   5.444   1.200
  347   1HB   LEU  50           HB2      LEU  50   0.878   5.148   0.672
  348   2HB   LEU  50           HB1      LEU  50   1.156   6.864   0.406
  349    HG   LEU  50           HG       LEU  50   0.809   7.133   2.945
  350   1HD1  LEU  50          HD13      LEU  50  -0.081   4.636   2.927
  351   2HD1  LEU  50          HD12      LEU  50   1.635   4.257   3.075
  352   3HD1  LEU  50          HD11      LEU  50   0.842   5.245   4.302
  353   1HD2  LEU  50          HD21      LEU  50   3.071   6.134   1.375
  354   2HD2  LEU  50          HD23      LEU  50   3.014   7.442   2.556
  355   3HD2  LEU  50          HD22      LEU  50   3.212   5.775   3.096
  356    H    SER  51           HN       SER  51  -1.165   6.170   3.533
  357    HA   SER  51           HA       SER  51  -2.081   8.956   3.864
  358   1HB   SER  51           HB2      SER  51  -3.242   8.125   5.721
  359   2HB   SER  51           HB1      SER  51  -3.592   6.951   4.546
  360    HG   SER  51           HG       SER  51  -2.607   6.618   6.874
  361    H    HIS  52           HN       HIS  52  -0.298   6.319   5.336
  362    HA   HIS  52           HA       HIS  52   2.024   7.897   6.013
  363   1HB   HIS  52           HB2      HIS  52   1.795   7.860   8.443
  364   2HB   HIS  52           HB1      HIS  52   0.383   8.677   7.763
  365    HD1  HIS  52           HD1      HIS  52   0.289   7.161  10.532
  366    HD2  HIS  52           HD2      HIS  52  -0.922   5.553   6.874
  367    HE1  HIS  52           HE1      HIS  52  -1.320   5.270  11.056
  368    H    PHE  53           HN       PHE  53   3.727   6.477   6.756
  369    HA   PHE  53           HA       PHE  53   3.302   3.685   6.084
  370   1HB   PHE  53           HB2      PHE  53   5.650   5.167   7.279
  371   2HB   PHE  53           HB1      PHE  53   5.666   3.435   6.943
  372    HD1  PHE  53           HD2      PHE  53   5.438   6.799   5.447
  373    HD2  PHE  53           HD1      PHE  53   5.714   2.584   4.677
  374    HE1  PHE  53           HE2      PHE  53   5.923   7.267   3.067
  375    HE2  PHE  53           HE1      PHE  53   6.206   3.051   2.291
  376    HZ   PHE  53           HZ       PHE  53   6.309   5.395   1.484
  377    H    GLY  54           HN       GLY  54   2.198   2.409   7.433
  378   1HA   GLY  54           HA2      GLY  54   2.743   1.217   9.679
  379   2HA   GLY  54           HA1      GLY  54   2.396   2.783  10.347
  380    H    LYS  55           HN       LYS  55   0.679   1.139  11.323
  381    HA   LYS  55           HA       LYS  55  -1.653   0.762   9.658
  382   1HB   LYS  55           HB2      LYS  55  -1.176  -0.984  11.220
  383   2HB   LYS  55           HB1      LYS  55  -0.847   0.176  12.500
  384   1HG   LYS  55           HG2      LYS  55  -2.947   0.408  13.050
  385   2HG   LYS  55           HG1      LYS  55  -3.460   0.519  11.377
  386   1HD   LYS  55           HD2      LYS  55  -3.660  -1.821  11.141
  387   2HD   LYS  55           HD1      LYS  55  -2.652  -2.131  12.555
  388   1HE   LYS  55           HE2      LYS  55  -4.969  -0.541  13.273
  389   2HE   LYS  55           HE1      LYS  55  -5.457  -2.041  12.485
  390   1HZ   LYS  55           HZ2      LYS  55  -3.976  -3.237  14.021
  391   2HZ   LYS  55           HZ1      LYS  55  -3.650  -1.777  14.825
  392   3HZ   LYS  55           HZ3      LYS  55  -5.222  -2.412  14.828
  393    H    CYS  56           HN       CYS  56  -3.660   1.904  10.140
  394    HA   CYS  56           HA       CYS  56  -3.341   4.665  10.863
  395   1HB   CYS  56           HB2      CYS  56  -5.565   2.890  10.078
  396   2HB   CYS  56           HB1      CYS  56  -6.032   4.231  11.124
   
  No H/Q in entry =         396
  Start of MODEL          31
 Raw file had  401 H/Q atoms
  Start of MODEL   31
    1   1H    LEU   1           HT3      LEU   1   4.011  18.217   3.141
    2   2H    LEU   1           HT2      LEU   1   4.515  18.914   1.677
    3   3H    LEU   1           HT1      LEU   1   2.896  18.441   1.882
    4    HA   LEU   1           HA       LEU   1   3.418  16.170   1.824
    5   1HB   LEU   1           HB2      LEU   1   4.398  17.965  -0.251
    6   2HB   LEU   1           HB1      LEU   1   5.294  16.445  -0.230
    7    HG   LEU   1           HG       LEU   1   3.196  16.443  -1.670
    8   1HD1  LEU   1          HD13      LEU   1   3.900  14.519   0.487
    9   2HD1  LEU   1          HD12      LEU   1   2.343  14.276  -0.304
   10   3HD1  LEU   1          HD11      LEU   1   3.826  14.274  -1.258
   11   1HD2  LEU   1          HD22      LEU   1   1.995  17.736   0.326
   12   2HD2  LEU   1          HD21      LEU   1   1.089  16.639  -0.715
   13   3HD2  LEU   1          HD23      LEU   1   1.644  16.096   0.869
   14    H    ALA   2           HN       ALA   2   4.556  15.265   3.544
   15    HA   ALA   2           HA       ALA   2   7.437  15.800   3.836
   16   1HB   ALA   2           HB2      ALA   2   5.304  14.657   5.478
   17   2HB   ALA   2           HB1      ALA   2   6.790  13.711   5.553
   18   3HB   ALA   2           HB3      ALA   2   6.812  15.423   5.977
   19    H    ALA   3           HN       ALA   3   6.915  14.642   1.358
   20    HA   ALA   3           HA       ALA   3   7.446  12.786   0.013
   21   1HB   ALA   3           HB3      ALA   3   9.582  13.391   1.703
   22   2HB   ALA   3           HB2      ALA   3   9.392  11.645   1.862
   23   3HB   ALA   3           HB1      ALA   3   9.649  12.363   0.272
   24    H    VAL   4           HN       VAL   4   5.183  12.229   1.415
   25    HA   VAL   4           HA       VAL   4   5.638   9.496   2.536
   26    HB   VAL   4           HB       VAL   4   3.285  11.375   2.909
   27   1HG1  VAL   4          HG13      VAL   4   2.806   8.876   2.945
   28   2HG1  VAL   4          HG12      VAL   4   3.878   8.775   4.342
   29   3HG1  VAL   4          HG11      VAL   4   2.406   9.740   4.430
   30   1HG2  VAL   4          HG21      VAL   4   5.747  11.577   4.069
   31   2HG2  VAL   4          HG23      VAL   4   4.251  12.076   4.857
   32   3HG2  VAL   4          HG22      VAL   4   4.941  10.490   5.200
   33    H    SER   5           HN       SER   5   5.766   8.856   0.169
   34    HA   SER   5           HA       SER   5   3.109   7.955  -0.702
   35   1HB   SER   5           HB2      SER   5   4.082  10.344  -1.761
   36   2HB   SER   5           HB1      SER   5   4.503   9.142  -2.977
   37    HG   SER   5           HG       SER   5   2.098  10.180  -2.349
   38    H    VAL   6           HN       VAL   6   3.432   6.608  -2.823
   39    HA   VAL   6           HA       VAL   6   6.155   5.481  -3.062
   40    HB   VAL   6           HB       VAL   6   4.804   4.263  -1.228
   41   1HG1  VAL   6          HG13      VAL   6   2.908   4.142  -3.265
   42   2HG1  VAL   6          HG12      VAL   6   3.579   2.512  -3.205
   43   3HG1  VAL   6          HG11      VAL   6   2.873   3.229  -1.756
   44   1HG2  VAL   6          HG23      VAL   6   6.811   3.450  -2.809
   45   2HG2  VAL   6          HG22      VAL   6   6.054   2.381  -1.627
   46   3HG2  VAL   6          HG21      VAL   6   5.577   2.300  -3.324
   47    H    ASP   7           HN       ASP   7   5.876   3.501  -4.746
   48    HA   ASP   7           HA       ASP   7   4.177   4.566  -6.968
   49   1HB   ASP   7           HB2      ASP   7   6.490   4.781  -7.578
   50   2HB   ASP   7           HB1      ASP   7   6.855   3.150  -7.013
   51    H    CYS   8           HN       CYS   8   2.858   3.078  -8.070
   52    HA   CYS   8           HA       CYS   8   3.089   0.207  -7.368
   53   1HB   CYS   8           HB2      CYS   8   0.449   1.641  -7.052
   54   2HB   CYS   8           HB1      CYS   8   0.876   0.014  -6.521
   55    H    SER   9           HN       SER   9   3.693   1.119  -9.843
   56    HA   SER   9           HA       SER   9   1.263   0.991 -11.522
   57   1HB   SER   9           HB2      SER   9   2.906   2.613 -12.209
   58   2HB   SER   9           HB1      SER   9   4.195   1.415 -12.159
   59    HG   SER   9           HG       SER   9   1.905   1.241 -13.829
   60    H    GLU  10           HN       GLU  10   2.302  -1.352  -9.929
   61    HA   GLU  10           HA       GLU  10   2.346  -3.275 -12.200
   62   1HB   GLU  10           HB2      GLU  10   4.201  -3.629  -9.845
   63   2HB   GLU  10           HB1      GLU  10   4.244  -4.449 -11.406
   64   1HG   GLU  10           HG2      GLU  10   5.975  -2.852 -11.573
   65   2HG   GLU  10           HG1      GLU  10   4.622  -2.085 -12.403
   66    H    TYR  11           HN       TYR  11   0.402  -2.423 -10.019
   67    HA   TYR  11           HA       TYR  11   0.091  -5.045  -8.674
   68   1HB   TYR  11           HB2      TYR  11  -0.721  -2.231  -7.925
   69   2HB   TYR  11           HB1      TYR  11  -1.375  -3.636  -7.092
   70    HD1  TYR  11           HD2      TYR  11   1.695  -1.729  -7.848
   71    HD2  TYR  11           HD1      TYR  11   0.019  -5.004  -5.633
   72    HE1  TYR  11           HE2      TYR  11   3.773  -1.885  -6.506
   73    HE2  TYR  11           HE1      TYR  11   2.102  -5.163  -4.291
   74    HH   TYR  11           HH       TYR  11   4.940  -3.229  -5.078
   75    HA   PRO  12           HA       PRO  12  -1.795  -5.383  -7.223
   76   1HB   PRO  12           HB2      PRO  12  -3.199  -7.747  -7.306
   77   2HB   PRO  12           HB1      PRO  12  -3.936  -6.184  -6.905
   78   1HG   PRO  12           HG2      PRO  12  -4.086  -7.734  -9.462
   79   2HG   PRO  12           HG1      PRO  12  -5.281  -6.642  -8.742
   80   1HD   PRO  12           HD2      PRO  12  -3.557  -5.952 -10.843
   81   2HD   PRO  12           HD1      PRO  12  -4.415  -4.821  -9.817
   82    H    LYS  13           HN       LYS  13  -1.313  -7.917  -6.534
   83    HA   LYS  13           HA       LYS  13   0.638  -8.997  -8.525
   84   1HB   LYS  13           HB2      LYS  13   1.190  -7.770  -6.011
   85   2HB   LYS  13           HB1      LYS  13   1.518  -9.491  -5.846
   86   1HG   LYS  13           HG2      LYS  13   2.764  -9.239  -8.118
   87   2HG   LYS  13           HG1      LYS  13   2.753  -7.515  -7.751
   88   1HD   LYS  13           HD2      LYS  13   3.602  -8.466  -5.371
   89   2HD   LYS  13           HD1      LYS  13   4.246  -9.720  -6.432
   90   1HE   LYS  13           HE2      LYS  13   4.732  -7.169  -7.645
   91   2HE   LYS  13           HE1      LYS  13   5.294  -7.111  -5.974
   92   1HZ   LYS  13           HZ2      LYS  13   5.939  -9.396  -7.730
   93   2HZ   LYS  13           HZ1      LYS  13   6.889  -7.987  -7.738
   94   3HZ   LYS  13           HZ3      LYS  13   6.727  -8.891  -6.312
   95    HA   PRO  14           HA       PRO  14  -1.426 -12.789  -7.561
   96   1HB   PRO  14           HB2      PRO  14   0.428 -14.492  -8.661
   97   2HB   PRO  14           HB1      PRO  14  -0.713 -13.533  -9.620
   98   1HG   PRO  14           HG2      PRO  14   2.208 -13.109  -9.196
   99   2HG   PRO  14           HG1      PRO  14   1.192 -12.629 -10.564
  100   1HD   PRO  14           HD2      PRO  14   2.099 -10.926  -8.525
  101   2HD   PRO  14           HD1      PRO  14   0.804 -10.563  -9.648
  102    H    ALA  15           HN       ALA  15   0.911 -11.619  -5.763
  103    HA   ALA  15           HA       ALA  15   0.790 -13.482  -3.660
  104   1HB   ALA  15           HB2      ALA  15   2.456 -14.419  -5.761
  105   2HB   ALA  15           HB1      ALA  15   3.530 -13.904  -4.459
  106   3HB   ALA  15           HB3      ALA  15   2.278 -15.107  -4.147
  107    H    CYS  16           HN       CYS  16   1.715 -12.491  -1.831
  108    HA   CYS  16           HA       CYS  16   3.679 -10.314  -2.371
  109   1HB   CYS  16           HB2      CYS  16   1.355  -9.980  -0.459
  110   2HB   CYS  16           HB1      CYS  16   2.522  -8.768  -0.961
  111    H    THR  17           HN       THR  17   5.440 -10.680  -1.162
  112    HA   THR  17           HA       THR  17   5.229 -12.244   1.340
  113    HB   THR  17           HB       THR  17   7.745 -11.802   1.435
  114    HG1  THR  17           HG1      THR  17   8.603 -11.133  -0.611
  115   1HG2  THR  17          HG23      THR  17   6.444 -13.821   0.333
  116   2HG2  THR  17          HG22      THR  17   7.048 -13.130  -1.173
  117   3HG2  THR  17          HG21      THR  17   8.181 -13.647   0.076
  118    H    LEU  18           HN       LEU  18   7.642 -10.003   1.745
  119    HA   LEU  18           HA       LEU  18   7.773  -8.151   3.111
  120   1HB   LEU  18           HB2      LEU  18   5.270  -7.698   1.531
  121   2HB   LEU  18           HB1      LEU  18   5.720  -6.573   2.814
  122    HG   LEU  18           HG       LEU  18   8.098  -7.003   1.425
  123   1HD1  LEU  18          HD12      LEU  18   5.909  -7.627  -0.299
  124   2HD1  LEU  18          HD11      LEU  18   6.582  -6.082  -0.819
  125   3HD1  LEU  18          HD13      LEU  18   7.619  -7.504  -0.714
  126   1HD2  LEU  18          HD22      LEU  18   7.127  -4.891   2.422
  127   2HD2  LEU  18          HD21      LEU  18   7.876  -4.670   0.840
  128   3HD2  LEU  18          HD23      LEU  18   6.122  -4.754   0.980
  129    H    GLU  19           HN       GLU  19   7.746  -9.187   4.989
  130    HA   GLU  19           HA       GLU  19   5.759 -10.500   6.393
  131   1HB   GLU  19           HB2      GLU  19   7.449  -8.457   7.832
  132   2HB   GLU  19           HB1      GLU  19   6.935 -10.049   8.391
  133   1HG   GLU  19           HG2      GLU  19   9.021 -10.690   7.748
  134   2HG   GLU  19           HG1      GLU  19   8.316 -10.716   6.131
  135    H    TYR  20           HN       TYR  20   5.070  -9.014   8.758
  136    HA   TYR  20           HA       TYR  20   2.845  -7.540   7.604
  137   1HB   TYR  20           HB2      TYR  20   2.803  -8.968   9.759
  138   2HB   TYR  20           HB1      TYR  20   3.466  -7.532  10.543
  139    HD1  TYR  20           HD2      TYR  20   1.024  -7.798   7.705
  140    HD2  TYR  20           HD1      TYR  20   1.683  -6.610  11.784
  141    HE1  TYR  20           HE2      TYR  20  -1.224  -6.753   7.757
  142    HE2  TYR  20           HE1      TYR  20  -0.569  -5.572  11.839
  143    HH   TYR  20           HH       TYR  20  -2.580  -5.382   8.930
  144    H    ARG  21           HN       ARG  21   3.907  -5.842   6.536
  145    HA   ARG  21           HA       ARG  21   4.828  -3.627   8.335
  146   1HB   ARG  21           HB2      ARG  21   5.455  -3.638   5.400
  147   2HB   ARG  21           HB1      ARG  21   6.394  -2.971   6.737
  148   1HG   ARG  21           HG2      ARG  21   6.807  -5.377   7.481
  149   2HG   ARG  21           HG1      ARG  21   6.129  -5.878   5.933
  150   1HD   ARG  21           HD2      ARG  21   8.524  -5.763   5.673
  151   2HD   ARG  21           HD1      ARG  21   7.830  -4.397   4.802
  152    HE   ARG  21           HE       ARG  21   8.668  -3.866   7.582
  153   1HH1  ARG  21          HH21      ARG  21   9.856  -4.229   4.403
  154   2HH1  ARG  21          HH22      ARG  21  10.819  -2.789   4.439
  155   1HH2  ARG  21          HH11      ARG  21   9.689  -1.793   7.561
  156   2HH2  ARG  21          HH12      ARG  21  10.727  -1.413   6.227
  157    HA   PRO  22           HA       PRO  22   0.633  -2.927   6.501
  158   1HB   PRO  22           HB2      PRO  22  -0.262  -1.592   8.756
  159   2HB   PRO  22           HB1      PRO  22  -0.409  -3.350   8.479
  160   1HG   PRO  22           HG2      PRO  22   1.533  -1.842  10.192
  161   2HG   PRO  22           HG1      PRO  22   0.852  -3.460  10.429
  162   1HD   PRO  22           HD2      PRO  22   3.417  -2.999   9.498
  163   2HD   PRO  22           HD1      PRO  22   2.491  -4.477   9.156
  164    H    LEU  23           HN       LEU  23   0.257  -1.271   5.148
  165    HA   LEU  23           HA       LEU  23   1.307   1.415   5.921
  166   1HB   LEU  23           HB2      LEU  23   0.519   0.105   3.304
  167   2HB   LEU  23           HB1      LEU  23   0.708   1.852   3.435
  168    HG   LEU  23           HG       LEU  23   3.017   1.281   4.509
  169   1HD1  LEU  23          HD11      LEU  23   2.279  -1.233   4.469
  170   2HD1  LEU  23          HD13      LEU  23   2.746  -1.152   2.779
  171   3HD1  LEU  23          HD12      LEU  23   3.935  -0.825   4.031
  172   1HD2  LEU  23          HD23      LEU  23   2.527   2.310   2.235
  173   2HD2  LEU  23          HD22      LEU  23   4.042   1.414   2.347
  174   3HD2  LEU  23          HD21      LEU  23   2.639   0.682   1.569
  175    H    CYS  24           HN       CYS  24  -0.430   3.233   5.572
  176    HA   CYS  24           HA       CYS  24  -3.181   2.070   5.645
  177   1HB   CYS  24           HB2      CYS  24  -1.996   2.919   7.946
  178   2HB   CYS  24           HB1      CYS  24  -2.817   4.388   7.436
  179    H    GLY  25           HN       GLY  25  -4.646   3.143   4.437
  180   1HA   GLY  25           HA2      GLY  25  -3.760   5.399   2.848
  181   2HA   GLY  25           HA1      GLY  25  -5.210   4.620   2.697
  182    H    SER  26           HN       SER  26  -5.139   7.305   2.486
  183    HA   SER  26           HA       SER  26  -5.485   8.775   4.909
  184   1HB   SER  26           HB2      SER  26  -5.041   9.737   2.615
  185   2HB   SER  26           HB1      SER  26  -6.721   9.396   2.210
  186    HG   SER  26           HG       SER  26  -5.669  11.428   3.642
  187    H    ASP  27           HN       ASP  27  -7.688   6.715   3.130
  188    HA   ASP  27           HA       ASP  27 -10.056   7.836   4.467
  189   1HB   ASP  27           HB2      ASP  27 -11.281   6.029   3.322
  190   2HB   ASP  27           HB1      ASP  27 -10.250   6.900   2.186
  191    H    ASN  28           HN       ASN  28  -7.596   6.185   5.671
  192    HA   ASN  28           HA       ASN  28  -7.369   5.008   7.685
  193   1HB   ASN  28           HB2      ASN  28  -9.495   6.261   8.344
  194   2HB   ASN  28           HB1      ASN  28 -10.389   4.848   7.789
  195   1HD2  ASN  28          HD22      ASN  28  -8.591   4.757  11.400
  196   2HD2  ASN  28          HD21      ASN  28  -8.625   6.162  10.449
  197    H    LYS  29           HN       LYS  29  -7.572   3.766   5.011
  198    HA   LYS  29           HA       LYS  29  -8.768   1.131   5.729
  199   1HB   LYS  29           HB2      LYS  29  -8.356   0.594   3.286
  200   2HB   LYS  29           HB1      LYS  29  -9.518   1.889   3.567
  201   1HG   LYS  29           HG2      LYS  29  -7.729   3.560   3.181
  202   2HG   LYS  29           HG1      LYS  29  -6.589   2.255   2.863
  203   1HD   LYS  29           HD2      LYS  29  -9.168   2.464   1.317
  204   2HD   LYS  29           HD1      LYS  29  -7.738   3.374   0.827
  205   1HE   LYS  29           HE2      LYS  29  -6.511   1.445   0.342
  206   2HE   LYS  29           HE1      LYS  29  -7.506   0.431   1.388
  207   1HZ   LYS  29           HZ1      LYS  29  -8.546   1.718  -1.069
  208   2HZ   LYS  29           HZ3      LYS  29  -7.880   0.158  -1.059
  209   3HZ   LYS  29           HZ2      LYS  29  -9.274   0.491  -0.147
  210    H    THR  30           HN       THR  30  -7.180   0.203   7.025
  211    HA   THR  30           HA       THR  30  -4.361   0.421   6.445
  212    HB   THR  30           HB       THR  30  -5.900  -1.514   8.197
  213    HG1  THR  30           HG1      THR  30  -5.934   0.290   9.289
  214   1HG2  THR  30          HG23      THR  30  -2.927  -1.133   7.765
  215   2HG2  THR  30          HG22      THR  30  -3.591  -1.924   9.195
  216   3HG2  THR  30          HG21      THR  30  -3.859  -2.622   7.597
  217    H    TYR  31           HN       TYR  31  -3.309  -0.605   4.844
  218    HA   TYR  31           HA       TYR  31  -4.491  -3.063   3.711
  219   1HB   TYR  31           HB2      TYR  31  -2.161  -2.296   2.284
  220   2HB   TYR  31           HB1      TYR  31  -3.810  -2.199   1.752
  221    HD1  TYR  31           HD2      TYR  31  -1.149  -0.463   3.400
  222    HD2  TYR  31           HD1      TYR  31  -5.011  -0.020   1.668
  223    HE1  TYR  31           HE2      TYR  31  -0.914   2.034   3.406
  224    HE2  TYR  31           HE1      TYR  31  -4.776   2.431   1.671
  225    HH   TYR  31           HH       TYR  31  -3.081   4.078   1.720
  226    H    GLY  32           HN       GLY  32  -3.511  -5.022   4.105
  227   1HA   GLY  32           HA2      GLY  32  -2.080  -5.783   6.166
  228   2HA   GLY  32           HA1      GLY  32  -1.691  -6.519   4.627
  229    H    ASN  33           HN       ASN  33  -0.322  -4.606   3.301
  230    HA   ASN  33           HA       ASN  33   1.568  -3.188   4.921
  231   1HB   ASN  33           HB2      ASN  33   3.553  -4.510   4.466
  232   2HB   ASN  33           HB1      ASN  33   2.363  -5.555   5.221
  233   1HD2  ASN  33          HD22      ASN  33   3.624  -7.440   2.323
  234   2HD2  ASN  33          HD21      ASN  33   4.212  -6.896   3.819
  235    H    LYS  34           HN       LYS  34   3.625  -3.861   2.689
  236    HA   LYS  34           HA       LYS  34   2.929  -1.610   1.085
  237   1HB   LYS  34           HB2      LYS  34   5.130  -1.728   0.709
  238   2HB   LYS  34           HB1      LYS  34   5.189  -3.275   1.530
  239   1HG   LYS  34           HG2      LYS  34   4.930  -4.487  -0.492
  240   2HG   LYS  34           HG1      LYS  34   4.381  -3.062  -1.374
  241   1HD   LYS  34           HD2      LYS  34   6.842  -2.263  -0.433
  242   2HD   LYS  34           HD1      LYS  34   7.110  -3.969  -0.790
  243   1HE   LYS  34           HE2      LYS  34   7.584  -2.656  -2.791
  244   2HE   LYS  34           HE1      LYS  34   6.124  -3.610  -3.057
  245   1HZ   LYS  34           HZ2      LYS  34   5.218  -1.297  -1.935
  246   2HZ   LYS  34           HZ1      LYS  34   6.450  -0.771  -2.980
  247   3HZ   LYS  34           HZ3      LYS  34   5.161  -1.693  -3.586
  248    H    CYS  35           HN       CYS  35   3.280  -5.035  -0.001
  249    HA   CYS  35           HA       CYS  35   2.186  -4.693  -2.527
  250   1HB   CYS  35           HB2      CYS  35   3.188  -6.809  -1.567
  251   2HB   CYS  35           HB1      CYS  35   1.629  -7.105  -0.797
  252    H    ASN  36           HN       ASN  36   0.406  -5.278   0.506
  253    HA   ASN  36           HA       ASN  36  -2.171  -5.360  -0.783
  254   1HB   ASN  36           HB2      ASN  36  -1.440  -4.673   2.076
  255   2HB   ASN  36           HB1      ASN  36  -3.081  -4.931   1.495
  256   1HD2  ASN  36          HD22      ASN  36  -0.595  -8.211   1.714
  257   2HD2  ASN  36          HD21      ASN  36   0.084  -6.668   1.657
  258    H    PHE  37           HN       PHE  37  -0.129  -2.794   0.506
  259    HA   PHE  37           HA       PHE  37  -2.171  -0.782   0.418
  260   1HB   PHE  37           HB2      PHE  37  -0.147  -0.339   1.649
  261   2HB   PHE  37           HB1      PHE  37   0.831  -0.460   0.346
  262    HD1  PHE  37           HD1      PHE  37  -2.466   1.031   0.490
  263    HD2  PHE  37           HD2      PHE  37   1.703   1.744   0.031
  264    HE1  PHE  37           HE1      PHE  37  -2.984   3.386  -0.033
  265    HE2  PHE  37           HE2      PHE  37   1.237   4.118  -0.545
  266    HZ   PHE  37           HZ       PHE  37  -1.111   4.954  -0.582
  267    H    CYS  38           HN       CYS  38   0.636  -1.081  -1.638
  268    HA   CYS  38           HA       CYS  38  -0.016   0.575  -3.726
  269   1HB   CYS  38           HB2      CYS  38   1.488  -1.993  -3.557
  270   2HB   CYS  38           HB1      CYS  38   1.035  -1.436  -5.166
  271    H    ASN  39           HN       ASN  39  -1.380  -2.609  -3.038
  272    HA   ASN  39           HA       ASN  39  -2.863  -2.888  -5.479
  273   1HB   ASN  39           HB2      ASN  39  -3.380  -3.819  -2.635
  274   2HB   ASN  39           HB1      ASN  39  -4.496  -4.179  -3.952
  275   1HD2  ASN  39          HD22      ASN  39  -1.908  -6.929  -3.591
  276   2HD2  ASN  39          HD21      ASN  39  -2.933  -6.177  -2.467
  277    H    ALA  40           HN       ALA  40  -3.833  -1.676  -2.285
  278    HA   ALA  40           HA       ALA  40  -6.326  -0.564  -2.850
  279   1HB   ALA  40           HB3      ALA  40  -4.176  -0.092  -0.880
  280   2HB   ALA  40           HB2      ALA  40  -5.206   1.311  -1.157
  281   3HB   ALA  40           HB1      ALA  40  -5.917  -0.214  -0.629
  282    H    VAL  41           HN       VAL  41  -3.185   0.502  -3.905
  283    HA   VAL  41           HA       VAL  41  -4.103   3.192  -4.662
  284    HB   VAL  41           HB       VAL  41  -1.510   1.666  -4.973
  285   1HG1  VAL  41          HG11      VAL  41  -2.385   4.248  -6.244
  286   2HG1  VAL  41          HG13      VAL  41  -0.697   4.020  -5.787
  287   3HG1  VAL  41          HG12      VAL  41  -1.453   2.925  -6.943
  288   1HG2  VAL  41          HG23      VAL  41  -2.285   2.788  -2.779
  289   2HG2  VAL  41          HG22      VAL  41  -0.672   3.188  -3.367
  290   3HG2  VAL  41          HG21      VAL  41  -2.005   4.316  -3.615
  291    H    VAL  42           HN       VAL  42  -3.290   0.133  -6.295
  292    HA   VAL  42           HA       VAL  42  -3.837   1.291  -8.927
  293    HB   VAL  42           HB       VAL  42  -2.065  -0.295  -8.876
  294   1HG1  VAL  42          HG13      VAL  42  -3.926  -1.780  -7.084
  295   2HG1  VAL  42          HG12      VAL  42  -2.833  -2.734  -8.087
  296   3HG1  VAL  42          HG11      VAL  42  -2.183  -1.549  -6.955
  297   1HG2  VAL  42          HG21      VAL  42  -4.117  -0.577 -10.571
  298   2HG2  VAL  42          HG23      VAL  42  -2.723  -1.659 -10.598
  299   3HG2  VAL  42          HG22      VAL  42  -4.207  -2.152  -9.779
  300    H    GLU  43           HN       GLU  43  -5.737   0.082  -6.451
  301    HA   GLU  43           HA       GLU  43  -7.746  -1.169  -8.197
  302   1HB   GLU  43           HB2      GLU  43  -8.928  -1.350  -5.927
  303   2HB   GLU  43           HB1      GLU  43  -7.492  -2.307  -6.104
  304   1HG   GLU  43           HG2      GLU  43  -6.531  -1.214  -4.421
  305   2HG   GLU  43           HG1      GLU  43  -6.882   0.352  -5.153
  306    H    SER  44           HN       SER  44  -6.925   1.832  -6.746
  307    HA   SER  44           HA       SER  44  -9.675   2.894  -7.255
  308   1HB   SER  44           HB2      SER  44  -8.893   3.165  -4.944
  309   2HB   SER  44           HB1      SER  44  -7.434   3.966  -5.514
  310    HG   SER  44           HG       SER  44  -9.158   5.394  -4.842
  311    H    ASN  45           HN       ASN  45  -7.958   2.513  -9.455
  312    HA   ASN  45           HA       ASN  45  -6.849   3.640 -11.187
  313   1HB   ASN  45           HB2      ASN  45  -7.959   5.922 -11.671
  314   2HB   ASN  45           HB1      ASN  45  -8.971   4.492 -11.784
  315   1HD2  ASN  45          HD22      ASN  45  -9.856   7.351  -9.085
  316   2HD2  ASN  45          HD21      ASN  45  -8.626   7.540 -10.239
  317    H    GLY  46           HN       GLY  46  -5.340   3.750  -8.936
  318   1HA   GLY  46           HA2      GLY  46  -3.746   5.001  -7.759
  319   2HA   GLY  46           HA1      GLY  46  -3.406   5.646  -9.357
  320    H    THR  47           HN       THR  47  -6.238   6.087  -7.257
  321    HA   THR  47           HA       THR  47  -5.702   9.037  -7.343
  322    HB   THR  47           HB       THR  47  -7.849   8.278  -8.421
  323    HG1  THR  47           HG1      THR  47  -7.489  10.315  -7.157
  324   1HG2  THR  47          HG23      THR  47  -7.952   6.609  -6.197
  325   2HG2  THR  47          HG22      THR  47  -9.205   7.811  -5.887
  326   3HG2  THR  47          HG21      THR  47  -9.244   6.855  -7.370
  327    H    LEU  48           HN       LEU  48  -5.960   6.249  -5.368
  328    HA   LEU  48           HA       LEU  48  -6.607   7.603  -2.897
  329   1HB   LEU  48           HB2      LEU  48  -7.161   5.314  -2.936
  330   2HB   LEU  48           HB1      LEU  48  -5.664   4.872  -3.746
  331    HG   LEU  48           HG       LEU  48  -5.134   6.136  -1.203
  332   1HD1  LEU  48          HD13      LEU  48  -7.091   3.890  -1.339
  333   2HD1  LEU  48          HD12      LEU  48  -5.968   3.996   0.018
  334   3HD1  LEU  48          HD11      LEU  48  -7.098   5.314  -0.299
  335   1HD2  LEU  48          HD23      LEU  48  -4.148   4.052  -2.891
  336   2HD2  LEU  48          HD22      LEU  48  -3.362   4.774  -1.487
  337   3HD2  LEU  48          HD21      LEU  48  -4.417   3.374  -1.285
  338    H    THR  49           HN       THR  49  -5.097   8.161  -1.270
  339    HA   THR  49           HA       THR  49  -2.233   8.084  -2.109
  340    HB   THR  49           HB       THR  49  -1.905  10.267  -1.436
  341    HG1  THR  49           HG1      THR  49  -2.556  10.143   0.652
  342   1HG2  THR  49          HG21      THR  49  -4.057   9.877  -3.067
  343   2HG2  THR  49          HG23      THR  49  -4.789  10.832  -1.776
  344   3HG2  THR  49          HG22      THR  49  -3.406  11.468  -2.667
  345    H    LEU  50           HN       LEU  50  -0.758   7.569  -0.496
  346    HA   LEU  50           HA       LEU  50  -1.685   5.899   1.624
  347   1HB   LEU  50           HB2      LEU  50   0.467   5.484   0.719
  348   2HB   LEU  50           HB1      LEU  50   0.947   7.168   0.838
  349    HG   LEU  50           HG       LEU  50   0.818   6.881   3.373
  350   1HD1  LEU  50          HD12      LEU  50  -0.547   4.751   3.205
  351   2HD1  LEU  50          HD11      LEU  50   0.905   3.951   2.603
  352   3HD1  LEU  50          HD13      LEU  50   0.880   4.621   4.234
  353   1HD2  LEU  50          HD22      LEU  50   2.874   6.835   1.853
  354   2HD2  LEU  50          HD21      LEU  50   3.051   6.068   3.432
  355   3HD2  LEU  50          HD23      LEU  50   2.802   5.078   1.992
  356    H    SER  51           HN       SER  51  -0.992   6.468   4.005
  357    HA   SER  51           HA       SER  51  -1.376   9.373   4.518
  358   1HB   SER  51           HB2      SER  51  -3.135   7.195   5.285
  359   2HB   SER  51           HB1      SER  51  -2.443   7.940   6.687
  360    HG   SER  51           HG       SER  51  -3.002   9.978   5.370
  361    H    HIS  52           HN       HIS  52  -0.069   6.272   5.567
  362    HA   HIS  52           HA       HIS  52   2.298   7.412   6.671
  363   1HB   HIS  52           HB2      HIS  52   1.910   7.202   9.044
  364   2HB   HIS  52           HB1      HIS  52   0.599   8.187   8.394
  365    HD1  HIS  52           HD1      HIS  52   0.442   6.303  10.998
  366    HD2  HIS  52           HD2      HIS  52  -1.067   5.402   7.210
  367    HE1  HIS  52           HE1      HIS  52  -1.367   4.558  11.330
  368    H    PHE  53           HN       PHE  53   3.765   5.727   7.125
  369    HA   PHE  53           HA       PHE  53   2.926   3.089   6.236
  370   1HB   PHE  53           HB2      PHE  53   5.553   3.995   7.438
  371   2HB   PHE  53           HB1      PHE  53   5.248   2.448   6.649
  372    HD1  PHE  53           HD2      PHE  53   5.301   6.128   6.104
  373    HD2  PHE  53           HD1      PHE  53   5.239   2.245   4.269
  374    HE1  PHE  53           HE2      PHE  53   5.727   7.167   3.895
  375    HE2  PHE  53           HE1      PHE  53   5.663   3.285   2.057
  376    HZ   PHE  53           HZ       PHE  53   5.908   5.746   1.871
  377    H    GLY  54           HN       GLY  54   1.692   1.955   7.598
  378   1HA   GLY  54           HA2      GLY  54   2.435   0.506   9.738
  379   2HA   GLY  54           HA1      GLY  54   2.049   2.034  10.484
  380    H    LYS  55           HN       LYS  55   0.473   0.321  11.413
  381    HA   LYS  55           HA       LYS  55  -1.956   0.023   9.750
  382   1HB   LYS  55           HB2      LYS  55  -2.630  -0.912  12.266
  383   2HB   LYS  55           HB1      LYS  55  -2.040  -1.911  10.942
  384   1HG   LYS  55           HG2      LYS  55   0.239  -1.731  11.745
  385   2HG   LYS  55           HG1      LYS  55  -0.241  -0.553  12.967
  386   1HD   LYS  55           HD2      LYS  55  -1.942  -2.617  13.534
  387   2HD   LYS  55           HD1      LYS  55  -0.514  -3.493  12.979
  388   1HE   LYS  55           HE2      LYS  55   0.433  -3.137  14.988
  389   2HE   LYS  55           HE1      LYS  55   0.433  -1.409  14.641
  390   1HZ   LYS  55           HZ1      LYS  55  -2.129  -1.867  15.334
  391   2HZ   LYS  55           HZ3      LYS  55  -1.303  -2.938  16.358
  392   3HZ   LYS  55           HZ2      LYS  55  -0.930  -1.281  16.385
  393    H    CYS  56           HN       CYS  56  -3.640   1.441   9.932
  394    HA   CYS  56           HA       CYS  56  -3.484   3.904  11.204
  395   1HB   CYS  56           HB2      CYS  56  -5.847   2.196  10.455
  396   2HB   CYS  56           HB1      CYS  56  -6.086   3.744  11.268
   
  No H/Q in entry =         396
  Start of MODEL          32
 Raw file had  401 H/Q atoms
  Start of MODEL   32
    1   1H    LEU   1           HT1      LEU   1  12.844   4.698   4.244
    2   2H    LEU   1           HT3      LEU   1  12.215   3.933   2.868
    3   3H    LEU   1           HT2      LEU   1  13.789   4.570   2.837
    4    HA   LEU   1           HA       LEU   1  13.106   6.696   2.563
    5   1HB   LEU   1           HB2      LEU   1  10.676   5.160   1.589
    6   2HB   LEU   1           HB1      LEU   1  11.199   6.749   1.029
    7    HG   LEU   1           HG       LEU   1  13.334   4.751   0.894
    8   1HD1  LEU   1          HD13      LEU   1  10.764   4.331  -0.656
    9   2HD1  LEU   1          HD12      LEU   1  12.309   3.626  -1.129
   10   3HD1  LEU   1          HD11      LEU   1  11.571   3.179   0.408
   11   1HD2  LEU   1          HD21      LEU   1  13.383   6.988  -0.170
   12   2HD2  LEU   1          HD23      LEU   1  13.545   5.705  -1.369
   13   3HD2  LEU   1          HD22      LEU   1  12.002   6.536  -1.170
   14    H    ALA   2           HN       ALA   2  12.471   8.194   4.040
   15    HA   ALA   2           HA       ALA   2  10.112   7.574   5.751
   16   1HB   ALA   2           HB1      ALA   2  12.584   9.196   6.083
   17   2HB   ALA   2           HB3      ALA   2  11.124   9.817   6.856
   18   3HB   ALA   2           HB2      ALA   2  11.719   8.208   7.261
   19    H    ALA   3           HN       ALA   3   8.931   8.133   3.578
   20    HA   ALA   3           HA       ALA   3   8.077  10.963   3.809
   21   1HB   ALA   3           HB1      ALA   3   9.876  10.593   1.955
   22   2HB   ALA   3           HB3      ALA   3   8.571   9.801   1.073
   23   3HB   ALA   3           HB2      ALA   3   8.417  11.494   1.544
   24    H    VAL   4           HN       VAL   4   6.214  11.096   1.849
   25    HA   VAL   4           HA       VAL   4   4.467   8.721   2.372
   26    HB   VAL   4           HB       VAL   4   3.502  11.545   1.865
   27   1HG1  VAL   4          HG11      VAL   4   2.100   9.307   1.617
   28   2HG1  VAL   4          HG13      VAL   4   2.030   9.416   3.376
   29   3HG1  VAL   4          HG12      VAL   4   1.392  10.729   2.385
   30   1HG2  VAL   4          HG21      VAL   4   4.942  11.345   3.942
   31   2HG2  VAL   4          HG23      VAL   4   3.273  11.828   4.251
   32   3HG2  VAL   4          HG22      VAL   4   3.780  10.165   4.551
   33    H    SER   5           HN       SER   5   4.896   7.639   0.425
   34    HA   SER   5           HA       SER   5   3.402   8.328  -1.867
   35   1HB   SER   5           HB2      SER   5   5.677   9.947  -1.676
   36   2HB   SER   5           HB1      SER   5   6.123   8.703  -2.840
   37    HG   SER   5           HG       SER   5   4.710   9.485  -4.199
   38    H    VAL   6           HN       VAL   6   3.013   6.204  -2.332
   39    HA   VAL   6           HA       VAL   6   5.389   4.400  -2.579
   40    HB   VAL   6           HB       VAL   6   2.848   2.995  -2.378
   41   1HG1  VAL   6          HG12      VAL   6   5.533   2.615  -1.748
   42   2HG1  VAL   6          HG11      VAL   6   4.741   2.709  -0.175
   43   3HG1  VAL   6          HG13      VAL   6   4.211   1.514  -1.359
   44   1HG2  VAL   6          HG22      VAL   6   3.593   4.934  -0.171
   45   2HG2  VAL   6          HG21      VAL   6   2.047   4.800  -1.008
   46   3HG2  VAL   6          HG23      VAL   6   2.564   3.528   0.098
   47    H    ASP   7           HN       ASP   7   5.665   3.366  -4.526
   48    HA   ASP   7           HA       ASP   7   3.807   4.111  -6.708
   49   1HB   ASP   7           HB2      ASP   7   6.370   4.242  -6.878
   50   2HB   ASP   7           HB1      ASP   7   6.339   2.481  -6.971
   51    H    CYS   8           HN       CYS   8   2.455   2.636  -7.699
   52    HA   CYS   8           HA       CYS   8   2.804  -0.242  -7.038
   53   1HB   CYS   8           HB2      CYS   8   0.092   1.075  -6.881
   54   2HB   CYS   8           HB1      CYS   8   0.578  -0.507  -6.269
   55    H    SER   9           HN       SER   9   3.492   0.761  -9.484
   56    HA   SER   9           HA       SER   9   1.164   0.493 -11.287
   57   1HB   SER   9           HB2      SER   9   3.390   2.047 -11.461
   58   2HB   SER   9           HB1      SER   9   3.895   0.664 -12.428
   59    HG   SER   9           HG       SER   9   1.368   1.889 -12.757
   60    H    GLU  10           HN       GLU  10   2.656  -1.704  -9.630
   61    HA   GLU  10           HA       GLU  10   3.053  -3.607 -11.909
   62   1HB   GLU  10           HB2      GLU  10   4.318  -4.953 -10.124
   63   2HB   GLU  10           HB1      GLU  10   5.096  -3.470 -10.677
   64   1HG   GLU  10           HG2      GLU  10   3.246  -3.039  -8.439
   65   2HG   GLU  10           HG1      GLU  10   4.594  -4.104  -8.035
   66    H    TYR  11           HN       TYR  11   1.087  -2.772  -9.274
   67    HA   TYR  11           HA       TYR  11   0.122  -5.420  -8.634
   68   1HB   TYR  11           HB2      TYR  11  -0.857  -2.629  -7.964
   69   2HB   TYR  11           HB1      TYR  11  -1.459  -4.103  -7.212
   70    HD1  TYR  11           HD2      TYR  11   1.452  -1.875  -7.593
   71    HD2  TYR  11           HD1      TYR  11  -0.086  -5.387  -5.658
   72    HE1  TYR  11           HE2      TYR  11   3.395  -1.875  -6.057
   73    HE2  TYR  11           HE1      TYR  11   1.864  -5.386  -4.120
   74    HH   TYR  11           HH       TYR  11   3.903  -4.506  -3.742
   75    HA   PRO  12           HA       PRO  12  -2.048  -5.728  -7.673
   76   1HB   PRO  12           HB2      PRO  12  -3.516  -7.982  -8.235
   77   2HB   PRO  12           HB1      PRO  12  -4.242  -6.397  -7.915
   78   1HG   PRO  12           HG2      PRO  12  -3.895  -7.811 -10.529
   79   2HG   PRO  12           HG1      PRO  12  -5.146  -6.659 -10.031
   80   1HD   PRO  12           HD2      PRO  12  -2.918  -6.030 -11.627
   81   2HD   PRO  12           HD1      PRO  12  -3.949  -4.884 -10.818
   82    H    LYS  13           HN       LYS  13  -1.664  -8.181  -6.932
   83    HA   LYS  13           HA       LYS  13   0.310  -9.536  -8.688
   84   1HB   LYS  13           HB2      LYS  13   0.852  -8.631  -5.843
   85   2HB   LYS  13           HB1      LYS  13   1.904  -9.684  -6.783
   86   1HG   LYS  13           HG2      LYS  13   1.542  -7.596  -8.519
   87   2HG   LYS  13           HG1      LYS  13   1.530  -6.770  -6.964
   88   1HD   LYS  13           HD2      LYS  13   3.687  -7.586  -6.390
   89   2HD   LYS  13           HD1      LYS  13   3.653  -8.798  -7.670
   90   1HE   LYS  13           HE2      LYS  13   3.250  -6.206  -8.837
   91   2HE   LYS  13           HE1      LYS  13   4.686  -6.156  -7.813
   92   1HZ   LYS  13           HZ2      LYS  13   5.032  -8.489  -9.038
   93   2HZ   LYS  13           HZ1      LYS  13   4.200  -7.645 -10.256
   94   3HZ   LYS  13           HZ3      LYS  13   5.649  -7.022  -9.634
   95    HA   PRO  14           HA       PRO  14  -1.944 -12.923  -6.905
   96   1HB   PRO  14           HB2      PRO  14  -0.514 -14.924  -8.130
   97   2HB   PRO  14           HB1      PRO  14  -1.744 -13.950  -8.953
   98   1HG   PRO  14           HG2      PRO  14   1.218 -13.827  -9.200
   99   2HG   PRO  14           HG1      PRO  14  -0.024 -13.338 -10.363
  100   1HD   PRO  14           HD2      PRO  14   1.483 -11.619  -8.715
  101   2HD   PRO  14           HD1      PRO  14   0.065 -11.167  -9.632
  102    H    ALA  15           HN       ALA  15   0.798 -11.826  -5.775
  103    HA   ALA  15           HA       ALA  15   0.964 -13.565  -3.519
  104   1HB   ALA  15           HB3      ALA  15   2.551 -14.337  -5.865
  105   2HB   ALA  15           HB2      ALA  15   3.529 -14.118  -4.414
  106   3HB   ALA  15           HB1      ALA  15   2.185 -15.259  -4.407
  107    H    CYS  16           HN       CYS  16   2.059 -12.420  -1.904
  108    HA   CYS  16           HA       CYS  16   3.992 -10.347  -2.794
  109   1HB   CYS  16           HB2      CYS  16   1.525  -9.820  -1.117
  110   2HB   CYS  16           HB1      CYS  16   2.892  -8.719  -1.190
  111    H    THR  17           HN       THR  17   5.793 -10.697  -1.657
  112    HA   THR  17           HA       THR  17   5.783 -12.075   0.913
  113    HB   THR  17           HB       THR  17   8.219 -11.189   0.958
  114    HG1  THR  17           HG1      THR  17   8.640 -10.826  -1.509
  115   1HG2  THR  17          HG23      THR  17   6.965 -13.247  -0.728
  116   2HG2  THR  17          HG22      THR  17   8.547 -12.731  -1.313
  117   3HG2  THR  17          HG21      THR  17   8.376 -13.359   0.325
  118    H    LEU  18           HN       LEU  18   7.791  -9.385   1.095
  119    HA   LEU  18           HA       LEU  18   7.633  -7.447   2.361
  120   1HB   LEU  18           HB2      LEU  18   4.850  -7.689   1.253
  121   2HB   LEU  18           HB1      LEU  18   5.390  -6.296   2.194
  122    HG   LEU  18           HG       LEU  18   7.162  -7.143  -0.029
  123   1HD1  LEU  18          HD11      LEU  18   4.480  -5.802  -0.494
  124   2HD1  LEU  18          HD13      LEU  18   5.760  -5.948  -1.698
  125   3HD1  LEU  18          HD12      LEU  18   4.961  -7.394  -1.081
  126   1HD2  LEU  18          HD22      LEU  18   6.174  -4.576   1.217
  127   2HD2  LEU  18          HD21      LEU  18   7.822  -5.202   1.155
  128   3HD2  LEU  18          HD23      LEU  18   7.064  -4.570  -0.307
  129    H    GLU  19           HN       GLU  19   8.062  -8.472   4.267
  130    HA   GLU  19           HA       GLU  19   6.511 -10.024   5.942
  131   1HB   GLU  19           HB2      GLU  19   8.217  -7.663   6.795
  132   2HB   GLU  19           HB1      GLU  19   7.678  -8.962   7.861
  133   1HG   GLU  19           HG2      GLU  19   9.343 -10.303   7.164
  134   2HG   GLU  19           HG1      GLU  19   8.895 -10.061   5.476
  135    H    TYR  20           HN       TYR  20   5.606  -8.896   8.242
  136    HA   TYR  20           HA       TYR  20   3.217  -7.552   7.285
  137   1HB   TYR  20           HB2      TYR  20   3.294  -9.172   9.246
  138   2HB   TYR  20           HB1      TYR  20   3.998  -7.853  10.186
  139    HD1  TYR  20           HD2      TYR  20   1.380  -7.781   7.503
  140    HD2  TYR  20           HD1      TYR  20   2.301  -7.114  11.648
  141    HE1  TYR  20           HE2      TYR  20  -0.871  -6.794   7.838
  142    HE2  TYR  20           HE1      TYR  20   0.049  -6.131  11.986
  143    HH   TYR  20           HH       TYR  20  -1.843  -5.019   9.654
  144    H    ARG  21           HN       ARG  21   3.946  -5.638   6.402
  145    HA   ARG  21           HA       ARG  21   4.662  -3.523   8.389
  146   1HB   ARG  21           HB2      ARG  21   5.499  -3.265   5.517
  147   2HB   ARG  21           HB1      ARG  21   6.262  -2.605   6.963
  148   1HG   ARG  21           HG2      ARG  21   6.577  -5.235   7.476
  149   2HG   ARG  21           HG1      ARG  21   6.577  -5.288   5.712
  150   1HD   ARG  21           HD2      ARG  21   8.867  -4.991   6.545
  151   2HD   ARG  21           HD1      ARG  21   8.345  -3.547   5.678
  152    HE   ARG  21           HE       ARG  21   7.759  -2.692   8.085
  153   1HH1  ARG  21          HH11      ARG  21   8.673  -4.117  10.107
  154   2HH1  ARG  21          HH12      ARG  21  10.400  -3.989  10.173
  155   1HH2  ARG  21          HH21      ARG  21  10.701  -2.834   6.916
  156   2HH2  ARG  21          HH22      ARG  21  11.548  -3.263   8.365
  157    HA   PRO  22           HA       PRO  22   0.556  -2.855   6.434
  158   1HB   PRO  22           HB2      PRO  22  -0.408  -1.502   8.659
  159   2HB   PRO  22           HB1      PRO  22  -0.506  -3.269   8.414
  160   1HG   PRO  22           HG2      PRO  22   1.368  -1.683  10.131
  161   2HG   PRO  22           HG1      PRO  22   0.726  -3.316  10.383
  162   1HD   PRO  22           HD2      PRO  22   3.295  -2.791   9.481
  163   2HD   PRO  22           HD1      PRO  22   2.422  -4.308   9.169
  164    H    LEU  23           HN       LEU  23  -0.112  -1.111   5.236
  165    HA   LEU  23           HA       LEU  23   1.017   1.544   6.006
  166   1HB   LEU  23           HB2      LEU  23   0.456   0.402   3.267
  167   2HB   LEU  23           HB1      LEU  23   0.828   2.103   3.566
  168    HG   LEU  23           HG       LEU  23   2.728   0.448   4.958
  169   1HD1  LEU  23          HD11      LEU  23   1.835  -0.571   2.433
  170   2HD1  LEU  23          HD13      LEU  23   3.508  -0.037   2.289
  171   3HD1  LEU  23          HD12      LEU  23   3.065  -1.229   3.513
  172   1HD2  LEU  23          HD23      LEU  23   2.873   2.403   2.652
  173   2HD2  LEU  23          HD22      LEU  23   3.172   2.739   4.357
  174   3HD2  LEU  23          HD21      LEU  23   4.294   1.725   3.449
  175    H    CYS  24           HN       CYS  24  -0.632   2.723   6.879
  176    HA   CYS  24           HA       CYS  24  -3.394   2.045   6.196
  177   1HB   CYS  24           HB2      CYS  24  -2.096   3.497   8.317
  178   2HB   CYS  24           HB1      CYS  24  -3.358   4.495   7.622
  179    H    GLY  25           HN       GLY  25  -4.692   3.135   4.765
  180   1HA   GLY  25           HA2      GLY  25  -3.402   4.801   2.858
  181   2HA   GLY  25           HA1      GLY  25  -5.100   4.522   2.918
  182    H    SER  26           HN       SER  26  -5.270   6.845   2.396
  183    HA   SER  26           HA       SER  26  -4.650   8.670   4.649
  184   1HB   SER  26           HB2      SER  26  -4.351   9.248   2.142
  185   2HB   SER  26           HB1      SER  26  -6.102   9.409   2.101
  186    HG   SER  26           HG       SER  26  -4.189  11.035   3.212
  187    H    ASP  27           HN       ASP  27  -7.200   6.711   3.520
  188    HA   ASP  27           HA       ASP  27  -9.323   8.359   4.750
  189   1HB   ASP  27           HB2      ASP  27 -10.746   6.324   4.051
  190   2HB   ASP  27           HB1      ASP  27 -10.042   7.293   2.756
  191    H    ASN  28           HN       ASN  28  -7.003   6.370   5.920
  192    HA   ASN  28           HA       ASN  28  -6.769   5.579   8.132
  193   1HB   ASN  28           HB2      ASN  28  -8.804   7.074   8.651
  194   2HB   ASN  28           HB1      ASN  28  -9.770   5.616   8.431
  195   1HD2  ASN  28          HD22      ASN  28  -8.862   4.236  11.550
  196   2HD2  ASN  28          HD21      ASN  28  -9.773   4.066  10.127
  197    H    LYS  29           HN       LYS  29  -7.259   4.001   5.658
  198    HA   LYS  29           HA       LYS  29  -8.570   1.577   6.798
  199   1HB   LYS  29           HB2      LYS  29  -9.165   2.372   4.463
  200   2HB   LYS  29           HB1      LYS  29  -7.506   2.008   3.987
  201   1HG   LYS  29           HG2      LYS  29  -7.798  -0.288   4.211
  202   2HG   LYS  29           HG1      LYS  29  -9.107  -0.111   5.380
  203   1HD   LYS  29           HD2      LYS  29  -9.387   0.753   2.495
  204   2HD   LYS  29           HD1      LYS  29  -9.798  -0.874   3.039
  205   1HE   LYS  29           HE2      LYS  29 -11.102   0.619   4.907
  206   2HE   LYS  29           HE1      LYS  29 -11.209   1.686   3.507
  207   1HZ   LYS  29           HZ1      LYS  29 -11.734  -1.018   2.796
  208   2HZ   LYS  29           HZ3      LYS  29 -12.781  -0.502   4.026
  209   3HZ   LYS  29           HZ2      LYS  29 -12.698   0.363   2.566
  210    H    THR  30           HN       THR  30  -7.294  -0.433   6.892
  211    HA   THR  30           HA       THR  30  -4.361   0.154   6.851
  212    HB   THR  30           HB       THR  30  -5.928  -1.790   8.559
  213    HG1  THR  30           HG1      THR  30  -4.721  -0.414  10.153
  214   1HG2  THR  30          HG23      THR  30  -3.065  -1.652   7.805
  215   2HG2  THR  30          HG22      THR  30  -3.382  -1.825   9.531
  216   3HG2  THR  30          HG21      THR  30  -4.008  -3.020   8.396
  217    H    TYR  31           HN       TYR  31  -3.326  -0.795   5.195
  218    HA   TYR  31           HA       TYR  31  -4.465  -3.313   4.072
  219   1HB   TYR  31           HB2      TYR  31  -2.473  -1.290   3.009
  220   2HB   TYR  31           HB1      TYR  31  -2.751  -2.850   2.229
  221    HD1  TYR  31           HD1      TYR  31  -4.567   0.169   3.491
  222    HD2  TYR  31           HD2      TYR  31  -4.538  -3.119   0.731
  223    HE1  TYR  31           HE1      TYR  31  -6.603   1.070   2.398
  224    HE2  TYR  31           HE2      TYR  31  -6.572  -2.219  -0.365
  225    HH   TYR  31           HH       TYR  31  -7.586   0.709  -0.235
  226    H    GLY  32           HN       GLY  32  -3.232  -5.229   4.182
  227   1HA   GLY  32           HA2      GLY  32  -1.638  -5.794   6.293
  228   2HA   GLY  32           HA1      GLY  32  -1.365  -6.601   4.759
  229    H    ASN  33           HN       ASN  33  -0.443  -4.351   3.263
  230    HA   ASN  33           HA       ASN  33   1.573  -2.902   4.660
  231   1HB   ASN  33           HB2      ASN  33   3.585  -4.076   3.924
  232   2HB   ASN  33           HB1      ASN  33   2.574  -5.165   4.850
  233   1HD2  ASN  33          HD22      ASN  33   3.331  -7.247   1.996
  234   2HD2  ASN  33          HD21      ASN  33   3.950  -6.790   3.506
  235    H    LYS  34           HN       LYS  34   3.482  -3.193   2.324
  236    HA   LYS  34           HA       LYS  34   2.378  -1.064   0.815
  237   1HB   LYS  34           HB2      LYS  34   4.434  -0.984  -0.239
  238   2HB   LYS  34           HB1      LYS  34   4.808  -1.589   1.360
  239   1HG   LYS  34           HG2      LYS  34   5.949  -3.070   0.036
  240   2HG   LYS  34           HG1      LYS  34   4.435  -3.928   0.244
  241   1HD   LYS  34           HD2      LYS  34   4.087  -3.898  -1.978
  242   2HD   LYS  34           HD1      LYS  34   4.181  -2.137  -1.980
  243   1HE   LYS  34           HE2      LYS  34   6.833  -3.139  -1.676
  244   2HE   LYS  34           HE1      LYS  34   6.081  -4.010  -3.013
  245   1HZ   LYS  34           HZ1      LYS  34   5.441  -1.239  -3.082
  246   2HZ   LYS  34           HZ3      LYS  34   7.121  -1.471  -3.088
  247   3HZ   LYS  34           HZ2      LYS  34   6.160  -2.209  -4.278
  248    H    CYS  35           HN       CYS  35   2.681  -4.538   0.114
  249    HA   CYS  35           HA       CYS  35   1.920  -4.239  -2.642
  250   1HB   CYS  35           HB2      CYS  35   2.943  -6.318  -2.165
  251   2HB   CYS  35           HB1      CYS  35   1.960  -6.570  -0.725
  252    H    ASN  36           HN       ASN  36   0.106  -5.330   0.204
  253    HA   ASN  36           HA       ASN  36  -2.428  -5.446  -1.062
  254   1HB   ASN  36           HB2      ASN  36  -1.635  -5.023   1.830
  255   2HB   ASN  36           HB1      ASN  36  -3.305  -5.273   1.311
  256   1HD2  ASN  36          HD22      ASN  36  -0.644  -8.417   1.053
  257   2HD2  ASN  36          HD21      ASN  36  -0.058  -6.840   1.235
  258    H    PHE  37           HN       PHE  37  -0.785  -2.769   0.614
  259    HA   PHE  37           HA       PHE  37  -2.973  -0.886   0.395
  260   1HB   PHE  37           HB2      PHE  37  -0.899  -0.589   1.787
  261   2HB   PHE  37           HB1      PHE  37  -0.020  -0.233   0.436
  262    HD1  PHE  37           HD1      PHE  37  -3.210   0.953   1.972
  263    HD2  PHE  37           HD2      PHE  37   0.252   1.787  -0.386
  264    HE1  PHE  37           HE1      PHE  37  -3.916   3.324   1.779
  265    HE2  PHE  37           HE2      PHE  37  -0.433   4.148  -0.597
  266    HZ   PHE  37           HZ       PHE  37  -2.525   4.937   0.492
  267    H    CYS  38           HN       CYS  38  -0.392  -1.943  -1.541
  268    HA   CYS  38           HA       CYS  38  -0.636   0.121  -3.576
  269   1HB   CYS  38           HB2      CYS  38   0.927  -2.401  -3.290
  270   2HB   CYS  38           HB1      CYS  38   0.619  -1.836  -4.923
  271    H    ASN  39           HN       ASN  39  -2.237  -2.899  -2.926
  272    HA   ASN  39           HA       ASN  39  -3.207  -3.355  -5.615
  273   1HB   ASN  39           HB2      ASN  39  -3.815  -4.396  -2.888
  274   2HB   ASN  39           HB1      ASN  39  -5.093  -4.545  -4.091
  275   1HD2  ASN  39          HD22      ASN  39  -2.324  -7.291  -4.186
  276   2HD2  ASN  39          HD21      ASN  39  -2.850  -6.435  -2.822
  277    H    ALA  40           HN       ALA  40  -4.163  -1.405  -2.889
  278    HA   ALA  40           HA       ALA  40  -6.768  -0.686  -4.012
  279   1HB   ALA  40           HB1      ALA  40  -5.128   0.488  -1.740
  280   2HB   ALA  40           HB3      ALA  40  -6.770   0.987  -2.144
  281   3HB   ALA  40           HB2      ALA  40  -6.462  -0.655  -1.582
  282    H    VAL  41           HN       VAL  41  -3.482   0.470  -4.032
  283    HA   VAL  41           HA       VAL  41  -4.051   3.114  -5.079
  284    HB   VAL  41           HB       VAL  41  -1.536   1.422  -5.085
  285   1HG1  VAL  41          HG11      VAL  41  -2.100   4.231  -6.018
  286   2HG1  VAL  41          HG13      VAL  41  -0.499   3.783  -5.429
  287   3HG1  VAL  41          HG12      VAL  41  -1.185   2.960  -6.829
  288   1HG2  VAL  41          HG23      VAL  41  -2.680   2.338  -2.902
  289   2HG2  VAL  41          HG22      VAL  41  -0.941   2.532  -3.116
  290   3HG2  VAL  41          HG21      VAL  41  -2.025   3.886  -3.433
  291    H    VAL  42           HN       VAL  42  -3.345  -0.043  -6.514
  292    HA   VAL  42           HA       VAL  42  -3.235   1.115  -9.201
  293    HB   VAL  42           HB       VAL  42  -1.657  -0.652  -8.586
  294   1HG1  VAL  42          HG13      VAL  42  -4.125  -1.925  -7.617
  295   2HG1  VAL  42          HG12      VAL  42  -3.083  -3.004  -8.545
  296   3HG1  VAL  42          HG11      VAL  42  -2.454  -2.185  -7.119
  297   1HG2  VAL  42          HG21      VAL  42  -3.334  -0.591 -10.836
  298   2HG2  VAL  42          HG23      VAL  42  -1.748  -1.349 -10.706
  299   3HG2  VAL  42          HG22      VAL  42  -3.204  -2.289 -10.378
  300    H    GLU  43           HN       GLU  43  -5.553  -0.424  -7.110
  301    HA   GLU  43           HA       GLU  43  -7.334  -1.060  -9.391
  302   1HB   GLU  43           HB2      GLU  43  -7.006  -2.316  -6.976
  303   2HB   GLU  43           HB1      GLU  43  -8.398  -1.304  -6.648
  304   1HG   GLU  43           HG2      GLU  43  -8.866  -2.364  -9.203
  305   2HG   GLU  43           HG1      GLU  43  -8.238  -3.709  -8.251
  306    H    SER  44           HN       SER  44  -6.491   1.631  -7.719
  307    HA   SER  44           HA       SER  44  -9.233   2.807  -7.976
  308   1HB   SER  44           HB2      SER  44  -8.705   4.273  -6.111
  309   2HB   SER  44           HB1      SER  44  -8.388   2.616  -5.610
  310    HG   SER  44           HG       SER  44  -6.165   3.337  -6.643
  311    H    ASN  45           HN       ASN  45  -7.263   2.654 -10.071
  312    HA   ASN  45           HA       ASN  45  -6.033   3.995 -11.550
  313   1HB   ASN  45           HB2      ASN  45  -7.115   6.351 -11.801
  314   2HB   ASN  45           HB1      ASN  45  -8.063   4.945 -12.249
  315   1HD2  ASN  45          HD22      ASN  45 -10.305   5.241  -9.468
  316   2HD2  ASN  45          HD21      ASN  45  -9.634   4.126 -10.558
  317    H    GLY  46           HN       GLY  46  -4.730   3.803  -9.175
  318   1HA   GLY  46           HA2      GLY  46  -3.298   4.909  -7.669
  319   2HA   GLY  46           HA1      GLY  46  -2.775   5.722  -9.136
  320    H    THR  47           HN       THR  47  -5.821   5.906  -7.334
  321    HA   THR  47           HA       THR  47  -5.419   8.863  -7.156
  322    HB   THR  47           HB       THR  47  -7.429   8.004  -8.436
  323    HG1  THR  47           HG1      THR  47  -8.387   9.311  -6.169
  324   1HG2  THR  47          HG23      THR  47  -7.665   6.199  -6.424
  325   2HG2  THR  47          HG22      THR  47  -8.816   7.420  -5.883
  326   3HG2  THR  47          HG21      THR  47  -9.007   6.670  -7.467
  327    H    LEU  48           HN       LEU  48  -5.473   5.999  -5.337
  328    HA   LEU  48           HA       LEU  48  -6.471   7.197  -2.878
  329   1HB   LEU  48           HB2      LEU  48  -7.008   4.926  -3.057
  330   2HB   LEU  48           HB1      LEU  48  -5.451   4.513  -3.765
  331    HG   LEU  48           HG       LEU  48  -4.764   5.492  -1.257
  332   1HD1  LEU  48          HD12      LEU  48  -7.503   4.512  -1.257
  333   2HD1  LEU  48          HD11      LEU  48  -6.464   3.651  -0.123
  334   3HD1  LEU  48          HD13      LEU  48  -6.625   5.403  -0.012
  335   1HD2  LEU  48          HD21      LEU  48  -4.322   3.261  -2.741
  336   2HD2  LEU  48          HD23      LEU  48  -3.812   3.434  -1.061
  337   3HD2  LEU  48          HD22      LEU  48  -5.317   2.597  -1.445
  338    H    THR  49           HN       THR  49  -5.195   8.321  -1.525
  339    HA   THR  49           HA       THR  49  -2.240   7.888  -1.670
  340    HB   THR  49           HB       THR  49  -1.896  10.142  -1.166
  341    HG1  THR  49           HG1      THR  49  -2.934  10.716   0.559
  342   1HG2  THR  49          HG21      THR  49  -3.706   9.613  -3.181
  343   2HG2  THR  49          HG23      THR  49  -4.522  10.870  -2.251
  344   3HG2  THR  49          HG22      THR  49  -2.912  11.165  -2.910
  345    H    LEU  50           HN       LEU  50  -1.181   7.718   0.475
  346    HA   LEU  50           HA       LEU  50  -3.133   6.653   2.406
  347   1HB   LEU  50           HB2      LEU  50  -1.600   5.075   2.885
  348   2HB   LEU  50           HB1      LEU  50  -0.798   5.625   1.428
  349    HG   LEU  50           HG       LEU  50  -0.072   7.154   3.855
  350   1HD1  LEU  50          HD13      LEU  50  -0.134   4.248   3.809
  351   2HD1  LEU  50          HD12      LEU  50   1.487   4.886   4.085
  352   3HD1  LEU  50          HD11      LEU  50   0.163   5.341   5.159
  353   1HD2  LEU  50          HD23      LEU  50   0.944   6.883   1.359
  354   2HD2  LEU  50          HD22      LEU  50   1.929   7.325   2.754
  355   3HD2  LEU  50          HD21      LEU  50   1.878   5.650   2.205
  356    H    SER  51           HN       SER  51  -1.987   6.888   4.841
  357    HA   SER  51           HA       SER  51  -1.688   9.839   5.183
  358   1HB   SER  51           HB2      SER  51  -3.585   7.990   6.391
  359   2HB   SER  51           HB1      SER  51  -2.566   8.702   7.591
  360    HG   SER  51           HG       SER  51  -4.533   9.893   6.922
  361    H    HIS  52           HN       HIS  52  -0.690   6.611   6.224
  362    HA   HIS  52           HA       HIS  52   1.896   7.637   7.074
  363   1HB   HIS  52           HB2      HIS  52   1.654   7.060   9.462
  364   2HB   HIS  52           HB1      HIS  52   0.520   8.330   8.997
  365    HD1  HIS  52           HD1      HIS  52   0.385   5.704  11.151
  366    HD2  HIS  52           HD2      HIS  52  -1.928   6.506   7.766
  367    HE1  HIS  52           HE1      HIS  52  -1.763   4.392  11.415
  368    H    PHE  53           HN       PHE  53   3.381   5.988   7.100
  369    HA   PHE  53           HA       PHE  53   2.584   3.369   6.184
  370   1HB   PHE  53           HB2      PHE  53   5.200   4.495   7.200
  371   2HB   PHE  53           HB1      PHE  53   5.013   2.806   6.730
  372    HD1  PHE  53           HD2      PHE  53   3.536   5.911   5.223
  373    HD2  PHE  53           HD1      PHE  53   6.171   2.557   4.701
  374    HE1  PHE  53           HE2      PHE  53   3.843   6.526   2.849
  375    HE2  PHE  53           HE1      PHE  53   6.478   3.177   2.320
  376    HZ   PHE  53           HZ       PHE  53   5.316   5.162   1.394
  377    H    GLY  54           HN       GLY  54   1.512   2.036   7.539
  378   1HA   GLY  54           HA2      GLY  54   2.312   0.519   9.555
  379   2HA   GLY  54           HA1      GLY  54   2.053   2.010  10.402
  380    H    LYS  55           HN       LYS  55   0.454   0.345  11.390
  381    HA   LYS  55           HA       LYS  55  -2.079   0.169   9.896
  382   1HB   LYS  55           HB2      LYS  55  -2.655  -0.581  12.514
  383   2HB   LYS  55           HB1      LYS  55  -2.260  -1.681  11.198
  384   1HG   LYS  55           HG2      LYS  55   0.079  -1.680  11.818
  385   2HG   LYS  55           HG1      LYS  55  -0.190  -0.406  13.008
  386   1HD   LYS  55           HD2      LYS  55  -0.512  -2.047  14.523
  387   2HD   LYS  55           HD1      LYS  55  -2.036  -2.382  13.701
  388   1HE   LYS  55           HE2      LYS  55  -0.498  -3.764  12.061
  389   2HE   LYS  55           HE1      LYS  55   0.606  -3.780  13.437
  390   1HZ   LYS  55           HZ1      LYS  55  -1.755  -4.383  14.580
  391   2HZ   LYS  55           HZ3      LYS  55  -1.905  -5.151  13.074
  392   3HZ   LYS  55           HZ2      LYS  55  -0.597  -5.527  14.093
  393    H    CYS  56           HN       CYS  56  -4.013   1.258  10.619
  394    HA   CYS  56           HA       CYS  56  -3.587   3.957  11.467
  395   1HB   CYS  56           HB2      CYS  56  -6.055   2.252  11.155
  396   2HB   CYS  56           HB1      CYS  56  -6.151   3.909  11.756
   
  No H/Q in entry =         396
  Start of MODEL          33
 Raw file had  401 H/Q atoms
  Start of MODEL   33
    1   1H    LEU   1           HT3      LEU   1   3.656  15.703   1.687
    2   2H    LEU   1           HT2      LEU   1   4.398  17.059   0.982
    3   3H    LEU   1           HT1      LEU   1   5.075  15.514   0.779
    4    HA   LEU   1           HA       LEU   1   6.389  15.989   2.492
    5   1HB   LEU   1           HB2      LEU   1   4.415  18.234   2.919
    6   2HB   LEU   1           HB1      LEU   1   5.730  17.933   4.057
    7    HG   LEU   1           HG       LEU   1   6.131  18.335   1.080
    8   1HD1  LEU   1          HD12      LEU   1   5.926  20.242   3.358
    9   2HD1  LEU   1          HD11      LEU   1   7.231  20.522   2.206
   10   3HD1  LEU   1          HD13      LEU   1   5.559  20.486   1.650
   11   1HD2  LEU   1          HD22      LEU   1   7.802  17.431   3.256
   12   2HD2  LEU   1          HD21      LEU   1   8.204  17.579   1.545
   13   3HD2  LEU   1          HD23      LEU   1   8.422  18.957   2.624
   14    H    ALA   2           HN       ALA   2   6.456  15.588   4.859
   15    HA   ALA   2           HA       ALA   2   5.787  14.242   6.669
   16   1HB   ALA   2           HB2      ALA   2   4.137  16.408   6.533
   17   2HB   ALA   2           HB1      ALA   2   2.963  15.096   6.424
   18   3HB   ALA   2           HB3      ALA   2   4.051  15.192   7.808
   19    H    ALA   3           HN       ALA   3   5.640  13.030   4.030
   20    HA   ALA   3           HA       ALA   3   3.937  10.759   4.707
   21   1HB   ALA   3           HB2      ALA   3   2.541  12.662   3.472
   22   2HB   ALA   3           HB1      ALA   3   3.296  11.958   2.042
   23   3HB   ALA   3           HB3      ALA   3   2.291  10.958   3.091
   24    H    VAL   4           HN       VAL   4   4.152   9.039   2.934
   25    HA   VAL   4           HA       VAL   4   6.436   9.420   1.113
   26    HB   VAL   4           HB       VAL   4   7.041   6.974   2.387
   27   1HG1  VAL   4          HG13      VAL   4   8.310   9.322   1.541
   28   2HG1  VAL   4          HG12      VAL   4   8.693   9.201   3.258
   29   3HG1  VAL   4          HG11      VAL   4   9.095   7.872   2.170
   30   1HG2  VAL   4          HG23      VAL   4   5.696   7.737   4.329
   31   2HG2  VAL   4          HG22      VAL   4   7.412   7.661   4.726
   32   3HG2  VAL   4          HG21      VAL   4   6.652   9.217   4.398
   33    H    SER   5           HN       SER   5   4.238   9.086  -0.077
   34    HA   SER   5           HA       SER   5   2.805   6.713  -0.207
   35   1HB   SER   5           HB2      SER   5   2.387   8.707  -1.656
   36   2HB   SER   5           HB1      SER   5   3.793   8.265  -2.621
   37    HG   SER   5           HG       SER   5   2.168   7.275  -3.650
   38    H    VAL   6           HN       VAL   6   3.152   4.660  -1.072
   39    HA   VAL   6           HA       VAL   6   5.965   3.914  -1.503
   40    HB   VAL   6           HB       VAL   6   3.486   2.171  -1.629
   41   1HG1  VAL   6          HG11      VAL   6   6.417   1.533  -1.167
   42   2HG1  VAL   6          HG13      VAL   6   5.098   0.363  -1.145
   43   3HG1  VAL   6          HG12      VAL   6   5.514   1.196  -2.644
   44   1HG2  VAL   6          HG21      VAL   6   4.494   3.579   0.579
   45   2HG2  VAL   6          HG23      VAL   6   3.387   2.208   0.627
   46   3HG2  VAL   6          HG22      VAL   6   5.125   1.942   0.764
   47    H    ASP   7           HN       ASP   7   6.547   2.572  -3.427
   48    HA   ASP   7           HA       ASP   7   5.437   3.800  -5.861
   49   1HB   ASP   7           HB2      ASP   7   7.894   3.480  -5.578
   50   2HB   ASP   7           HB1      ASP   7   7.639   1.735  -5.553
   51    H    CYS   8           HN       CYS   8   3.552   2.895  -6.581
   52    HA   CYS   8           HA       CYS   8   3.336  -0.080  -6.484
   53   1HB   CYS   8           HB2      CYS   8   1.078   1.903  -6.891
   54   2HB   CYS   8           HB1      CYS   8   0.935   0.179  -6.554
   55    H    SER   9           HN       SER   9   4.885   1.233  -8.473
   56    HA   SER   9           HA       SER   9   3.279   1.498 -10.903
   57   1HB   SER   9           HB2      SER   9   6.030   2.021 -10.083
   58   2HB   SER   9           HB1      SER   9   5.943   1.274 -11.676
   59    HG   SER   9           HG       SER   9   4.089   2.972 -11.829
   60    H    GLU  10           HN       GLU  10   3.733  -1.163  -9.286
   61    HA   GLU  10           HA       GLU  10   3.983  -2.822 -11.734
   62   1HB   GLU  10           HB2      GLU  10   5.444  -3.501  -9.165
   63   2HB   GLU  10           HB1      GLU  10   5.555  -4.342 -10.712
   64   1HG   GLU  10           HG2      GLU  10   7.445  -3.025 -10.867
   65   2HG   GLU  10           HG1      GLU  10   6.264  -1.916 -11.564
   66    H    TYR  11           HN       TYR  11   1.684  -2.057 -10.265
   67    HA   TYR  11           HA       TYR  11   0.914  -4.615  -8.961
   68   1HB   TYR  11           HB2      TYR  11   0.250  -1.731  -8.367
   69   2HB   TYR  11           HB1      TYR  11  -0.777  -3.023  -7.764
   70    HD1  TYR  11           HD1      TYR  11   0.209  -4.796  -6.239
   71    HD2  TYR  11           HD2      TYR  11   2.412  -1.331  -7.482
   72    HE1  TYR  11           HE1      TYR  11   1.880  -5.213  -4.442
   73    HE2  TYR  11           HE2      TYR  11   4.073  -1.735  -5.683
   74    HH   TYR  11           HH       TYR  11   4.245  -4.658  -3.979
   75    HA   PRO  12           HA       PRO  12  -1.135  -4.731  -7.954
   76   1HB   PRO  12           HB2      PRO  12  -3.155  -6.585  -8.165
   77   2HB   PRO  12           HB1      PRO  12  -3.441  -4.853  -7.918
   78   1HG   PRO  12           HG2      PRO  12  -3.912  -6.478 -10.341
   79   2HG   PRO  12           HG1      PRO  12  -4.540  -4.872  -9.938
   80   1HD   PRO  12           HD2      PRO  12  -2.325  -5.536 -11.660
   81   2HD   PRO  12           HD1      PRO  12  -2.979  -3.936 -11.367
   82    H    LYS  13           HN       LYS  13  -0.757  -6.913  -6.923
   83    HA   LYS  13           HA       LYS  13   0.666  -8.721  -8.834
   84   1HB   LYS  13           HB2      LYS  13   1.428  -7.527  -6.277
   85   2HB   LYS  13           HB1      LYS  13   1.630  -9.277  -6.285
   86   1HG   LYS  13           HG2      LYS  13   2.961  -9.133  -8.348
   87   2HG   LYS  13           HG1      LYS  13   2.733  -7.383  -8.379
   88   1HD   LYS  13           HD2      LYS  13   4.778  -7.478  -7.305
   89   2HD   LYS  13           HD1      LYS  13   3.707  -7.575  -5.907
   90   1HE   LYS  13           HE2      LYS  13   5.180  -9.365  -5.545
   91   2HE   LYS  13           HE1      LYS  13   3.799 -10.149  -6.313
   92   1HZ   LYS  13           HZ3      LYS  13   5.472  -9.213  -8.333
   93   2HZ   LYS  13           HZ2      LYS  13   6.457 -10.020  -7.208
   94   3HZ   LYS  13           HZ1      LYS  13   5.140 -10.824  -7.919
   95    HA   PRO  14           HA       PRO  14  -2.225 -11.788  -7.435
   96   1HB   PRO  14           HB2      PRO  14  -1.027 -13.925  -8.675
   97   2HB   PRO  14           HB1      PRO  14  -2.017 -12.726  -9.528
   98   1HG   PRO  14           HG2      PRO  14   0.947 -13.053  -9.522
   99   2HG   PRO  14           HG1      PRO  14  -0.102 -12.353 -10.767
  100   1HD   PRO  14           HD2      PRO  14   1.484 -10.898  -8.953
  101   2HD   PRO  14           HD1      PRO  14   0.177 -10.241  -9.920
  102    H    ALA  15           HN       ALA  15   0.601 -11.211  -6.086
  103    HA   ALA  15           HA       ALA  15   0.333 -13.307  -4.074
  104   1HB   ALA  15           HB2      ALA  15   2.020 -13.864  -6.228
  105   2HB   ALA  15           HB1      ALA  15   3.111 -13.279  -4.973
  106   3HB   ALA  15           HB3      ALA  15   2.057 -14.655  -4.652
  107    H    CYS  16           HN       CYS  16   0.289 -11.840  -2.412
  108    HA   CYS  16           HA       CYS  16   2.128  -9.541  -2.411
  109   1HB   CYS  16           HB2      CYS  16   0.013 -10.483  -0.456
  110   2HB   CYS  16           HB1      CYS  16   0.981  -9.027  -0.228
  111    H    THR  17           HN       THR  17   4.006  -9.439  -1.240
  112    HA   THR  17           HA       THR  17   5.274 -11.757  -0.244
  113    HB   THR  17           HB       THR  17   6.457  -9.805   1.243
  114    HG1  THR  17           HG1      THR  17   5.005  -8.227   0.589
  115   1HG2  THR  17          HG21      THR  17   6.747 -10.606  -1.642
  116   2HG2  THR  17          HG23      THR  17   7.803  -9.374  -0.950
  117   3HG2  THR  17          HG22      THR  17   7.784 -11.002  -0.271
  118    H    LEU  18           HN       LEU  18   6.071 -11.458   2.342
  119    HA   LEU  18           HA       LEU  18   3.476 -11.503   3.825
  120   1HB   LEU  18           HB2      LEU  18   4.621 -13.068   5.405
  121   2HB   LEU  18           HB1      LEU  18   4.512 -13.713   3.766
  122    HG   LEU  18           HG       LEU  18   6.913 -12.172   3.954
  123   1HD1  LEU  18          HD11      LEU  18   6.574 -14.260   6.129
  124   2HD1  LEU  18          HD13      LEU  18   8.092 -13.474   5.700
  125   3HD1  LEU  18          HD12      LEU  18   6.772 -12.527   6.386
  126   1HD2  LEU  18          HD23      LEU  18   6.126 -15.039   3.515
  127   2HD2  LEU  18          HD22      LEU  18   6.878 -13.907   2.391
  128   3HD2  LEU  18          HD21      LEU  18   7.832 -14.627   3.688
  129    H    GLU  19           HN       GLU  19   6.506  -9.940   3.535
  130    HA   GLU  19           HA       GLU  19   7.212  -9.167   6.109
  131   1HB   GLU  19           HB2      GLU  19   7.196  -7.705   3.485
  132   2HB   GLU  19           HB1      GLU  19   7.597  -6.817   4.957
  133   1HG   GLU  19           HG2      GLU  19   9.705  -7.593   4.629
  134   2HG   GLU  19           HG1      GLU  19   9.078  -9.117   5.251
  135    H    TYR  20           HN       TYR  20   6.565  -7.227   7.401
  136    HA   TYR  20           HA       TYR  20   3.640  -6.765   7.072
  137   1HB   TYR  20           HB2      TYR  20   4.548  -7.797   9.230
  138   2HB   TYR  20           HB1      TYR  20   5.240  -6.210   9.574
  139    HD1  TYR  20           HD2      TYR  20   2.009  -7.111   7.912
  140    HD2  TYR  20           HD1      TYR  20   3.923  -5.299  11.306
  141    HE1  TYR  20           HE2      TYR  20  -0.191  -6.319   8.727
  142    HE2  TYR  20           HE1      TYR  20   1.717  -4.509  12.124
  143    HH   TYR  20           HH       TYR  20  -1.205  -4.888  10.181
  144    H    ARG  21           HN       ARG  21   3.555  -4.993   5.752
  145    HA   ARG  21           HA       ARG  21   4.806  -2.493   6.818
  146   1HB   ARG  21           HB2      ARG  21   4.196  -2.977   3.895
  147   2HB   ARG  21           HB1      ARG  21   5.229  -1.734   4.603
  148   1HG   ARG  21           HG2      ARG  21   6.223  -4.250   5.481
  149   2HG   ARG  21           HG1      ARG  21   5.957  -4.373   3.742
  150   1HD   ARG  21           HD2      ARG  21   7.165  -1.823   4.509
  151   2HD   ARG  21           HD1      ARG  21   8.162  -3.205   4.961
  152    HE   ARG  21           HE       ARG  21   7.138  -3.307   2.216
  153   1HH1  ARG  21          HH21      ARG  21   9.575  -4.712   2.611
  154   2HH1  ARG  21          HH22      ARG  21  10.819  -3.593   2.165
  155   1HH2  ARG  21          HH11      ARG  21   8.767  -0.809   2.394
  156   2HH2  ARG  21          HH12      ARG  21  10.361  -1.384   2.038
  157    HA   PRO  22           HA       PRO  22   0.228  -2.259   6.787
  158   1HB   PRO  22           HB2      PRO  22   0.086  -0.932   9.199
  159   2HB   PRO  22           HB1      PRO  22   0.082  -2.702   9.030
  160   1HG   PRO  22           HG2      PRO  22   2.311  -0.895   9.883
  161   2HG   PRO  22           HG1      PRO  22   1.982  -2.572  10.354
  162   1HD   PRO  22           HD2      PRO  22   3.915  -1.797   8.486
  163   2HD   PRO  22           HD1      PRO  22   3.215  -3.426   8.606
  164    H    LEU  23           HN       LEU  23   0.191  -0.723   5.050
  165    HA   LEU  23           HA       LEU  23   0.972   2.051   5.767
  166   1HB   LEU  23           HB2      LEU  23  -0.103   1.229   3.079
  167   2HB   LEU  23           HB1      LEU  23   1.069   2.489   3.470
  168    HG   LEU  23           HG       LEU  23   1.757  -0.378   4.045
  169   1HD1  LEU  23          HD13      LEU  23   1.388   0.877   1.397
  170   2HD1  LEU  23          HD12      LEU  23   2.901   0.001   1.629
  171   3HD1  LEU  23          HD11      LEU  23   1.358  -0.825   1.855
  172   1HD2  LEU  23          HD22      LEU  23   3.089   1.797   4.659
  173   2HD2  LEU  23          HD21      LEU  23   3.955   0.412   3.995
  174   3HD2  LEU  23          HD23      LEU  23   3.544   1.777   2.956
  175    H    CYS  24           HN       CYS  24  -0.597   3.269   6.628
  176    HA   CYS  24           HA       CYS  24  -3.404   2.496   6.462
  177   1HB   CYS  24           HB2      CYS  24  -2.831   3.553   8.501
  178   2HB   CYS  24           HB1      CYS  24  -1.876   4.777   7.694
  179    H    GLY  25           HN       GLY  25  -4.396   2.805   4.521
  180   1HA   GLY  25           HA2      GLY  25  -3.621   4.521   2.493
  181   2HA   GLY  25           HA1      GLY  25  -5.227   4.027   2.704
  182    H    SER  26           HN       SER  26  -5.332   6.441   1.811
  183    HA   SER  26           HA       SER  26  -4.970   8.450   3.923
  184   1HB   SER  26           HB2      SER  26  -6.359   9.837   2.166
  185   2HB   SER  26           HB1      SER  26  -4.696   9.397   1.797
  186    HG   SER  26           HG       SER  26  -6.971   7.860   1.065
  187    H    ASP  27           HN       ASP  27  -7.341   6.143   3.160
  188    HA   ASP  27           HA       ASP  27  -9.514   7.748   4.408
  189   1HB   ASP  27           HB2      ASP  27 -10.994   5.897   3.666
  190   2HB   ASP  27           HB1      ASP  27 -10.094   6.596   2.321
  191    H    ASN  28           HN       ASN  28  -7.059   5.971   5.513
  192    HA   ASN  28           HA       ASN  28  -6.724   5.144   7.699
  193   1HB   ASN  28           HB2      ASN  28  -8.847   6.492   8.266
  194   2HB   ASN  28           HB1      ASN  28  -9.713   4.971   8.049
  195   1HD2  ASN  28          HD22      ASN  28  -8.338   5.494  11.622
  196   2HD2  ASN  28          HD21      ASN  28  -9.041   6.625  10.571
  197    H    LYS  29           HN       LYS  29  -7.011   3.530   5.271
  198    HA   LYS  29           HA       LYS  29  -8.186   1.034   6.426
  199   1HB   LYS  29           HB2      LYS  29  -8.555   2.135   3.917
  200   2HB   LYS  29           HB1      LYS  29  -7.302   0.929   3.624
  201   1HG   LYS  29           HG2      LYS  29  -8.754  -0.723   4.910
  202   2HG   LYS  29           HG1      LYS  29 -10.038   0.485   4.844
  203   1HD   LYS  29           HD2      LYS  29  -9.646   0.530   2.305
  204   2HD   LYS  29           HD1      LYS  29  -8.706  -0.943   2.540
  205   1HE   LYS  29           HE2      LYS  29 -10.847  -1.781   2.082
  206   2HE   LYS  29           HE1      LYS  29 -10.807  -1.785   3.845
  207   1HZ   LYS  29           HZ3      LYS  29 -11.643   0.741   3.052
  208   2HZ   LYS  29           HZ2      LYS  29 -12.534  -0.371   2.127
  209   3HZ   LYS  29           HZ1      LYS  29 -12.560  -0.459   3.823
  210    H    THR  30           HN       THR  30  -6.539   0.141   7.610
  211    HA   THR  30           HA       THR  30  -3.761   0.345   6.914
  212    HB   THR  30           HB       THR  30  -5.167  -1.641   8.721
  213    HG1  THR  30           HG1      THR  30  -5.376   0.106   9.855
  214   1HG2  THR  30          HG22      THR  30  -2.371  -1.282   7.900
  215   2HG2  THR  30          HG21      THR  30  -2.595  -1.269   9.649
  216   3HG2  THR  30          HG23      THR  30  -3.140  -2.653   8.700
  217    H    TYR  31           HN       TYR  31  -2.621  -0.788   5.466
  218    HA   TYR  31           HA       TYR  31  -3.813  -3.291   4.343
  219   1HB   TYR  31           HB2      TYR  31  -1.879  -1.268   3.199
  220   2HB   TYR  31           HB1      TYR  31  -2.214  -2.800   2.421
  221    HD1  TYR  31           HD1      TYR  31  -3.744   0.375   3.590
  222    HD2  TYR  31           HD2      TYR  31  -4.246  -3.154   1.198
  223    HE1  TYR  31           HE1      TYR  31  -5.791   1.349   2.586
  224    HE2  TYR  31           HE2      TYR  31  -6.292  -2.180   0.189
  225    HH   TYR  31           HH       TYR  31  -7.712   0.776   1.406
  226    H    GLY  32           HN       GLY  32  -2.865  -5.053   5.221
  227   1HA   GLY  32           HA2      GLY  32  -0.924  -5.409   6.992
  228   2HA   GLY  32           HA1      GLY  32  -1.043  -6.546   5.661
  229    H    ASN  33           HN       ASN  33   0.040  -5.434   3.532
  230    HA   ASN  33           HA       ASN  33   2.551  -4.112   4.431
  231   1HB   ASN  33           HB2      ASN  33   3.899  -5.546   2.952
  232   2HB   ASN  33           HB1      ASN  33   3.107  -6.462   4.208
  233   1HD2  ASN  33          HD22      ASN  33   2.436  -8.462   1.259
  234   2HD2  ASN  33          HD21      ASN  33   3.665  -8.175   2.388
  235    H    LYS  34           HN       LYS  34   3.849  -3.955   2.058
  236    HA   LYS  34           HA       LYS  34   2.603  -1.752   0.801
  237   1HB   LYS  34           HB2      LYS  34   4.469  -1.990  -0.783
  238   2HB   LYS  34           HB1      LYS  34   5.012  -2.089   0.881
  239   1HG   LYS  34           HG2      LYS  34   5.991  -4.017   0.266
  240   2HG   LYS  34           HG1      LYS  34   4.373  -4.711   0.289
  241   1HD   LYS  34           HD2      LYS  34   4.148  -4.617  -2.014
  242   2HD   LYS  34           HD1      LYS  34   5.253  -3.252  -2.173
  243   1HE   LYS  34           HE2      LYS  34   6.861  -5.267  -1.131
  244   2HE   LYS  34           HE1      LYS  34   5.818  -6.117  -2.271
  245   1HZ   LYS  34           HZ2      LYS  34   6.380  -4.216  -3.849
  246   2HZ   LYS  34           HZ1      LYS  34   7.659  -3.866  -2.786
  247   3HZ   LYS  34           HZ3      LYS  34   7.586  -5.375  -3.558
  248    H    CYS  35           HN       CYS  35   2.610  -5.204  -0.017
  249    HA   CYS  35           HA       CYS  35   1.634  -4.816  -2.688
  250   1HB   CYS  35           HB2      CYS  35   2.714  -6.917  -2.066
  251   2HB   CYS  35           HB1      CYS  35   1.466  -7.223  -0.857
  252    H    ASN  36           HN       ASN  36   0.123  -5.040   0.458
  253    HA   ASN  36           HA       ASN  36  -2.566  -5.377  -0.641
  254   1HB   ASN  36           HB2      ASN  36  -1.390  -4.961   2.084
  255   2HB   ASN  36           HB1      ASN  36  -3.099  -4.597   1.841
  256   1HD2  ASN  36          HD22      ASN  36  -1.829  -8.479   1.755
  257   2HD2  ASN  36          HD21      ASN  36  -0.702  -7.211   1.807
  258    H    PHE  37           HN       PHE  37  -0.558  -2.716   0.569
  259    HA   PHE  37           HA       PHE  37  -2.636  -0.713   0.406
  260   1HB   PHE  37           HB2      PHE  37  -0.473  -0.435   1.646
  261   2HB   PHE  37           HB1      PHE  37   0.345  -0.242   0.202
  262    HD1  PHE  37           HD1      PHE  37  -2.941   1.028   1.382
  263    HD2  PHE  37           HD2      PHE  37   0.874   1.824  -0.348
  264    HE1  PHE  37           HE1      PHE  37  -3.635   3.379   0.991
  265    HE2  PHE  37           HE2      PHE  37   0.218   4.177  -0.755
  266    HZ   PHE  37           HZ       PHE  37  -2.040   4.978  -0.072
  267    H    CYS  38           HN       CYS  38  -0.122  -1.813  -1.669
  268    HA   CYS  38           HA       CYS  38  -0.569   0.146  -3.759
  269   1HB   CYS  38           HB2      CYS  38   0.997  -2.422  -3.561
  270   2HB   CYS  38           HB1      CYS  38   0.746  -1.676  -5.136
  271    H    ASN  39           HN       ASN  39  -1.656  -3.181  -3.154
  272    HA   ASN  39           HA       ASN  39  -2.950  -3.605  -5.669
  273   1HB   ASN  39           HB2      ASN  39  -3.298  -4.725  -2.897
  274   2HB   ASN  39           HB1      ASN  39  -4.511  -5.081  -4.126
  275   1HD2  ASN  39          HD22      ASN  39  -1.622  -7.581  -4.203
  276   2HD2  ASN  39          HD21      ASN  39  -2.519  -6.964  -2.902
  277    H    ALA  40           HN       ALA  40  -3.620  -1.478  -3.077
  278    HA   ALA  40           HA       ALA  40  -6.473  -1.200  -3.780
  279   1HB   ALA  40           HB1      ALA  40  -5.491  -0.985  -1.391
  280   2HB   ALA  40           HB3      ALA  40  -4.907   0.594  -1.918
  281   3HB   ALA  40           HB2      ALA  40  -6.637   0.252  -1.905
  282    H    VAL  41           HN       VAL  41  -3.423   0.601  -3.963
  283    HA   VAL  41           HA       VAL  41  -4.395   2.976  -5.192
  284    HB   VAL  41           HB       VAL  41  -1.751   1.558  -5.679
  285   1HG1  VAL  41          HG12      VAL  41  -2.605   3.543  -7.174
  286   2HG1  VAL  41          HG11      VAL  41  -2.182   4.527  -5.773
  287   3HG1  VAL  41          HG13      VAL  41  -0.949   3.554  -6.572
  288   1HG2  VAL  41          HG21      VAL  41  -2.789   2.583  -3.276
  289   2HG2  VAL  41          HG23      VAL  41  -1.105   2.177  -3.610
  290   3HG2  VAL  41          HG22      VAL  41  -1.683   3.824  -3.866
  291    H    VAL  42           HN       VAL  42  -3.716  -0.219  -6.406
  292    HA   VAL  42           HA       VAL  42  -4.059   0.575  -9.219
  293    HB   VAL  42           HB       VAL  42  -3.680  -1.838  -9.665
  294   1HG1  VAL  42          HG12      VAL  42  -1.866  -0.007  -8.883
  295   2HG1  VAL  42          HG11      VAL  42  -1.624  -1.215  -7.620
  296   3HG1  VAL  42          HG13      VAL  42  -1.427  -1.661  -9.315
  297   1HG2  VAL  42          HG22      VAL  42  -4.149  -1.970  -6.743
  298   2HG2  VAL  42          HG21      VAL  42  -4.494  -3.166  -7.988
  299   3HG2  VAL  42          HG23      VAL  42  -2.854  -2.987  -7.366
  300    H    GLU  43           HN       GLU  43  -5.899  -0.953  -6.644
  301    HA   GLU  43           HA       GLU  43  -8.101  -1.602  -8.509
  302   1HB   GLU  43           HB2      GLU  43  -7.241  -2.888  -6.261
  303   2HB   GLU  43           HB1      GLU  43  -8.536  -1.904  -5.601
  304   1HG   GLU  43           HG2      GLU  43 -10.136  -3.129  -6.616
  305   2HG   GLU  43           HG1      GLU  43  -9.257  -3.145  -8.145
  306    H    SER  44           HN       SER  44  -7.158   1.214  -7.570
  307    HA   SER  44           HA       SER  44  -9.926   2.164  -6.980
  308   1HB   SER  44           HB2      SER  44  -9.239   3.541  -5.201
  309   2HB   SER  44           HB1      SER  44  -8.327   2.061  -4.923
  310    HG   SER  44           HG       SER  44  -6.525   3.023  -5.652
  311    H    ASN  45           HN       ASN  45  -7.950   2.127  -9.343
  312    HA   ASN  45           HA       ASN  45  -7.599   3.588 -11.155
  313   1HB   ASN  45           HB2      ASN  45  -9.827   4.672  -9.836
  314   2HB   ASN  45           HB1      ASN  45  -8.696   6.014  -9.983
  315   1HD2  ASN  45          HD22      ASN  45  -8.990   6.225 -13.507
  316   2HD2  ASN  45          HD21      ASN  45  -8.136   6.748 -12.138
  317    H    GLY  46           HN       GLY  46  -6.184   3.616  -8.301
  318   1HA   GLY  46           HA2      GLY  46  -4.148   4.507  -7.580
  319   2HA   GLY  46           HA1      GLY  46  -4.014   5.352  -9.116
  320    H    THR  47           HN       THR  47  -7.001   5.994  -7.708
  321    HA   THR  47           HA       THR  47  -6.185   8.732  -7.072
  322    HB   THR  47           HB       THR  47  -8.416   8.069  -8.120
  323    HG1  THR  47           HG1      THR  47  -8.009  10.095  -7.080
  324   1HG2  THR  47          HG21      THR  47  -8.517   6.362  -5.921
  325   2HG2  THR  47          HG23      THR  47  -9.660   7.642  -5.518
  326   3HG2  THR  47          HG22      THR  47  -9.852   6.728  -7.014
  327    H    LEU  48           HN       LEU  48  -5.830   5.918  -5.432
  328    HA   LEU  48           HA       LEU  48  -6.702   6.846  -2.792
  329   1HB   LEU  48           HB2      LEU  48  -6.946   4.528  -2.977
  330   2HB   LEU  48           HB1      LEU  48  -5.457   4.344  -3.903
  331    HG   LEU  48           HG       LEU  48  -4.147   4.909  -1.862
  332   1HD1  LEU  48          HD13      LEU  48  -6.206   6.186  -0.914
  333   2HD1  LEU  48          HD12      LEU  48  -6.678   4.608  -0.282
  334   3HD1  LEU  48          HD11      LEU  48  -5.142   5.330   0.202
  335   1HD2  LEU  48          HD23      LEU  48  -4.969   2.530  -2.516
  336   2HD2  LEU  48          HD22      LEU  48  -4.341   2.770  -0.886
  337   3HD2  LEU  48          HD21      LEU  48  -6.082   2.706  -1.159
  338    H    THR  49           HN       THR  49  -5.414   7.965  -1.427
  339    HA   THR  49           HA       THR  49  -2.487   8.048  -2.033
  340    HB   THR  49           HB       THR  49  -2.410  10.290  -1.264
  341    HG1  THR  49           HG1      THR  49  -3.550  10.455   0.515
  342   1HG2  THR  49          HG23      THR  49  -4.452   9.543  -3.177
  343   2HG2  THR  49          HG22      THR  49  -4.901  11.027  -2.337
  344   3HG2  THR  49          HG21      THR  49  -3.365  10.931  -3.199
  345    H    LEU  50           HN       LEU  50  -1.082   7.761  -0.259
  346    HA   LEU  50           HA       LEU  50  -2.216   6.253   1.926
  347   1HB   LEU  50           HB2      LEU  50  -0.127   5.509   1.131
  348   2HB   LEU  50           HB1      LEU  50   0.532   7.141   1.063
  349    HG   LEU  50           HG       LEU  50   0.305   7.146   3.626
  350   1HD1  LEU  50          HD13      LEU  50  -0.837   4.611   2.992
  351   2HD1  LEU  50          HD12      LEU  50   0.677   4.314   3.847
  352   3HD1  LEU  50          HD11      LEU  50  -0.575   5.306   4.592
  353   1HD2  LEU  50          HD23      LEU  50   2.247   5.917   1.829
  354   2HD2  LEU  50          HD22      LEU  50   2.514   6.997   3.197
  355   3HD2  LEU  50          HD21      LEU  50   2.336   5.263   3.464
  356    H    SER  51           HN       SER  51  -1.552   6.872   4.248
  357    HA   SER  51           HA       SER  51  -1.806   9.818   4.595
  358   1HB   SER  51           HB2      SER  51  -3.550   7.702   5.559
  359   2HB   SER  51           HB1      SER  51  -2.806   8.508   6.874
  360    HG   SER  51           HG       SER  51  -3.463  10.507   5.884
  361    H    HIS  52           HN       HIS  52  -0.460   6.766   5.746
  362    HA   HIS  52           HA       HIS  52   1.969   7.907   6.650
  363   1HB   HIS  52           HB2      HIS  52   1.735   8.076   9.016
  364   2HB   HIS  52           HB1      HIS  52   0.324   8.909   8.363
  365    HD1  HIS  52           HD1      HIS  52   1.172   6.463  10.821
  366    HD2  HIS  52           HD2      HIS  52  -1.954   6.839   8.088
  367    HE1  HIS  52           HE1      HIS  52  -0.674   4.921  11.619
  368    H    PHE  53           HN       PHE  53   3.417   6.237   7.126
  369    HA   PHE  53           HA       PHE  53   2.574   3.538   6.582
  370   1HB   PHE  53           HB2      PHE  53   5.123   4.730   7.689
  371   2HB   PHE  53           HB1      PHE  53   4.916   2.990   7.487
  372    HD1  PHE  53           HD2      PHE  53   4.524   6.205   5.597
  373    HD2  PHE  53           HD1      PHE  53   5.416   2.007   5.422
  374    HE1  PHE  53           HE2      PHE  53   5.059   6.420   3.187
  375    HE2  PHE  53           HE1      PHE  53   5.954   2.222   3.009
  376    HZ   PHE  53           HZ       PHE  53   5.775   4.430   1.893
  377    H    GLY  54           HN       GLY  54   2.847   1.717   8.214
  378   1HA   GLY  54           HA2      GLY  54   2.787   0.926  10.476
  379   2HA   GLY  54           HA1      GLY  54   2.437   2.564  11.002
  380    H    LYS  55           HN       LYS  55   0.836   0.601  11.922
  381    HA   LYS  55           HA       LYS  55  -1.536   0.296  10.251
  382   1HB   LYS  55           HB2      LYS  55  -2.318  -0.207  12.910
  383   2HB   LYS  55           HB1      LYS  55  -1.900  -1.400  11.686
  384   1HG   LYS  55           HG2      LYS  55   0.480  -1.241  12.370
  385   2HG   LYS  55           HG1      LYS  55   0.024  -0.098  13.633
  386   1HD   LYS  55           HD2      LYS  55  -1.312  -1.749  14.759
  387   2HD   LYS  55           HD1      LYS  55  -1.157  -2.876  13.411
  388   1HE   LYS  55           HE2      LYS  55   0.399  -3.592  15.102
  389   2HE   LYS  55           HE1      LYS  55   1.345  -2.853  13.810
  390   1HZ   LYS  55           HZ1      LYS  55   0.457  -0.973  15.790
  391   2HZ   LYS  55           HZ3      LYS  55   1.462  -2.179  16.431
  392   3HZ   LYS  55           HZ2      LYS  55   2.010  -1.216  15.142
  393    H    CYS  56           HN       CYS  56  -3.157   1.744  10.054
  394    HA   CYS  56           HA       CYS  56  -3.057   4.334  11.213
  395   1HB   CYS  56           HB2      CYS  56  -4.613   3.046   9.290
  396   2HB   CYS  56           HB1      CYS  56  -5.770   3.480  10.549
   
  No H/Q in entry =         396
  Start of MODEL          34
 Raw file had  401 H/Q atoms
  Start of MODEL   34
    1   1H    LEU   1           HT1      LEU   1  12.542  12.485   4.325
    2   2H    LEU   1           HT3      LEU   1  13.855  13.220   5.106
    3   3H    LEU   1           HT2      LEU   1  12.370  13.053   5.916
    4    HA   LEU   1           HA       LEU   1  11.450  14.833   4.935
    5   1HB   LEU   1           HB2      LEU   1  14.355  15.114   5.127
    6   2HB   LEU   1           HB1      LEU   1  13.653  16.202   3.929
    7    HG   LEU   1           HG       LEU   1  12.117  16.027   6.435
    8   1HD1  LEU   1          HD12      LEU   1  15.010  16.504   6.480
    9   2HD1  LEU   1          HD11      LEU   1  14.084  17.837   7.167
   10   3HD1  LEU   1          HD13      LEU   1  13.901  16.208   7.820
   11   1HD2  LEU   1          HD23      LEU   1  12.658  17.848   4.267
   12   2HD2  LEU   1          HD22      LEU   1  11.392  17.940   5.490
   13   3HD2  LEU   1          HD21      LEU   1  12.972  18.656   5.802
   14    H    ALA   2           HN       ALA   2  10.370  13.737   3.145
   15    HA   ALA   2           HA       ALA   2  10.974  14.876   0.585
   16   1HB   ALA   2           HB3      ALA   2  12.477  12.554   1.197
   17   2HB   ALA   2           HB2      ALA   2  11.233  12.054   0.052
   18   3HB   ALA   2           HB1      ALA   2  12.342  13.360  -0.366
   19    H    ALA   3           HN       ALA   3   9.689  13.286  -1.153
   20    HA   ALA   3           HA       ALA   3   6.951  13.527  -0.488
   21   1HB   ALA   3           HB3      ALA   3   7.891  13.242  -2.807
   22   2HB   ALA   3           HB2      ALA   3   8.133  11.532  -2.442
   23   3HB   ALA   3           HB1      ALA   3   6.503  12.205  -2.470
   24    H    VAL   4           HN       VAL   4   5.394  11.962   0.183
   25    HA   VAL   4           HA       VAL   4   6.569   9.498   1.412
   26    HB   VAL   4           HB       VAL   4   4.867   9.689   3.184
   27   1HG1  VAL   4          HG12      VAL   4   7.091  10.799   3.439
   28   2HG1  VAL   4          HG11      VAL   4   6.386  12.288   2.811
   29   3HG1  VAL   4          HG13      VAL   4   5.814  11.618   4.338
   30   1HG2  VAL   4          HG23      VAL   4   3.919  11.846   1.380
   31   2HG2  VAL   4          HG22      VAL   4   3.002  10.807   2.470
   32   3HG2  VAL   4          HG21      VAL   4   3.857  12.213   3.104
   33    H    SER   5           HN       SER   5   5.905   7.822   0.147
   34    HA   SER   5           HA       SER   5   3.118   7.181  -0.125
   35   1HB   SER   5           HB2      SER   5   3.851   9.086  -1.946
   36   2HB   SER   5           HB1      SER   5   4.183   7.611  -2.850
   37    HG   SER   5           HG       SER   5   1.796   7.773  -1.410
   38    H    VAL   6           HN       VAL   6   3.116   5.498  -2.273
   39    HA   VAL   6           HA       VAL   6   5.507   3.754  -1.848
   40    HB   VAL   6           HB       VAL   6   2.715   2.687  -2.286
   41   1HG1  VAL   6          HG12      VAL   6   4.963   1.371  -2.608
   42   2HG1  VAL   6          HG11      VAL   6   4.991   1.349  -0.844
   43   3HG1  VAL   6          HG13      VAL   6   3.645   0.614  -1.715
   44   1HG2  VAL   6          HG22      VAL   6   3.074   4.167  -0.155
   45   2HG2  VAL   6          HG21      VAL   6   2.329   2.579   0.026
   46   3HG2  VAL   6          HG23      VAL   6   4.034   2.802   0.419
   47    H    ASP   7           HN       ASP   7   6.059   2.427  -3.689
   48    HA   ASP   7           HA       ASP   7   5.377   3.707  -6.241
   49   1HB   ASP   7           HB2      ASP   7   7.698   2.852  -5.616
   50   2HB   ASP   7           HB1      ASP   7   7.056   1.223  -5.827
   51    H    CYS   8           HN       CYS   8   4.372   2.584  -8.011
   52    HA   CYS   8           HA       CYS   8   3.096  -0.023  -7.374
   53   1HB   CYS   8           HB2      CYS   8   1.661   2.558  -7.963
   54   2HB   CYS   8           HB1      CYS   8   0.937   1.010  -8.404
   55    H    SER   9           HN       SER   9   5.240   0.605  -9.187
   56    HA   SER   9           HA       SER   9   4.012   0.700 -11.871
   57   1HB   SER   9           HB2      SER   9   6.215   1.867 -11.205
   58   2HB   SER   9           HB1      SER   9   6.937   0.262 -11.266
   59    HG   SER   9           HG       SER   9   5.338   1.101 -13.404
   60    H    GLU  10           HN       GLU  10   4.011  -1.639  -9.766
   61    HA   GLU  10           HA       GLU  10   4.355  -3.742 -11.828
   62   1HB   GLU  10           HB2      GLU  10   5.501  -4.249  -9.094
   63   2HB   GLU  10           HB1      GLU  10   5.876  -5.046 -10.621
   64   1HG   GLU  10           HG2      GLU  10   7.752  -3.711 -10.399
   65   2HG   GLU  10           HG1      GLU  10   6.703  -2.613 -11.295
   66    H    TYR  11           HN       TYR  11   2.062  -2.509 -10.478
   67    HA   TYR  11           HA       TYR  11   1.028  -4.883  -9.014
   68   1HB   TYR  11           HB2      TYR  11   0.735  -1.928  -8.548
   69   2HB   TYR  11           HB1      TYR  11  -0.522  -3.019  -7.980
   70    HD1  TYR  11           HD1      TYR  11   0.042  -4.823  -6.316
   71    HD2  TYR  11           HD2      TYR  11   2.899  -1.870  -7.553
   72    HE1  TYR  11           HE1      TYR  11   1.489  -5.402  -4.376
   73    HE2  TYR  11           HE2      TYR  11   4.344  -2.452  -5.632
   74    HH   TYR  11           HH       TYR  11   4.721  -4.356  -4.132
   75    HA   PRO  12           HA       PRO  12  -1.000  -4.738  -7.997
   76   1HB   PRO  12           HB2      PRO  12  -3.206  -6.381  -8.110
   77   2HB   PRO  12           HB1      PRO  12  -3.313  -4.621  -7.952
   78   1HG   PRO  12           HG2      PRO  12  -3.956  -6.310 -10.292
   79   2HG   PRO  12           HG1      PRO  12  -4.429  -4.635  -9.963
   80   1HD   PRO  12           HD2      PRO  12  -2.299  -5.570 -11.658
   81   2HD   PRO  12           HD1      PRO  12  -2.796  -3.918 -11.430
   82    H    LYS  13           HN       LYS  13  -0.915  -6.934  -6.873
   83    HA   LYS  13           HA       LYS  13   0.114  -9.053  -8.713
   84   1HB   LYS  13           HB2      LYS  13   1.229  -8.137  -6.050
   85   2HB   LYS  13           HB1      LYS  13   1.712  -9.635  -6.839
   86   1HG   LYS  13           HG2      LYS  13   2.593  -8.463  -8.735
   87   2HG   LYS  13           HG1      LYS  13   1.868  -6.944  -8.209
   88   1HD   LYS  13           HD2      LYS  13   3.421  -6.642  -6.491
   89   2HD   LYS  13           HD1      LYS  13   3.807  -8.362  -6.405
   90   1HE   LYS  13           HE2      LYS  13   4.442  -6.730  -8.864
   91   2HE   LYS  13           HE1      LYS  13   5.560  -6.818  -7.503
   92   1HZ   LYS  13           HZ3      LYS  13   4.455  -9.189  -8.904
   93   2HZ   LYS  13           HZ2      LYS  13   5.969  -8.500  -9.251
   94   3HZ   LYS  13           HZ1      LYS  13   5.670  -9.177  -7.722
   95    HA   PRO  14           HA       PRO  14  -2.956 -11.385  -6.502
   96   1HB   PRO  14           HB2      PRO  14  -2.475 -13.773  -7.769
   97   2HB   PRO  14           HB1      PRO  14  -3.385 -12.439  -8.498
   98   1HG   PRO  14           HG2      PRO  14  -0.618 -13.365  -9.089
   99   2HG   PRO  14           HG1      PRO  14  -1.754 -12.491 -10.129
  100   1HD   PRO  14           HD2      PRO  14   0.453 -11.380  -8.767
  101   2HD   PRO  14           HD1      PRO  14  -0.835 -10.477  -9.538
  102    H    ALA  15           HN       ALA  15   0.116 -11.311  -5.741
  103    HA   ALA  15           HA       ALA  15  -0.102 -13.098  -3.487
  104   1HB   ALA  15           HB1      ALA  15   0.469 -14.555  -5.647
  105   2HB   ALA  15           HB3      ALA  15   2.101 -13.973  -5.316
  106   3HB   ALA  15           HB2      ALA  15   1.228 -14.896  -4.092
  107    H    CYS  16           HN       CYS  16   1.322 -12.354  -1.913
  108    HA   CYS  16           HA       CYS  16   3.837 -11.062  -2.707
  109   1HB   CYS  16           HB2      CYS  16   1.458  -9.503  -1.744
  110   2HB   CYS  16           HB1      CYS  16   3.080  -8.967  -1.317
  111    H    THR  17           HN       THR  17   5.278 -11.683  -1.187
  112    HA   THR  17           HA       THR  17   4.449 -12.636   1.434
  113    HB   THR  17           HB       THR  17   7.062 -12.252   1.812
  114    HG1  THR  17           HG1      THR  17   7.083 -12.707  -0.943
  115   1HG2  THR  17          HG21      THR  17   5.477 -14.385   0.532
  116   2HG2  THR  17          HG23      THR  17   7.205 -14.462   0.195
  117   3HG2  THR  17          HG22      THR  17   6.630 -14.482   1.862
  118    H    LEU  18           HN       LEU  18   7.056 -10.424   1.423
  119    HA   LEU  18           HA       LEU  18   7.305  -8.346   2.389
  120   1HB   LEU  18           HB2      LEU  18   4.497  -8.222   1.369
  121   2HB   LEU  18           HB1      LEU  18   5.263  -6.846   2.165
  122    HG   LEU  18           HG       LEU  18   6.461  -8.302  -0.202
  123   1HD1  LEU  18          HD13      LEU  18   4.460  -6.100  -0.024
  124   2HD1  LEU  18          HD12      LEU  18   5.745  -5.919  -1.219
  125   3HD1  LEU  18          HD11      LEU  18   4.679  -7.323  -1.277
  126   1HD2  LEU  18          HD22      LEU  18   7.087  -5.739   1.281
  127   2HD2  LEU  18          HD21      LEU  18   8.139  -7.136   1.046
  128   3HD2  LEU  18          HD23      LEU  18   7.739  -6.092  -0.319
  129    H    GLU  19           HN       GLU  19   7.698  -8.958   4.404
  130    HA   GLU  19           HA       GLU  19   6.129 -10.067   6.381
  131   1HB   GLU  19           HB2      GLU  19   7.879  -7.667   6.956
  132   2HB   GLU  19           HB1      GLU  19   7.545  -9.039   8.013
  133   1HG   GLU  19           HG2      GLU  19   9.380 -10.049   7.184
  134   2HG   GLU  19           HG1      GLU  19   8.564 -10.141   5.623
  135    H    TYR  20           HN       TYR  20   5.332  -8.641   8.444
  136    HA   TYR  20           HA       TYR  20   3.044  -7.172   7.406
  137   1HB   TYR  20           HB2      TYR  20   3.107  -8.681   9.488
  138   2HB   TYR  20           HB1      TYR  20   3.856  -7.312  10.309
  139    HD1  TYR  20           HD2      TYR  20   1.138  -7.506   7.726
  140    HD2  TYR  20           HD1      TYR  20   2.266  -6.306  11.694
  141    HE1  TYR  20           HE2      TYR  20  -1.094  -6.463   8.045
  142    HE2  TYR  20           HE1      TYR  20   0.037  -5.266  12.012
  143    HH   TYR  20           HH       TYR  20  -1.931  -4.402   9.720
  144    H    ARG  21           HN       ARG  21   4.079  -5.412   6.361
  145    HA   ARG  21           HA       ARG  21   4.916  -3.225   8.231
  146   1HB   ARG  21           HB2      ARG  21   5.696  -3.167   5.332
  147   2HB   ARG  21           HB1      ARG  21   6.528  -2.471   6.719
  148   1HG   ARG  21           HG2      ARG  21   6.350  -5.435   6.697
  149   2HG   ARG  21           HG1      ARG  21   7.364  -4.720   5.448
  150   1HD   ARG  21           HD2      ARG  21   7.643  -3.691   8.240
  151   2HD   ARG  21           HD1      ARG  21   8.341  -5.265   7.858
  152    HE   ARG  21           HE       ARG  21   9.317  -3.762   5.822
  153   1HH1  ARG  21          HH21      ARG  21   9.287  -1.181   6.755
  154   2HH1  ARG  21          HH22      ARG  21  10.568  -1.041   7.913
  155   1HH2  ARG  21          HH11      ARG  21  10.874  -4.466   8.381
  156   2HH2  ARG  21          HH12      ARG  21  11.471  -2.904   8.830
  157    HA   PRO  22           HA       PRO  22   0.834  -2.595   6.144
  158   1HB   PRO  22           HB2      PRO  22  -0.269  -1.341   8.351
  159   2HB   PRO  22           HB1      PRO  22  -0.319  -3.092   8.038
  160   1HG   PRO  22           HG2      PRO  22   1.440  -1.547   9.908
  161   2HG   PRO  22           HG1      PRO  22   0.799  -3.193  10.072
  162   1HD   PRO  22           HD2      PRO  22   3.407  -2.627   9.325
  163   2HD   PRO  22           HD1      PRO  22   2.561  -4.132   8.907
  164    H    LEU  23           HN       LEU  23   0.119  -0.873   5.026
  165    HA   LEU  23           HA       LEU  23   1.259   1.804   5.746
  166   1HB   LEU  23           HB2      LEU  23   0.481   0.747   3.009
  167   2HB   LEU  23           HB1      LEU  23   1.112   2.362   3.346
  168    HG   LEU  23           HG       LEU  23   2.809   0.315   4.518
  169   1HD1  LEU  23          HD11      LEU  23   1.663  -0.507   2.136
  170   2HD1  LEU  23          HD13      LEU  23   3.193   0.206   1.628
  171   3HD1  LEU  23          HD12      LEU  23   3.182  -1.098   2.813
  172   1HD2  LEU  23          HD22      LEU  23   3.055   2.872   3.481
  173   2HD2  LEU  23          HD21      LEU  23   4.394   1.822   3.946
  174   3HD2  LEU  23          HD23      LEU  23   3.856   1.872   2.269
  175    H    CYS  24           HN       CYS  24  -0.289   3.263   6.345
  176    HA   CYS  24           HA       CYS  24  -3.107   2.509   6.177
  177   1HB   CYS  24           HB2      CYS  24  -2.656   3.667   8.159
  178   2HB   CYS  24           HB1      CYS  24  -1.562   4.780   7.384
  179    H    GLY  25           HN       GLY  25  -4.665   3.437   4.889
  180   1HA   GLY  25           HA2      GLY  25  -3.895   4.619   2.349
  181   2HA   GLY  25           HA1      GLY  25  -5.469   4.367   2.925
  182    H    SER  26           HN       SER  26  -5.322   6.751   1.744
  183    HA   SER  26           HA       SER  26  -4.657   8.738   3.841
  184   1HB   SER  26           HB2      SER  26  -4.083   9.007   1.323
  185   2HB   SER  26           HB1      SER  26  -5.793   9.377   1.118
  186    HG   SER  26           HG       SER  26  -5.311  11.298   1.794
  187    H    ASP  27           HN       ASP  27  -7.204   6.814   3.171
  188    HA   ASP  27           HA       ASP  27  -9.212   8.890   3.920
  189   1HB   ASP  27           HB2      ASP  27 -10.773   6.823   3.243
  190   2HB   ASP  27           HB1      ASP  27 -10.148   7.945   2.035
  191    H    ASN  28           HN       ASN  28  -7.850   5.748   4.752
  192    HA   ASN  28           HA       ASN  28  -7.823   5.639   7.388
  193   1HB   ASN  28           HB2      ASN  28 -10.721   5.852   6.677
  194   2HB   ASN  28           HB1      ASN  28 -10.269   4.736   7.952
  195   1HD2  ASN  28          HD22      ASN  28 -10.666   8.429   9.094
  196   2HD2  ASN  28          HD21      ASN  28 -11.546   7.609   7.897
  197    H    LYS  29           HN       LYS  29  -7.988   3.919   4.618
  198    HA   LYS  29           HA       LYS  29  -8.694   1.360   5.958
  199   1HB   LYS  29           HB2      LYS  29  -7.886   1.362   3.089
  200   2HB   LYS  29           HB1      LYS  29  -9.176   0.485   3.904
  201   1HG   LYS  29           HG2      LYS  29 -10.446   2.627   4.126
  202   2HG   LYS  29           HG1      LYS  29  -9.199   3.413   3.165
  203   1HD   LYS  29           HD2      LYS  29 -10.067   2.623   1.243
  204   2HD   LYS  29           HD1      LYS  29 -10.117   0.979   1.880
  205   1HE   LYS  29           HE2      LYS  29 -12.165   1.981   3.272
  206   2HE   LYS  29           HE1      LYS  29 -12.235   3.084   1.897
  207   1HZ   LYS  29           HZ1      LYS  29 -11.841   0.472   0.951
  208   2HZ   LYS  29           HZ3      LYS  29 -13.144   0.451   2.036
  209   3HZ   LYS  29           HZ2      LYS  29 -13.172   1.497   0.697
  210    H    THR  30           HN       THR  30  -7.086   0.245   6.869
  211    HA   THR  30           HA       THR  30  -4.276   0.805   6.211
  212    HB   THR  30           HB       THR  30  -5.692  -0.958   8.219
  213    HG1  THR  30           HG1      THR  30  -4.991   0.524   9.592
  214   1HG2  THR  30          HG23      THR  30  -2.792  -0.967   7.403
  215   2HG2  THR  30          HG22      THR  30  -3.251  -1.336   9.064
  216   3HG2  THR  30          HG21      THR  30  -3.850  -2.336   7.741
  217    H    TYR  31           HN       TYR  31  -2.808  -0.799   5.410
  218    HA   TYR  31           HA       TYR  31  -4.097  -3.206   4.195
  219   1HB   TYR  31           HB2      TYR  31  -2.207  -1.221   2.957
  220   2HB   TYR  31           HB1      TYR  31  -2.291  -2.871   2.356
  221    HD1  TYR  31           HD1      TYR  31  -4.343   0.167   3.041
  222    HD2  TYR  31           HD2      TYR  31  -4.125  -3.631   1.045
  223    HE1  TYR  31           HE1      TYR  31  -6.438   0.688   1.822
  224    HE2  TYR  31           HE2      TYR  31  -6.217  -3.107  -0.177
  225    HH   TYR  31           HH       TYR  31  -8.328  -0.775   0.712
  226    H    GLY  32           HN       GLY  32  -2.625  -5.083   4.036
  227   1HA   GLY  32           HA2      GLY  32  -1.086  -5.426   6.369
  228   2HA   GLY  32           HA1      GLY  32  -0.949  -6.457   4.955
  229    H    ASN  33           HN       ASN  33  -0.121  -4.161   3.229
  230    HA   ASN  33           HA       ASN  33   2.152  -2.904   4.336
  231   1HB   ASN  33           HB2      ASN  33   3.973  -4.304   3.464
  232   2HB   ASN  33           HB1      ASN  33   2.972  -5.218   4.560
  233   1HD2  ASN  33          HD22      ASN  33   2.994  -7.610   1.910
  234   2HD2  ASN  33          HD21      ASN  33   3.686  -7.201   3.403
  235    H    LYS  34           HN       LYS  34   3.856  -3.287   1.960
  236    HA   LYS  34           HA       LYS  34   2.702  -1.220   0.372
  237   1HB   LYS  34           HB2      LYS  34   4.709  -1.746  -1.082
  238   2HB   LYS  34           HB1      LYS  34   5.067  -1.305   0.573
  239   1HG   LYS  34           HG2      LYS  34   5.628  -3.487   1.169
  240   2HG   LYS  34           HG1      LYS  34   4.686  -4.198  -0.142
  241   1HD   LYS  34           HD2      LYS  34   7.209  -2.561  -0.538
  242   2HD   LYS  34           HD1      LYS  34   7.154  -4.325  -0.539
  243   1HE   LYS  34           HE2      LYS  34   6.669  -4.230  -2.739
  244   2HE   LYS  34           HE1      LYS  34   5.114  -3.522  -2.301
  245   1HZ   LYS  34           HZ2      LYS  34   6.733  -1.407  -2.099
  246   2HZ   LYS  34           HZ1      LYS  34   7.491  -2.254  -3.362
  247   3HZ   LYS  34           HZ3      LYS  34   5.862  -1.801  -3.503
  248    H    CYS  35           HN       CYS  35   2.934  -4.745  -0.117
  249    HA   CYS  35           HA       CYS  35   2.008  -4.611  -2.815
  250   1HB   CYS  35           HB2      CYS  35   2.805  -6.651  -0.929
  251   2HB   CYS  35           HB1      CYS  35   1.331  -7.127  -1.766
  252    H    ASN  36           HN       ASN  36   0.428  -5.458   0.258
  253    HA   ASN  36           HA       ASN  36  -2.208  -5.754  -0.831
  254   1HB   ASN  36           HB2      ASN  36  -2.046  -4.648   1.916
  255   2HB   ASN  36           HB1      ASN  36  -2.902  -6.068   1.329
  256   1HD2  ASN  36          HD22      ASN  36   0.272  -8.011   1.483
  257   2HD2  ASN  36          HD21      ASN  36  -0.844  -7.598   0.285
  258    H    PHE  37           HN       PHE  37  -0.451  -2.972   0.443
  259    HA   PHE  37           HA       PHE  37  -2.663  -1.124   0.374
  260   1HB   PHE  37           HB2      PHE  37  -0.476  -0.905   1.597
  261   2HB   PHE  37           HB1      PHE  37   0.256  -0.366   0.195
  262    HD1  PHE  37           HD1      PHE  37  -2.623   0.471   2.390
  263    HD2  PHE  37           HD2      PHE  37   0.117   1.687  -0.640
  264    HE1  PHE  37           HE1      PHE  37  -3.502   2.776   2.559
  265    HE2  PHE  37           HE2      PHE  37  -0.720   3.997  -0.510
  266    HZ   PHE  37           HZ       PHE  37  -2.520   4.568   1.094
  267    H    CYS  38           HN       CYS  38  -0.171  -2.005  -1.854
  268    HA   CYS  38           HA       CYS  38  -0.944   0.140  -3.703
  269   1HB   CYS  38           HB2      CYS  38   1.385  -0.601  -3.792
  270   2HB   CYS  38           HB1      CYS  38   0.883  -2.230  -4.247
  271    H    ASN  39           HN       ASN  39  -1.869  -3.173  -3.157
  272    HA   ASN  39           HA       ASN  39  -3.038  -3.683  -5.739
  273   1HB   ASN  39           HB2      ASN  39  -3.250  -4.837  -3.002
  274   2HB   ASN  39           HB1      ASN  39  -4.631  -5.107  -4.061
  275   1HD2  ASN  39          HD22      ASN  39  -1.606  -7.522  -4.546
  276   2HD2  ASN  39          HD21      ASN  39  -2.065  -6.758  -3.107
  277    H    ALA  40           HN       ALA  40  -3.824  -1.634  -3.115
  278    HA   ALA  40           HA       ALA  40  -6.637  -1.312  -3.944
  279   1HB   ALA  40           HB1      ALA  40  -4.996   0.075  -1.795
  280   2HB   ALA  40           HB3      ALA  40  -6.726   0.300  -2.050
  281   3HB   ALA  40           HB2      ALA  40  -6.107  -1.268  -1.534
  282    H    VAL  41           HN       VAL  41  -3.574   0.457  -3.836
  283    HA   VAL  41           HA       VAL  41  -4.470   2.910  -4.974
  284    HB   VAL  41           HB       VAL  41  -1.782   1.526  -5.250
  285   1HG1  VAL  41          HG13      VAL  41  -2.728   3.768  -6.590
  286   2HG1  VAL  41          HG12      VAL  41  -1.841   4.447  -5.226
  287   3HG1  VAL  41          HG11      VAL  41  -1.033   3.351  -6.345
  288   1HG2  VAL  41          HG21      VAL  41  -3.091   2.527  -2.962
  289   2HG2  VAL  41          HG23      VAL  41  -1.386   2.099  -3.104
  290   3HG2  VAL  41          HG22      VAL  41  -1.906   3.758  -3.401
  291    H    VAL  42           HN       VAL  42  -3.874  -0.219  -6.316
  292    HA   VAL  42           HA       VAL  42  -3.877   0.757  -9.103
  293    HB   VAL  42           HB       VAL  42  -3.696  -1.684  -9.660
  294   1HG1  VAL  42          HG12      VAL  42  -1.743  -0.048  -8.746
  295   2HG1  VAL  42          HG11      VAL  42  -1.641  -1.347  -7.559
  296   3HG1  VAL  42          HG13      VAL  42  -1.449  -1.705  -9.274
  297   1HG2  VAL  42          HG21      VAL  42  -4.331  -1.869  -6.805
  298   2HG2  VAL  42          HG23      VAL  42  -4.588  -3.043  -8.089
  299   3HG2  VAL  42          HG22      VAL  42  -3.006  -2.900  -7.326
  300    H    GLU  43           HN       GLU  43  -5.954  -0.938  -6.801
  301    HA   GLU  43           HA       GLU  43  -8.099  -1.183  -8.827
  302   1HB   GLU  43           HB2      GLU  43  -7.420  -2.797  -6.724
  303   2HB   GLU  43           HB1      GLU  43  -8.700  -1.833  -6.011
  304   1HG   GLU  43           HG2      GLU  43 -10.313  -2.626  -7.457
  305   2HG   GLU  43           HG1      GLU  43  -9.148  -2.937  -8.746
  306    H    SER  44           HN       SER  44  -7.047   1.436  -7.509
  307    HA   SER  44           HA       SER  44  -9.781   2.460  -6.894
  308   1HB   SER  44           HB2      SER  44  -8.937   2.248  -4.704
  309   2HB   SER  44           HB1      SER  44  -7.312   2.728  -5.188
  310    HG   SER  44           HG       SER  44  -7.879   4.705  -4.801
  311    H    ASN  45           HN       ASN  45  -7.407   2.676  -9.007
  312    HA   ASN  45           HA       ASN  45  -6.773   4.343 -10.527
  313   1HB   ASN  45           HB2      ASN  45  -9.220   5.459  -9.250
  314   2HB   ASN  45           HB1      ASN  45  -8.153   6.616 -10.040
  315   1HD2  ASN  45          HD22      ASN  45 -10.143   3.849 -12.308
  316   2HD2  ASN  45          HD21      ASN  45 -10.070   3.664 -10.622
  317    H    GLY  46           HN       GLY  46  -6.033   4.275  -7.413
  318   1HA   GLY  46           HA2      GLY  46  -4.142   5.263  -6.372
  319   2HA   GLY  46           HA1      GLY  46  -4.067   6.444  -7.677
  320    H    THR  47           HN       THR  47  -7.184   6.061  -6.307
  321    HA   THR  47           HA       THR  47  -6.984   8.756  -5.126
  322    HB   THR  47           HB       THR  47  -9.349   8.754  -5.077
  323    HG1  THR  47           HG1      THR  47 -10.545   6.893  -5.040
  324   1HG2  THR  47          HG21      THR  47  -7.999   7.813  -7.409
  325   2HG2  THR  47          HG23      THR  47  -9.565   7.004  -7.323
  326   3HG2  THR  47          HG22      THR  47  -9.480   8.766  -7.318
  327    H    LEU  48           HN       LEU  48  -6.257   5.739  -4.056
  328    HA   LEU  48           HA       LEU  48  -7.485   5.844  -1.414
  329   1HB   LEU  48           HB2      LEU  48  -7.075   3.639  -2.036
  330   2HB   LEU  48           HB1      LEU  48  -5.580   4.050  -2.869
  331    HG   LEU  48           HG       LEU  48  -4.415   4.326  -0.755
  332   1HD1  LEU  48          HD12      LEU  48  -7.152   4.498   0.235
  333   2HD1  LEU  48          HD11      LEU  48  -6.167   3.393   1.195
  334   3HD1  LEU  48          HD13      LEU  48  -5.657   5.066   0.975
  335   1HD2  LEU  48          HD21      LEU  48  -5.832   1.854  -1.466
  336   2HD2  LEU  48          HD23      LEU  48  -4.140   2.089  -1.027
  337   3HD2  LEU  48          HD22      LEU  48  -5.362   1.912   0.233
  338    H    THR  49           HN       THR  49  -4.128   5.918  -2.487
  339    HA   THR  49           HA       THR  49  -2.228   6.938  -1.652
  340    HB   THR  49           HB       THR  49  -3.083   9.137  -0.262
  341    HG1  THR  49           HG1      THR  49  -4.873   9.901  -1.468
  342   1HG2  THR  49          HG23      THR  49  -1.640   8.720  -2.448
  343   2HG2  THR  49          HG22      THR  49  -3.120   9.261  -3.240
  344   3HG2  THR  49          HG21      THR  49  -2.301  10.315  -2.088
  345    H    LEU  50           HN       LEU  50  -1.216   7.594   0.551
  346    HA   LEU  50           HA       LEU  50  -2.588   6.069   2.688
  347   1HB   LEU  50           HB2      LEU  50  -0.781   4.711   2.531
  348   2HB   LEU  50           HB1      LEU  50   0.010   5.808   1.416
  349    HG   LEU  50           HG       LEU  50   0.262   7.018   3.964
  350   1HD1  LEU  50          HD12      LEU  50   0.323   4.050   3.979
  351   2HD1  LEU  50          HD11      LEU  50   1.562   4.905   4.899
  352   3HD1  LEU  50          HD13      LEU  50  -0.144   5.174   5.257
  353   1HD2  LEU  50          HD21      LEU  50   2.033   5.546   2.031
  354   2HD2  LEU  50          HD23      LEU  50   2.030   7.260   2.443
  355   3HD2  LEU  50          HD22      LEU  50   2.683   6.082   3.581
  356    H    SER  51           HN       SER  51  -2.061   6.809   4.888
  357    HA   SER  51           HA       SER  51  -1.820   9.714   4.981
  358   1HB   SER  51           HB2      SER  51  -2.981   9.515   6.927
  359   2HB   SER  51           HB1      SER  51  -3.775   8.283   6.088
  360    HG   SER  51           HG       SER  51  -2.690   8.134   8.374
  361    H    HIS  52           HN       HIS  52  -0.789   6.853   6.814
  362    HA   HIS  52           HA       HIS  52   1.891   8.067   7.220
  363   1HB   HIS  52           HB2      HIS  52   1.831   7.601   9.586
  364   2HB   HIS  52           HB1      HIS  52   0.343   8.476   9.213
  365    HD1  HIS  52           HD1      HIS  52   1.504   5.433  10.790
  366    HD2  HIS  52           HD2      HIS  52  -1.898   6.495   8.634
  367    HE1  HIS  52           HE1      HIS  52  -0.220   3.623  11.197
  368    H    PHE  53           HN       PHE  53   3.541   6.413   7.546
  369    HA   PHE  53           HA       PHE  53   2.917   3.872   6.294
  370   1HB   PHE  53           HB2      PHE  53   5.369   4.889   7.750
  371   2HB   PHE  53           HB1      PHE  53   5.269   3.286   7.020
  372    HD1  PHE  53           HD2      PHE  53   4.917   6.924   6.254
  373    HD2  PHE  53           HD1      PHE  53   5.637   2.982   4.709
  374    HE1  PHE  53           HE2      PHE  53   5.463   7.893   4.038
  375    HE2  PHE  53           HE1      PHE  53   6.181   3.950   2.491
  376    HZ   PHE  53           HZ       PHE  53   6.093   6.406   2.155
  377    H    GLY  54           HN       GLY  54   1.782   2.334   7.383
  378   1HA   GLY  54           HA2      GLY  54   2.386   0.768   9.430
  379   2HA   GLY  54           HA1      GLY  54   1.917   2.212  10.306
  380    H    LYS  55           HN       LYS  55   0.345   0.392  10.992
  381    HA   LYS  55           HA       LYS  55  -1.947   0.054   9.166
  382   1HB   LYS  55           HB2      LYS  55  -2.796  -0.931  11.588
  383   2HB   LYS  55           HB1      LYS  55  -2.023  -1.899  10.340
  384   1HG   LYS  55           HG2      LYS  55   0.103  -1.734  11.407
  385   2HG   LYS  55           HG1      LYS  55  -0.438  -0.415  12.447
  386   1HD   LYS  55           HD2      LYS  55  -2.251  -2.418  13.026
  387   2HD   LYS  55           HD1      LYS  55  -0.741  -3.307  12.811
  388   1HE   LYS  55           HE2      LYS  55  -0.576  -2.722  15.055
  389   2HE   LYS  55           HE1      LYS  55   0.249  -1.357  14.302
  390   1HZ   LYS  55           HZ3      LYS  55  -2.177  -0.416  14.221
  391   2HZ   LYS  55           HZ2      LYS  55  -2.412  -1.484  15.521
  392   3HZ   LYS  55           HZ1      LYS  55  -1.230  -0.267  15.622
  393    H    CYS  56           HN       CYS  56  -3.017   2.002   8.977
  394    HA   CYS  56           HA       CYS  56  -3.341   4.098  10.719
  395   1HB   CYS  56           HB2      CYS  56  -4.757   3.115   8.452
  396   2HB   CYS  56           HB1      CYS  56  -5.952   3.544   9.676
   
  No H/Q in entry =         396
  Start of MODEL          35
 Raw file had  401 H/Q atoms
  Start of MODEL   35
    1   1H    LEU   1           HT1      LEU   1  10.297  15.873   1.974
    2   2H    LEU   1           HT3      LEU   1  11.172  15.062   0.769
    3   3H    LEU   1           HT2      LEU   1  11.556  16.669   1.158
    4    HA   LEU   1           HA       LEU   1   9.797  17.541   0.035
    5   1HB   LEU   1           HB2      LEU   1  11.131  15.349  -1.247
    6   2HB   LEU   1           HB1      LEU   1   9.449  15.370  -1.778
    7    HG   LEU   1           HG       LEU   1  10.446  18.069  -1.695
    8   1HD1  LEU   1          HD11      LEU   1  12.270  15.996  -2.802
    9   2HD1  LEU   1          HD13      LEU   1  12.008  17.424  -3.805
   10   3HD1  LEU   1          HD12      LEU   1  12.642  17.599  -2.168
   11   1HD2  LEU   1          HD23      LEU   1   9.189  16.157  -3.593
   12   2HD2  LEU   1          HD22      LEU   1   8.735  17.816  -3.201
   13   3HD2  LEU   1          HD21      LEU   1  10.063  17.505  -4.320
   14    H    ALA   2           HN       ALA   2   7.539  17.503  -0.467
   15    HA   ALA   2           HA       ALA   2   5.889  16.066   1.355
   16   1HB   ALA   2           HB1      ALA   2   5.187  18.165   0.248
   17   2HB   ALA   2           HB3      ALA   2   5.116  17.321  -1.298
   18   3HB   ALA   2           HB2      ALA   2   4.003  16.881  -0.003
   19    H    ALA   3           HN       ALA   3   3.827  14.901  -0.009
   20    HA   ALA   3           HA       ALA   3   3.203  12.854  -0.968
   21   1HB   ALA   3           HB2      ALA   3   5.019  14.143  -2.788
   22   2HB   ALA   3           HB1      ALA   3   5.296  12.402  -2.830
   23   3HB   ALA   3           HB3      ALA   3   3.687  13.046  -3.156
   24    H    VAL   4           HN       VAL   4   3.658  11.543   0.858
   25    HA   VAL   4           HA       VAL   4   6.256  10.067   0.686
   26    HB   VAL   4           HB       VAL   4   6.055   9.778   3.183
   27   1HG1  VAL   4          HG11      VAL   4   7.304  11.692   1.857
   28   2HG1  VAL   4          HG13      VAL   4   6.077  12.720   2.598
   29   3HG1  VAL   4          HG12      VAL   4   7.168  11.777   3.613
   30   1HG2  VAL   4          HG22      VAL   4   3.798  11.745   2.725
   31   2HG2  VAL   4          HG21      VAL   4   3.714  10.180   3.532
   32   3HG2  VAL   4          HG23      VAL   4   4.565  11.521   4.298
   33    H    SER   5           HN       SER   5   4.986   8.564  -0.694
   34    HA   SER   5           HA       SER   5   3.447   6.663   1.003
   35   1HB   SER   5           HB2      SER   5   1.632   6.560  -0.459
   36   2HB   SER   5           HB1      SER   5   2.032   8.273  -0.519
   37    HG   SER   5           HG       SER   5   3.513   7.459  -2.323
   38    H    VAL   6           HN       VAL   6   3.031   4.592  -0.477
   39    HA   VAL   6           HA       VAL   6   5.698   3.711  -1.310
   40    HB   VAL   6           HB       VAL   6   3.029   2.271  -1.278
   41   1HG1  VAL   6          HG12      VAL   6   5.859   1.308  -1.777
   42   2HG1  VAL   6          HG11      VAL   6   4.512   0.229  -1.413
   43   3HG1  VAL   6          HG13      VAL   6   4.488   1.204  -2.882
   44   1HG2  VAL   6          HG22      VAL   6   4.128   3.069   0.923
   45   2HG2  VAL   6          HG21      VAL   6   3.708   1.360   0.802
   46   3HG2  VAL   6          HG23      VAL   6   5.380   1.874   0.578
   47    H    ASP   7           HN       ASP   7   5.904   2.496  -3.432
   48    HA   ASP   7           HA       ASP   7   4.496   4.041  -5.561
   49   1HB   ASP   7           HB2      ASP   7   6.985   4.173  -5.519
   50   2HB   ASP   7           HB1      ASP   7   7.056   2.422  -5.729
   51    H    CYS   8           HN       CYS   8   3.004   2.951  -6.757
   52    HA   CYS   8           HA       CYS   8   3.147  -0.031  -6.724
   53   1HB   CYS   8           HB2      CYS   8   0.638   1.594  -7.179
   54   2HB   CYS   8           HB1      CYS   8   0.759  -0.126  -6.808
   55    H    SER   9           HN       SER   9   4.578   1.533  -8.627
   56    HA   SER   9           HA       SER   9   2.980   1.604 -11.086
   57   1HB   SER   9           HB2      SER   9   4.758   3.278 -10.712
   58   2HB   SER   9           HB1      SER   9   5.959   1.990 -10.668
   59    HG   SER   9           HG       SER   9   5.989   2.563 -12.743
   60    H    GLU  10           HN       GLU  10   4.007  -0.895  -9.410
   61    HA   GLU  10           HA       GLU  10   4.591  -2.512 -11.850
   62   1HB   GLU  10           HB2      GLU  10   5.796  -3.150  -9.155
   63   2HB   GLU  10           HB1      GLU  10   6.284  -3.744 -10.743
   64   1HG   GLU  10           HG2      GLU  10   7.866  -2.119 -10.645
   65   2HG   GLU  10           HG1      GLU  10   6.543  -1.024 -11.051
   66    H    TYR  11           HN       TYR  11   2.270  -1.838  -9.908
   67    HA   TYR  11           HA       TYR  11   1.558  -4.589  -9.067
   68   1HB   TYR  11           HB2      TYR  11   0.868  -1.808  -8.182
   69   2HB   TYR  11           HB1      TYR  11  -0.313  -3.076  -7.888
   70    HD1  TYR  11           HD2      TYR  11   3.052  -1.835  -7.140
   71    HD2  TYR  11           HD1      TYR  11   0.228  -4.980  -6.384
   72    HE1  TYR  11           HE2      TYR  11   4.431  -2.607  -5.233
   73    HE2  TYR  11           HE1      TYR  11   1.627  -5.765  -4.476
   74    HH   TYR  11           HH       TYR  11   4.567  -5.247  -4.029
   75    HA   PRO  12           HA       PRO  12  -0.584  -4.796  -8.100
   76   1HB   PRO  12           HB2      PRO  12  -2.669  -6.546  -8.491
   77   2HB   PRO  12           HB1      PRO  12  -2.894  -4.824  -8.143
   78   1HG   PRO  12           HG2      PRO  12  -3.364  -6.269 -10.673
   79   2HG   PRO  12           HG1      PRO  12  -3.919  -4.658 -10.195
   80   1HD   PRO  12           HD2      PRO  12  -1.682  -5.352 -11.876
   81   2HD   PRO  12           HD1      PRO  12  -2.265  -3.735 -11.534
   82    H    LYS  13           HN       LYS  13  -0.063  -6.890  -7.171
   83    HA   LYS  13           HA       LYS  13   1.220  -8.725  -9.146
   84   1HB   LYS  13           HB2      LYS  13   1.930  -7.743  -6.452
   85   2HB   LYS  13           HB1      LYS  13   2.221  -9.459  -6.721
   86   1HG   LYS  13           HG2      LYS  13   3.533  -8.948  -8.729
   87   2HG   LYS  13           HG1      LYS  13   3.198  -7.227  -8.519
   88   1HD   LYS  13           HD2      LYS  13   4.210  -7.652  -6.112
   89   2HD   LYS  13           HD1      LYS  13   4.987  -9.016  -6.918
   90   1HE   LYS  13           HE2      LYS  13   5.470  -7.101  -8.751
   91   2HE   LYS  13           HE1      LYS  13   5.414  -6.099  -7.301
   92   1HZ   LYS  13           HZ3      LYS  13   7.045  -8.565  -7.531
   93   2HZ   LYS  13           HZ2      LYS  13   7.647  -7.007  -7.844
   94   3HZ   LYS  13           HZ1      LYS  13   7.094  -7.411  -6.289
   95    HA   PRO  14           HA       PRO  14  -1.754 -11.758  -7.893
   96   1HB   PRO  14           HB2      PRO  14  -0.565 -13.902  -9.134
   97   2HB   PRO  14           HB1      PRO  14  -1.498 -12.663  -9.992
   98   1HG   PRO  14           HG2      PRO  14   1.450 -13.070  -9.910
   99   2HG   PRO  14           HG1      PRO  14   0.459 -12.300 -11.158
  100   1HD   PRO  14           HD2      PRO  14   2.034 -10.969  -9.241
  101   2HD   PRO  14           HD1      PRO  14   0.809 -10.226 -10.245
  102    H    ALA  15           HN       ALA  15   0.999 -11.264  -6.401
  103    HA   ALA  15           HA       ALA  15   0.611 -13.427  -4.473
  104   1HB   ALA  15           HB1      ALA  15   2.163 -14.305  -6.357
  105   2HB   ALA  15           HB3      ALA  15   3.361 -13.195  -5.692
  106   3HB   ALA  15           HB2      ALA  15   2.712 -14.493  -4.691
  107    H    CYS  16           HN       CYS  16   0.547 -12.134  -2.680
  108    HA   CYS  16           HA       CYS  16   2.338  -9.788  -2.510
  109   1HB   CYS  16           HB2      CYS  16   0.164 -10.796  -0.647
  110   2HB   CYS  16           HB1      CYS  16   1.071  -9.302  -0.420
  111    H    THR  17           HN       THR  17   4.096  -9.670  -1.147
  112    HA   THR  17           HA       THR  17   5.357 -12.040  -0.218
  113    HB   THR  17           HB       THR  17   6.922 -10.583   0.909
  114    HG1  THR  17           HG1      THR  17   4.696  -8.938   0.984
  115   1HG2  THR  17          HG21      THR  17   6.831 -10.541  -1.615
  116   2HG2  THR  17          HG23      THR  17   5.877  -9.061  -1.490
  117   3HG2  THR  17          HG22      THR  17   7.533  -9.097  -0.885
  118    H    LEU  18           HN       LEU  18   6.058 -11.310   2.498
  119    HA   LEU  18           HA       LEU  18   3.416 -11.628   3.850
  120   1HB   LEU  18           HB2      LEU  18   5.936 -13.232   4.365
  121   2HB   LEU  18           HB1      LEU  18   4.492 -13.289   5.376
  122    HG   LEU  18           HG       LEU  18   4.300 -13.772   2.409
  123   1HD1  LEU  18          HD11      LEU  18   5.843 -15.347   4.160
  124   2HD1  LEU  18          HD13      LEU  18   4.317 -16.210   3.973
  125   3HD1  LEU  18          HD12      LEU  18   5.276 -15.797   2.552
  126   1HD2  LEU  18          HD21      LEU  18   2.602 -14.025   4.819
  127   2HD2  LEU  18          HD23      LEU  18   2.137 -13.751   3.140
  128   3HD2  LEU  18          HD22      LEU  18   2.502 -15.383   3.698
  129    H    GLU  19           HN       GLU  19   6.641 -10.271   3.925
  130    HA   GLU  19           HA       GLU  19   7.060  -9.605   6.578
  131   1HB   GLU  19           HB2      GLU  19   7.758  -7.260   5.587
  132   2HB   GLU  19           HB1      GLU  19   8.671  -8.704   5.148
  133   1HG   GLU  19           HG2      GLU  19   6.322  -8.220   3.443
  134   2HG   GLU  19           HG1      GLU  19   7.549  -6.958   3.344
  135    H    TYR  20           HN       TYR  20   6.406  -7.643   7.852
  136    HA   TYR  20           HA       TYR  20   3.584  -6.967   7.186
  137   1HB   TYR  20           HB2      TYR  20   4.140  -8.094   9.408
  138   2HB   TYR  20           HB1      TYR  20   4.901  -6.571   9.874
  139    HD1  TYR  20           HD2      TYR  20   1.839  -7.200   7.812
  140    HD2  TYR  20           HD1      TYR  20   3.458  -5.581  11.447
  141    HE1  TYR  20           HE2      TYR  20  -0.376  -6.241   8.370
  142    HE2  TYR  20           HE1      TYR  20   1.240  -4.624  12.007
  143    HH   TYR  20           HH       TYR  20  -1.012  -3.979  10.108
  144    H    ARG  21           HN       ARG  21   3.518  -5.105   6.086
  145    HA   ARG  21           HA       ARG  21   4.853  -2.722   7.286
  146   1HB   ARG  21           HB2      ARG  21   4.560  -2.990   4.297
  147   2HB   ARG  21           HB1      ARG  21   5.664  -1.963   5.212
  148   1HG   ARG  21           HG2      ARG  21   6.717  -4.172   6.050
  149   2HG   ARG  21           HG1      ARG  21   5.843  -4.934   4.720
  150   1HD   ARG  21           HD2      ARG  21   7.675  -4.396   3.485
  151   2HD   ARG  21           HD1      ARG  21   6.978  -2.777   3.462
  152    HE   ARG  21           HE       ARG  21   8.945  -3.591   5.563
  153   1HH1  ARG  21          HH11      ARG  21   8.013  -0.937   6.039
  154   2HH1  ARG  21          HH12      ARG  21   9.044   0.076   5.083
  155   1HH2  ARG  21          HH21      ARG  21  10.169  -2.513   3.071
  156   2HH2  ARG  21          HH22      ARG  21  10.263  -0.816   3.405
  157    HA   PRO  22           HA       PRO  22   0.314  -2.328   6.757
  158   1HB   PRO  22           HB2      PRO  22  -0.012  -0.899   9.100
  159   2HB   PRO  22           HB1      PRO  22  -0.081  -2.675   8.984
  160   1HG   PRO  22           HG2      PRO  22   2.143  -0.928   9.980
  161   2HG   PRO  22           HG1      PRO  22   1.682  -2.562  10.493
  162   1HD   PRO  22           HD2      PRO  22   3.830  -2.004   8.812
  163   2HD   PRO  22           HD1      PRO  22   2.994  -3.572   8.880
  164    H    LEU  23           HN       LEU  23   0.122  -0.832   5.093
  165    HA   LEU  23           HA       LEU  23   1.136   1.921   5.631
  166   1HB   LEU  23           HB2      LEU  23  -0.060   0.963   3.038
  167   2HB   LEU  23           HB1      LEU  23   1.106   2.260   3.300
  168    HG   LEU  23           HG       LEU  23   1.897  -0.507   4.108
  169   1HD1  LEU  23          HD12      LEU  23   1.223   0.377   1.381
  170   2HD1  LEU  23          HD11      LEU  23   2.796  -0.399   1.555
  171   3HD1  LEU  23          HD13      LEU  23   1.334  -1.255   2.045
  172   1HD2  LEU  23          HD23      LEU  23   3.283   1.638   4.380
  173   2HD2  LEU  23          HD22      LEU  23   4.080   0.283   3.582
  174   3HD2  LEU  23          HD21      LEU  23   3.447   1.621   2.625
  175    H    CYS  24           HN       CYS  24  -0.324   3.438   6.262
  176    HA   CYS  24           HA       CYS  24  -3.178   2.778   6.281
  177   1HB   CYS  24           HB2      CYS  24  -2.584   4.038   8.166
  178   2HB   CYS  24           HB1      CYS  24  -1.472   5.037   7.259
  179    H    GLY  25           HN       GLY  25  -4.623   3.387   4.730
  180   1HA   GLY  25           HA2      GLY  25  -3.801   4.555   2.235
  181   2HA   GLY  25           HA1      GLY  25  -5.404   4.348   2.766
  182    H    SER  26           HN       SER  26  -5.207   6.742   1.566
  183    HA   SER  26           HA       SER  26  -4.474   8.698   3.687
  184   1HB   SER  26           HB2      SER  26  -3.799   9.337   1.466
  185   2HB   SER  26           HB1      SER  26  -5.411   9.036   0.825
  186    HG   SER  26           HG       SER  26  -6.005  10.934   1.508
  187    H    ASP  27           HN       ASP  27  -6.938   6.744   3.447
  188    HA   ASP  27           HA       ASP  27  -8.998   8.819   4.076
  189   1HB   ASP  27           HB2      ASP  27 -10.660   7.007   3.551
  190   2HB   ASP  27           HB1      ASP  27  -9.685   7.489   2.162
  191    H    ASN  28           HN       ASN  28  -7.433   5.844   5.067
  192    HA   ASN  28           HA       ASN  28  -7.084   5.729   7.595
  193   1HB   ASN  28           HB2      ASN  28  -9.053   7.087   8.168
  194   2HB   ASN  28           HB1      ASN  28 -10.117   5.833   7.523
  195   1HD2  ASN  28          HD22      ASN  28 -10.065   5.056  11.086
  196   2HD2  ASN  28          HD21      ASN  28 -10.810   6.133  10.007
  197    H    LYS  29           HN       LYS  29  -7.005   3.989   5.332
  198    HA   LYS  29           HA       LYS  29  -8.258   1.529   6.496
  199   1HB   LYS  29           HB2      LYS  29  -9.035   2.384   4.162
  200   2HB   LYS  29           HB1      LYS  29  -7.476   1.782   3.597
  201   1HG   LYS  29           HG2      LYS  29  -8.534  -0.213   3.384
  202   2HG   LYS  29           HG1      LYS  29  -8.366  -0.316   5.137
  203   1HD   LYS  29           HD2      LYS  29 -10.597   1.155   5.056
  204   2HD   LYS  29           HD1      LYS  29 -10.771   0.349   3.497
  205   1HE   LYS  29           HE2      LYS  29 -10.316  -1.841   4.732
  206   2HE   LYS  29           HE1      LYS  29 -10.531  -0.930   6.226
  207   1HZ   LYS  29           HZ3      LYS  29 -12.711  -0.176   5.216
  208   2HZ   LYS  29           HZ2      LYS  29 -12.503  -1.418   4.076
  209   3HZ   LYS  29           HZ1      LYS  29 -12.630  -1.790   5.730
  210    H    THR  30           HN       THR  30  -6.595   0.548   7.585
  211    HA   THR  30           HA       THR  30  -3.828   0.738   6.694
  212    HB   THR  30           HB       THR  30  -5.236  -0.845   8.854
  213    HG1  THR  30           HG1      THR  30  -4.791   1.417   9.103
  214   1HG2  THR  30          HG22      THR  30  -2.328  -0.939   8.018
  215   2HG2  THR  30          HG21      THR  30  -2.899  -1.474   9.599
  216   3HG2  THR  30          HG23      THR  30  -3.452  -2.292   8.138
  217    H    TYR  31           HN       TYR  31  -2.742  -0.674   5.393
  218    HA   TYR  31           HA       TYR  31  -4.176  -3.150   4.514
  219   1HB   TYR  31           HB2      TYR  31  -2.302  -1.265   3.108
  220   2HB   TYR  31           HB1      TYR  31  -2.455  -2.929   2.556
  221    HD1  TYR  31           HD1      TYR  31  -4.394   0.165   3.297
  222    HD2  TYR  31           HD2      TYR  31  -4.371  -3.649   1.326
  223    HE1  TYR  31           HE1      TYR  31  -6.526   0.734   2.170
  224    HE2  TYR  31           HE2      TYR  31  -6.500  -3.080   0.197
  225    HH   TYR  31           HH       TYR  31  -7.873  -1.298  -0.349
  226    H    GLY  32           HN       GLY  32  -3.190  -5.079   4.949
  227   1HA   GLY  32           HA2      GLY  32  -1.345  -5.459   6.898
  228   2HA   GLY  32           HA1      GLY  32  -1.465  -6.587   5.562
  229    H    ASN  33           HN       ASN  33  -0.333  -5.343   3.437
  230    HA   ASN  33           HA       ASN  33   2.189  -4.136   4.419
  231   1HB   ASN  33           HB2      ASN  33   3.576  -5.690   3.099
  232   2HB   ASN  33           HB1      ASN  33   2.671  -6.515   4.341
  233   1HD2  ASN  33          HD22      ASN  33   2.171  -8.577   1.361
  234   2HD2  ASN  33          HD21      ASN  33   3.395  -8.240   2.483
  235    H    LYS  34           HN       LYS  34   3.607  -4.202   2.076
  236    HA   LYS  34           HA       LYS  34   2.525  -1.980   0.657
  237   1HB   LYS  34           HB2      LYS  34   4.476  -2.594  -0.904
  238   2HB   LYS  34           HB1      LYS  34   4.869  -2.138   0.741
  239   1HG   LYS  34           HG2      LYS  34   5.421  -4.306   1.347
  240   2HG   LYS  34           HG1      LYS  34   4.355  -5.032   0.140
  241   1HD   LYS  34           HD2      LYS  34   6.544  -3.389  -0.977
  242   2HD   LYS  34           HD1      LYS  34   7.077  -4.836  -0.122
  243   1HE   LYS  34           HE2      LYS  34   4.903  -5.719  -1.621
  244   2HE   LYS  34           HE1      LYS  34   5.737  -4.608  -2.706
  245   1HZ   LYS  34           HZ1      LYS  34   7.279  -6.583  -1.167
  246   2HZ   LYS  34           HZ3      LYS  34   6.477  -7.067  -2.580
  247   3HZ   LYS  34           HZ2      LYS  34   7.656  -5.846  -2.650
  248    H    CYS  35           HN       CYS  35   2.517  -5.463  -0.069
  249    HA   CYS  35           HA       CYS  35   1.647  -5.075  -2.779
  250   1HB   CYS  35           HB2      CYS  35   2.747  -7.155  -2.111
  251   2HB   CYS  35           HB1      CYS  35   1.443  -7.497  -0.973
  252    H    ASN  36           HN       ASN  36  -0.013  -5.490   0.300
  253    HA   ASN  36           HA       ASN  36  -2.635  -5.793  -0.933
  254   1HB   ASN  36           HB2      ASN  36  -1.575  -5.530   1.840
  255   2HB   ASN  36           HB1      ASN  36  -3.263  -5.104   1.569
  256   1HD2  ASN  36          HD22      ASN  36  -2.116  -8.984   1.485
  257   2HD2  ASN  36          HD21      ASN  36  -1.014  -7.727   1.775
  258    H    PHE  37           HN       PHE  37  -0.715  -3.186   0.440
  259    HA   PHE  37           HA       PHE  37  -2.794  -1.173   0.349
  260   1HB   PHE  37           HB2      PHE  37  -0.586  -1.129   1.653
  261   2HB   PHE  37           HB1      PHE  37   0.162  -0.634   0.229
  262    HD1  PHE  37           HD1      PHE  37  -2.752   0.352   2.312
  263    HD2  PHE  37           HD2      PHE  37   0.282   1.414  -0.486
  264    HE1  PHE  37           HE1      PHE  37  -3.495   2.703   2.452
  265    HE2  PHE  37           HE2      PHE  37  -0.432   3.780  -0.394
  266    HZ   PHE  37           HZ       PHE  37  -2.316   4.448   1.093
  267    H    CYS  38           HN       CYS  38  -0.293  -2.280  -1.750
  268    HA   CYS  38           HA       CYS  38  -0.667  -0.111  -3.684
  269   1HB   CYS  38           HB2      CYS  38   1.057  -2.530  -3.482
  270   2HB   CYS  38           HB1      CYS  38   0.665  -2.002  -5.114
  271    H    ASN  39           HN       ASN  39  -1.785  -3.447  -3.301
  272    HA   ASN  39           HA       ASN  39  -2.964  -3.680  -5.909
  273   1HB   ASN  39           HB2      ASN  39  -3.400  -5.042  -3.257
  274   2HB   ASN  39           HB1      ASN  39  -4.545  -5.314  -4.571
  275   1HD2  ASN  39          HD22      ASN  39  -1.591  -7.740  -4.716
  276   2HD2  ASN  39          HD21      ASN  39  -2.566  -7.258  -3.414
  277    H    ALA  40           HN       ALA  40  -4.103  -2.397  -2.807
  278    HA   ALA  40           HA       ALA  40  -6.786  -1.802  -3.747
  279   1HB   ALA  40           HB1      ALA  40  -5.117  -0.778  -1.427
  280   2HB   ALA  40           HB3      ALA  40  -6.768  -0.234  -1.727
  281   3HB   ALA  40           HB2      ALA  40  -6.450  -1.931  -1.370
  282    H    VAL  41           HN       VAL  41  -3.659  -0.288  -3.921
  283    HA   VAL  41           HA       VAL  41  -4.599   2.367  -4.643
  284    HB   VAL  41           HB       VAL  41  -1.959   0.913  -4.919
  285   1HG1  VAL  41          HG11      VAL  41  -2.235   2.472  -6.824
  286   2HG1  VAL  41          HG13      VAL  41  -2.580   3.779  -5.691
  287   3HG1  VAL  41          HG12      VAL  41  -0.986   3.024  -5.707
  288   1HG2  VAL  41          HG23      VAL  41  -2.916   1.839  -2.684
  289   2HG2  VAL  41          HG22      VAL  41  -1.253   2.246  -3.110
  290   3HG2  VAL  41          HG21      VAL  41  -2.542   3.425  -3.358
  291    H    VAL  42           HN       VAL  42  -3.902  -0.629  -6.292
  292    HA   VAL  42           HA       VAL  42  -4.007   0.575  -8.962
  293    HB   VAL  42           HB       VAL  42  -3.491  -1.590  -9.778
  294   1HG1  VAL  42          HG12      VAL  42  -2.044  -0.492  -7.644
  295   2HG1  VAL  42          HG11      VAL  42  -2.141  -2.218  -7.298
  296   3HG1  VAL  42          HG13      VAL  42  -1.460  -1.662  -8.827
  297   1HG2  VAL  42          HG22      VAL  42  -5.253  -2.453  -7.705
  298   2HG2  VAL  42          HG21      VAL  42  -4.580  -3.402  -9.020
  299   3HG2  VAL  42          HG23      VAL  42  -3.718  -3.282  -7.492
  300    H    GLU  43           HN       GLU  43  -6.267  -0.890  -6.742
  301    HA   GLU  43           HA       GLU  43  -8.269  -1.333  -8.847
  302   1HB   GLU  43           HB2      GLU  43  -9.610  -1.998  -6.753
  303   2HB   GLU  43           HB1      GLU  43  -8.295  -3.033  -7.191
  304   1HG   GLU  43           HG2      GLU  43  -7.246  -2.601  -5.283
  305   2HG   GLU  43           HG1      GLU  43  -7.494  -0.864  -5.458
  306    H    SER  44           HN       SER  44  -7.208   1.184  -6.883
  307    HA   SER  44           HA       SER  44  -9.908   2.477  -6.910
  308   1HB   SER  44           HB2      SER  44  -8.854   2.238  -4.680
  309   2HB   SER  44           HB1      SER  44  -7.466   3.161  -5.247
  310    HG   SER  44           HG       SER  44  -9.662   4.102  -4.206
  311    H    ASN  45           HN       ASN  45  -7.487   2.362  -8.957
  312    HA   ASN  45           HA       ASN  45  -6.709   3.834 -10.607
  313   1HB   ASN  45           HB2      ASN  45  -9.088   5.253  -9.500
  314   2HB   ASN  45           HB1      ASN  45  -7.939   6.215 -10.421
  315   1HD2  ASN  45          HD22      ASN  45  -8.829   4.788 -13.525
  316   2HD2  ASN  45          HD21      ASN  45  -7.805   5.861 -12.701
  317    H    GLY  46           HN       GLY  46  -6.040   3.994  -7.494
  318   1HA   GLY  46           HA2      GLY  46  -4.119   4.959  -6.492
  319   2HA   GLY  46           HA1      GLY  46  -3.959   6.040  -7.870
  320    H    THR  47           HN       THR  47  -7.091   5.829  -6.487
  321    HA   THR  47           HA       THR  47  -6.865   8.607  -5.519
  322    HB   THR  47           HB       THR  47  -9.258   8.572  -5.366
  323    HG1  THR  47           HG1      THR  47 -10.200   6.820  -4.754
  324   1HG2  THR  47          HG21      THR  47  -7.885   7.685  -7.719
  325   2HG2  THR  47          HG23      THR  47  -9.457   6.889  -7.651
  326   3HG2  THR  47          HG22      THR  47  -9.357   8.650  -7.608
  327    H    LEU  48           HN       LEU  48  -6.267   5.594  -4.274
  328    HA   LEU  48           HA       LEU  48  -7.382   5.944  -1.605
  329   1HB   LEU  48           HB2      LEU  48  -7.156   3.686  -2.148
  330   2HB   LEU  48           HB1      LEU  48  -5.652   3.947  -3.023
  331    HG   LEU  48           HG       LEU  48  -4.444   4.260  -0.914
  332   1HD1  LEU  48          HD13      LEU  48  -7.228   4.235   0.161
  333   2HD1  LEU  48          HD12      LEU  48  -5.945   3.555   1.163
  334   3HD1  LEU  48          HD11      LEU  48  -5.851   5.234   0.630
  335   1HD2  LEU  48          HD22      LEU  48  -5.487   1.884  -1.867
  336   2HD2  LEU  48          HD21      LEU  48  -4.247   2.021  -0.621
  337   3HD2  LEU  48          HD23      LEU  48  -5.941   1.848  -0.163
  338    H    THR  49           HN       THR  49  -4.041   5.443  -2.573
  339    HA   THR  49           HA       THR  49  -2.047   6.409  -1.876
  340    HB   THR  49           HB       THR  49  -2.014   8.713  -1.730
  341    HG1  THR  49           HG1      THR  49  -4.111   9.730  -0.897
  342   1HG2  THR  49          HG22      THR  49  -3.722   7.706  -3.574
  343   2HG2  THR  49          HG21      THR  49  -4.801   8.805  -2.715
  344   3HG2  THR  49          HG23      THR  49  -3.324   9.420  -3.455
  345    H    LEU  50           HN       LEU  50  -1.110   7.436   0.306
  346    HA   LEU  50           HA       LEU  50  -2.587   6.141   2.517
  347   1HB   LEU  50           HB2      LEU  50  -0.805   4.778   2.640
  348   2HB   LEU  50           HB1      LEU  50   0.021   5.690   1.392
  349    HG   LEU  50           HG       LEU  50   0.142   7.115   3.915
  350   1HD1  LEU  50          HD13      LEU  50   0.707   4.194   3.828
  351   2HD1  LEU  50          HD12      LEU  50   1.759   5.238   4.783
  352   3HD1  LEU  50          HD11      LEU  50   0.032   5.162   5.138
  353   1HD2  LEU  50          HD23      LEU  50   2.170   5.802   2.090
  354   2HD2  LEU  50          HD22      LEU  50   1.674   7.494   2.052
  355   3HD2  LEU  50          HD21      LEU  50   2.582   6.871   3.430
  356    H    SER  51           HN       SER  51  -1.948   7.051   4.681
  357    HA   SER  51           HA       SER  51  -1.712  10.004   4.468
  358   1HB   SER  51           HB2      SER  51  -3.601   8.314   5.812
  359   2HB   SER  51           HB1      SER  51  -2.669   9.124   7.008
  360    HG   SER  51           HG       SER  51  -4.173  10.589   6.556
  361    H    HIS  52           HN       HIS  52  -0.388   7.075   5.702
  362    HA   HIS  52           HA       HIS  52   2.087   8.276   6.466
  363   1HB   HIS  52           HB2      HIS  52   1.964   8.125   8.896
  364   2HB   HIS  52           HB1      HIS  52   0.660   9.169   8.325
  365    HD1  HIS  52           HD1      HIS  52   1.082   6.649  10.705
  366    HD2  HIS  52           HD2      HIS  52  -1.712   7.167   7.652
  367    HE1  HIS  52           HE1      HIS  52  -0.906   5.189  11.293
  368    H    PHE  53           HN       PHE  53   3.612   6.644   6.659
  369    HA   PHE  53           HA       PHE  53   2.860   3.952   6.032
  370   1HB   PHE  53           HB2      PHE  53   5.410   5.196   7.063
  371   2HB   PHE  53           HB1      PHE  53   5.266   3.458   6.791
  372    HD1  PHE  53           HD2      PHE  53   4.900   6.778   5.131
  373    HD2  PHE  53           HD1      PHE  53   5.428   2.547   4.615
  374    HE1  PHE  53           HE2      PHE  53   5.286   7.123   2.708
  375    HE2  PHE  53           HE1      PHE  53   5.815   2.890   2.190
  376    HZ   PHE  53           HZ       PHE  53   5.746   5.180   1.235
  377    H    GLY  54           HN       GLY  54   1.802   2.633   7.417
  378   1HA   GLY  54           HA2      GLY  54   2.558   1.445   9.671
  379   2HA   GLY  54           HA1      GLY  54   2.082   3.006  10.311
  380    H    LYS  55           HN       LYS  55   0.589   1.262  11.349
  381    HA   LYS  55           HA       LYS  55  -1.763   0.639   9.684
  382   1HB   LYS  55           HB2      LYS  55  -2.463  -0.011  12.288
  383   2HB   LYS  55           HB1      LYS  55  -1.797  -1.130  11.104
  384   1HG   LYS  55           HG2      LYS  55   0.495  -0.536  11.893
  385   2HG   LYS  55           HG1      LYS  55  -0.229   0.488  13.135
  386   1HD   LYS  55           HD2      LYS  55  -1.372  -2.209  13.072
  387   2HD   LYS  55           HD1      LYS  55   0.357  -2.204  13.421
  388   1HE   LYS  55           HE2      LYS  55  -1.461  -0.272  14.837
  389   2HE   LYS  55           HE1      LYS  55  -1.339  -1.939  15.398
  390   1HZ   LYS  55           HZ3      LYS  55   1.164  -0.565  14.837
  391   2HZ   LYS  55           HZ2      LYS  55   0.303  -0.030  16.199
  392   3HZ   LYS  55           HZ1      LYS  55   0.780  -1.656  16.077
  393    H    CYS  56           HN       CYS  56  -2.868   2.514   9.268
  394    HA   CYS  56           HA       CYS  56  -3.125   4.822  10.737
  395   1HB   CYS  56           HB2      CYS  56  -4.559   3.602   8.621
  396   2HB   CYS  56           HB1      CYS  56  -5.756   4.125   9.806
   
  No H/Q in entry =         396
  Start of MODEL          36
 Raw file had  401 H/Q atoms
  Start of MODEL   36
    1   1H    LEU   1           HT1      LEU   1  14.227  10.285  -1.187
    2   2H    LEU   1           HT3      LEU   1  15.694  10.210  -0.341
    3   3H    LEU   1           HT2      LEU   1  14.239   9.830   0.449
    4    HA   LEU   1           HA       LEU   1  14.833  11.988   1.162
    5   1HB   LEU   1           HB2      LEU   1  16.093  12.125  -1.314
    6   2HB   LEU   1           HB1      LEU   1  14.773  13.286  -1.460
    7    HG   LEU   1           HG       LEU   1  16.406  13.297   1.052
    8   1HD1  LEU   1          HD12      LEU   1  18.076  13.234  -0.773
    9   2HD1  LEU   1          HD11      LEU   1  17.258  14.582  -1.562
   10   3HD1  LEU   1          HD13      LEU   1  18.036  14.817   0.004
   11   1HD2  LEU   1          HD21      LEU   1  14.574  15.059  -0.458
   12   2HD2  LEU   1          HD23      LEU   1  14.868  14.964   1.279
   13   3HD2  LEU   1          HD22      LEU   1  15.969  15.876   0.246
   14    H    ALA   2           HN       ALA   2  12.686  11.907   1.898
   15    HA   ALA   2           HA       ALA   2  10.486  12.759   1.967
   16   1HB   ALA   2           HB2      ALA   2  11.698  14.384   0.102
   17   2HB   ALA   2           HB1      ALA   2  10.385  13.666  -0.831
   18   3HB   ALA   2           HB3      ALA   2  10.030  14.553   0.651
   19    H    ALA   3           HN       ALA   3   8.605  12.736  -0.196
   20    HA   ALA   3           HA       ALA   3   7.353  11.251  -1.538
   21   1HB   ALA   3           HB2      ALA   3   9.879  10.466  -2.095
   22   2HB   ALA   3           HB1      ALA   3   9.304   9.023  -1.257
   23   3HB   ALA   3           HB3      ALA   3   8.460   9.605  -2.692
   24    H    VAL   4           HN       VAL   4   5.735  10.940   0.011
   25    HA   VAL   4           HA       VAL   4   6.185   8.772   2.009
   26    HB   VAL   4           HB       VAL   4   4.092   9.705   3.068
   27   1HG1  VAL   4          HG12      VAL   4   6.590  11.338   2.668
   28   2HG1  VAL   4          HG11      VAL   4   5.280  11.946   3.680
   29   3HG1  VAL   4          HG13      VAL   4   6.080  10.429   4.090
   30   1HG2  VAL   4          HG22      VAL   4   3.304  10.753   0.889
   31   2HG2  VAL   4          HG21      VAL   4   3.216  11.810   2.299
   32   3HG2  VAL   4          HG23      VAL   4   4.530  11.998   1.136
   33    H    SER   5           HN       SER   5   5.920   7.358  -0.039
   34    HA   SER   5           HA       SER   5   3.237   6.243   0.006
   35   1HB   SER   5           HB2      SER   5   2.754   8.031  -1.549
   36   2HB   SER   5           HB1      SER   5   4.213   7.686  -2.474
   37    HG   SER   5           HG       SER   5   2.567   6.679  -3.532
   38    H    VAL   6           HN       VAL   6   3.176   4.177  -1.072
   39    HA   VAL   6           HA       VAL   6   5.812   2.914  -1.259
   40    HB   VAL   6           HB       VAL   6   2.999   1.859  -1.642
   41   1HG1  VAL   6          HG12      VAL   6   5.667   0.423  -1.703
   42   2HG1  VAL   6          HG11      VAL   6   4.110  -0.391  -1.559
   43   3HG1  VAL   6          HG13      VAL   6   4.492   0.529  -3.014
   44   1HG2  VAL   6          HG22      VAL   6   4.877   2.151   0.619
   45   2HG2  VAL   6          HG21      VAL   6   3.120   1.982   0.631
   46   3HG2  VAL   6          HG23      VAL   6   4.144   0.552   0.480
   47    H    ASP   7           HN       ASP   7   6.290   1.499  -3.200
   48    HA   ASP   7           HA       ASP   7   5.913   3.092  -5.645
   49   1HB   ASP   7           HB2      ASP   7   8.064   1.787  -4.794
   50   2HB   ASP   7           HB1      ASP   7   7.299   0.434  -5.629
   51    H    CYS   8           HN       CYS   8   4.213   2.700  -6.985
   52    HA   CYS   8           HA       CYS   8   2.989  -0.023  -6.895
   53   1HB   CYS   8           HB2      CYS   8   1.823   2.711  -7.226
   54   2HB   CYS   8           HB1      CYS   8   0.999   1.332  -7.949
   55    H    SER   9           HN       SER   9   5.267   0.748  -8.601
   56    HA   SER   9           HA       SER   9   4.076   1.034 -11.286
   57   1HB   SER   9           HB2      SER   9   6.168   2.256 -10.685
   58   2HB   SER   9           HB1      SER   9   6.983   0.705 -10.494
   59    HG   SER   9           HG       SER   9   7.369   1.084 -12.558
   60    H    GLU  10           HN       GLU  10   4.193  -1.477  -9.334
   61    HA   GLU  10           HA       GLU  10   4.733  -3.382 -11.571
   62   1HB   GLU  10           HB2      GLU  10   5.824  -4.920 -10.041
   63   2HB   GLU  10           HB1      GLU  10   6.621  -3.351  -9.923
   64   1HG   GLU  10           HG2      GLU  10   4.356  -3.597  -8.089
   65   2HG   GLU  10           HG1      GLU  10   5.610  -4.799  -7.788
   66    H    TYR  11           HN       TYR  11   2.480  -2.186  -9.504
   67    HA   TYR  11           HA       TYR  11   1.119  -4.740  -8.977
   68   1HB   TYR  11           HB2      TYR  11   0.685  -1.868  -8.118
   69   2HB   TYR  11           HB1      TYR  11  -0.468  -3.137  -7.727
   70    HD1  TYR  11           HD1      TYR  11   0.188  -5.028  -6.233
   71    HD2  TYR  11           HD2      TYR  11   2.885  -1.819  -7.141
   72    HE1  TYR  11           HE1      TYR  11   1.675  -5.744  -4.370
   73    HE2  TYR  11           HE2      TYR  11   4.361  -2.522  -5.279
   74    HH   TYR  11           HH       TYR  11   3.384  -4.985  -2.998
   75    HA   PRO  12           HA       PRO  12  -1.126  -4.671  -8.272
   76   1HB   PRO  12           HB2      PRO  12  -3.132  -6.379  -9.067
   77   2HB   PRO  12           HB1      PRO  12  -3.398  -4.676  -8.660
   78   1HG   PRO  12           HG2      PRO  12  -3.442  -5.976 -11.320
   79   2HG   PRO  12           HG1      PRO  12  -4.125  -4.418 -10.826
   80   1HD   PRO  12           HD2      PRO  12  -1.664  -4.891 -12.215
   81   2HD   PRO  12           HD1      PRO  12  -2.312  -3.337 -11.763
   82    H    LYS  13           HN       LYS  13  -0.332  -6.544  -7.351
   83    HA   LYS  13           HA       LYS  13   0.983  -8.461  -9.208
   84   1HB   LYS  13           HB2      LYS  13   1.709  -7.210  -6.722
   85   2HB   LYS  13           HB1      LYS  13   1.705  -8.959  -6.510
   86   1HG   LYS  13           HG2      LYS  13   2.984  -8.923  -8.825
   87   2HG   LYS  13           HG1      LYS  13   3.374  -7.274  -8.335
   88   1HD   LYS  13           HD2      LYS  13   3.980  -8.427  -6.039
   89   2HD   LYS  13           HD1      LYS  13   4.157  -9.864  -7.047
   90   1HE   LYS  13           HE2      LYS  13   5.445  -7.804  -8.463
   91   2HE   LYS  13           HE1      LYS  13   5.938  -7.593  -6.783
   92   1HZ   LYS  13           HZ3      LYS  13   5.941 -10.337  -7.492
   93   2HZ   LYS  13           HZ2      LYS  13   6.900  -9.451  -8.579
   94   3HZ   LYS  13           HZ1      LYS  13   7.216  -9.381  -6.912
   95    HA   PRO  14           HA       PRO  14  -1.931 -11.561  -7.981
   96   1HB   PRO  14           HB2      PRO  14  -0.562 -13.720  -8.986
   97   2HB   PRO  14           HB1      PRO  14  -1.464 -12.578  -9.998
   98   1HG   PRO  14           HG2      PRO  14   1.483 -12.843  -9.636
   99   2HG   PRO  14           HG1      PRO  14   0.576 -12.209 -11.018
  100   1HD   PRO  14           HD2      PRO  14   1.918 -10.665  -9.082
  101   2HD   PRO  14           HD1      PRO  14   0.737 -10.063 -10.230
  102    H    ALA  15           HN       ALA  15   0.678 -10.850  -6.321
  103    HA   ALA  15           HA       ALA  15   0.244 -12.913  -4.298
  104   1HB   ALA  15           HB3      ALA  15   2.032 -13.710  -6.084
  105   2HB   ALA  15           HB2      ALA  15   3.095 -12.630  -5.182
  106   3HB   ALA  15           HB1      ALA  15   2.310 -13.981  -4.364
  107    H    CYS  16           HN       CYS  16   0.997 -12.205  -2.245
  108    HA   CYS  16           HA       CYS  16   2.092  -9.420  -2.242
  109   1HB   CYS  16           HB2      CYS  16   0.227 -10.774  -0.270
  110   2HB   CYS  16           HB1      CYS  16   0.945  -9.183  -0.026
  111    H    THR  17           HN       THR  17   3.970  -9.092  -1.123
  112    HA   THR  17           HA       THR  17   5.631 -11.219  -0.315
  113    HB   THR  17           HB       THR  17   6.774  -9.370   1.107
  114    HG1  THR  17           HG1      THR  17   5.749  -7.559   1.230
  115   1HG2  THR  17          HG22      THR  17   6.340  -9.359  -1.864
  116   2HG2  THR  17          HG21      THR  17   7.329  -8.103  -1.119
  117   3HG2  THR  17          HG23      THR  17   7.784  -9.799  -0.953
  118    H    LEU  18           HN       LEU  18   6.492 -10.946   2.250
  119    HA   LEU  18           HA       LEU  18   4.021 -11.520   3.832
  120   1HB   LEU  18           HB2      LEU  18   5.479 -12.972   5.247
  121   2HB   LEU  18           HB1      LEU  18   5.399 -13.517   3.572
  122    HG   LEU  18           HG       LEU  18   7.548 -11.572   4.119
  123   1HD1  LEU  18          HD12      LEU  18   7.290 -14.136   5.630
  124   2HD1  LEU  18          HD11      LEU  18   8.882 -13.722   4.995
  125   3HD1  LEU  18          HD13      LEU  18   8.064 -12.625   6.108
  126   1HD2  LEU  18          HD21      LEU  18   7.260 -14.233   2.704
  127   2HD2  LEU  18          HD23      LEU  18   7.456 -12.639   1.976
  128   3HD2  LEU  18          HD22      LEU  18   8.803 -13.389   2.832
  129    H    GLU  19           HN       GLU  19   6.987  -9.684   3.675
  130    HA   GLU  19           HA       GLU  19   7.445  -8.894   6.294
  131   1HB   GLU  19           HB2      GLU  19   7.336  -7.121   3.831
  132   2HB   GLU  19           HB1      GLU  19   8.053  -6.644   5.371
  133   1HG   GLU  19           HG2      GLU  19   9.973  -7.645   4.771
  134   2HG   GLU  19           HG1      GLU  19   9.127  -9.192   4.694
  135    H    TYR  20           HN       TYR  20   6.321  -7.659   7.816
  136    HA   TYR  20           HA       TYR  20   3.543  -6.979   7.063
  137   1HB   TYR  20           HB2      TYR  20   4.034  -8.312   9.139
  138   2HB   TYR  20           HB1      TYR  20   4.806  -6.873   9.811
  139    HD1  TYR  20           HD2      TYR  20   1.767  -7.105   7.642
  140    HD2  TYR  20           HD1      TYR  20   3.340  -6.182  11.532
  141    HE1  TYR  20           HE2      TYR  20  -0.449  -6.228   8.326
  142    HE2  TYR  20           HE1      TYR  20   1.125  -5.305  12.218
  143    HH   TYR  20           HH       TYR  20  -1.240  -5.578  11.567
  144    H    ARG  21           HN       ARG  21   4.181  -5.096   5.789
  145    HA   ARG  21           HA       ARG  21   4.949  -2.751   7.481
  146   1HB   ARG  21           HB2      ARG  21   4.993  -2.680   4.478
  147   2HB   ARG  21           HB1      ARG  21   5.988  -1.786   5.628
  148   1HG   ARG  21           HG2      ARG  21   7.157  -3.880   6.236
  149   2HG   ARG  21           HG1      ARG  21   6.180  -4.759   5.059
  150   1HD   ARG  21           HD2      ARG  21   7.177  -3.653   3.228
  151   2HD   ARG  21           HD1      ARG  21   7.810  -2.358   4.242
  152    HE   ARG  21           HE       ARG  21   8.868  -5.063   4.774
  153   1HH1  ARG  21          HH11      ARG  21   9.152  -2.417   2.648
  154   2HH1  ARG  21          HH12      ARG  21  10.879  -2.324   2.751
  155   1HH2  ARG  21          HH21      ARG  21  11.127  -4.758   5.207
  156   2HH2  ARG  21          HH22      ARG  21  11.997  -3.652   4.198
  157    HA   PRO  22           HA       PRO  22   0.468  -2.429   6.547
  158   1HB   PRO  22           HB2      PRO  22  -0.064  -1.088   8.918
  159   2HB   PRO  22           HB1      PRO  22  -0.107  -2.859   8.723
  160   1HG   PRO  22           HG2      PRO  22   2.009  -1.136   9.963
  161   2HG   PRO  22           HG1      PRO  22   1.527  -2.793  10.373
  162   1HD   PRO  22           HD2      PRO  22   3.801  -2.166   8.910
  163   2HD   PRO  22           HD1      PRO  22   2.961  -3.730   8.823
  164    H    LEU  23           HN       LEU  23  -0.028  -0.801   5.128
  165    HA   LEU  23           HA       LEU  23   1.008   1.931   5.787
  166   1HB   LEU  23           HB2      LEU  23  -0.032   1.054   3.093
  167   2HB   LEU  23           HB1      LEU  23   1.067   2.383   3.467
  168    HG   LEU  23           HG       LEU  23   1.951  -0.366   4.219
  169   1HD1  LEU  23          HD11      LEU  23   1.348   0.523   1.465
  170   2HD1  LEU  23          HD13      LEU  23   2.940  -0.198   1.703
  171   3HD1  LEU  23          HD12      LEU  23   1.488  -1.107   2.122
  172   1HD2  LEU  23          HD21      LEU  23   3.040   2.283   3.821
  173   2HD2  LEU  23          HD23      LEU  23   3.787   0.879   4.582
  174   3HD2  LEU  23          HD22      LEU  23   3.909   1.106   2.836
  175    H    CYS  24           HN       CYS  24  -0.595   3.307   6.534
  176    HA   CYS  24           HA       CYS  24  -3.392   2.450   6.216
  177   1HB   CYS  24           HB2      CYS  24  -2.575   3.658   8.292
  178   2HB   CYS  24           HB1      CYS  24  -2.431   5.095   7.326
  179    H    GLY  25           HN       GLY  25  -4.978   3.624   4.993
  180   1HA   GLY  25           HA2      GLY  25  -3.835   4.862   2.616
  181   2HA   GLY  25           HA1      GLY  25  -5.445   4.439   2.807
  182    H    SER  26           HN       SER  26  -5.206   6.831   1.716
  183    HA   SER  26           HA       SER  26  -4.958   8.888   3.808
  184   1HB   SER  26           HB2      SER  26  -4.383   9.111   1.267
  185   2HB   SER  26           HB1      SER  26  -6.112   9.374   1.063
  186    HG   SER  26           HG       SER  26  -4.570  11.239   1.533
  187    H    ASP  27           HN       ASP  27  -7.255   6.690   3.361
  188    HA   ASP  27           HA       ASP  27  -9.508   8.595   3.826
  189   1HB   ASP  27           HB2      ASP  27 -10.944   6.576   3.289
  190   2HB   ASP  27           HB1      ASP  27  -9.966   7.160   1.942
  191    H    ASN  28           HN       ASN  28  -7.806   5.765   5.010
  192    HA   ASN  28           HA       ASN  28  -7.570   5.707   7.550
  193   1HB   ASN  28           HB2      ASN  28  -9.598   5.485   8.861
  194   2HB   ASN  28           HB1      ASN  28  -9.698   6.990   7.958
  195   1HD2  ASN  28          HD22      ASN  28 -12.814   4.736   7.593
  196   2HD2  ASN  28          HD21      ASN  28 -11.880   5.073   8.970
  197    H    LYS  29           HN       LYS  29  -7.165   3.915   5.475
  198    HA   LYS  29           HA       LYS  29  -8.504   1.458   6.541
  199   1HB   LYS  29           HB2      LYS  29  -8.767   2.496   3.972
  200   2HB   LYS  29           HB1      LYS  29  -7.552   1.231   3.789
  201   1HG   LYS  29           HG2      LYS  29 -10.272   0.895   5.085
  202   2HG   LYS  29           HG1      LYS  29  -9.812   0.305   3.487
  203   1HD   LYS  29           HD2      LYS  29  -9.043  -1.578   4.445
  204   2HD   LYS  29           HD1      LYS  29  -7.826  -0.616   5.284
  205   1HE   LYS  29           HE2      LYS  29  -9.143  -0.397   7.215
  206   2HE   LYS  29           HE1      LYS  29 -10.636  -0.774   6.353
  207   1HZ   LYS  29           HZ3      LYS  29  -9.480  -3.030   5.946
  208   2HZ   LYS  29           HZ2      LYS  29  -8.511  -2.592   7.270
  209   3HZ   LYS  29           HZ1      LYS  29 -10.194  -2.728   7.453
  210    H    THR  30           HN       THR  30  -7.024   0.134   7.481
  211    HA   THR  30           HA       THR  30  -4.163   0.526   6.931
  212    HB   THR  30           HB       THR  30  -5.595  -1.436   8.748
  213    HG1  THR  30           HG1      THR  30  -5.305   0.035  10.261
  214   1HG2  THR  30          HG21      THR  30  -2.651  -0.755   8.462
  215   2HG2  THR  30          HG23      THR  30  -3.334  -1.766   9.736
  216   3HG2  THR  30          HG22      THR  30  -3.408  -2.295   8.056
  217    H    TYR  31           HN       TYR  31  -3.018  -0.672   5.502
  218    HA   TYR  31           HA       TYR  31  -4.294  -3.151   4.428
  219   1HB   TYR  31           HB2      TYR  31  -2.450  -1.100   3.213
  220   2HB   TYR  31           HB1      TYR  31  -2.558  -2.725   2.531
  221    HD1  TYR  31           HD1      TYR  31  -4.397   0.407   3.203
  222    HD2  TYR  31           HD2      TYR  31  -4.613  -3.518   1.473
  223    HE1  TYR  31           HE1      TYR  31  -6.514   1.023   2.067
  224    HE2  TYR  31           HE2      TYR  31  -6.728  -2.903   0.337
  225    HH   TYR  31           HH       TYR  31  -8.598  -0.395   1.172
  226    H    GLY  32           HN       GLY  32  -3.308  -5.031   4.932
  227   1HA   GLY  32           HA2      GLY  32  -1.479  -5.456   6.860
  228   2HA   GLY  32           HA1      GLY  32  -1.541  -6.528   5.477
  229    H    ASN  33           HN       ASN  33  -0.396  -5.243   3.435
  230    HA   ASN  33           HA       ASN  33   2.030  -3.895   4.444
  231   1HB   ASN  33           HB2      ASN  33   3.529  -5.428   3.177
  232   2HB   ASN  33           HB1      ASN  33   2.697  -6.214   4.493
  233   1HD2  ASN  33          HD22      ASN  33   2.278  -8.508   1.663
  234   2HD2  ASN  33          HD21      ASN  33   3.510  -8.010   2.716
  235    H    LYS  34           HN       LYS  34   3.523  -3.944   2.144
  236    HA   LYS  34           HA       LYS  34   2.433  -1.842   0.633
  237   1HB   LYS  34           HB2      LYS  34   4.371  -2.128  -0.721
  238   2HB   LYS  34           HB1      LYS  34   4.851  -2.570   0.905
  239   1HG   LYS  34           HG2      LYS  34   4.359  -4.973   0.312
  240   2HG   LYS  34           HG1      LYS  34   4.127  -4.448  -1.358
  241   1HD   LYS  34           HD2      LYS  34   6.514  -3.284  -0.855
  242   2HD   LYS  34           HD1      LYS  34   6.634  -4.680   0.218
  243   1HE   LYS  34           HE2      LYS  34   6.196  -6.202  -1.617
  244   2HE   LYS  34           HE1      LYS  34   5.868  -4.857  -2.711
  245   1HZ   LYS  34           HZ2      LYS  34   8.461  -5.375  -1.353
  246   2HZ   LYS  34           HZ1      LYS  34   8.118  -5.731  -2.979
  247   3HZ   LYS  34           HZ3      LYS  34   8.140  -4.120  -2.453
  248    H    CYS  35           HN       CYS  35   2.370  -5.364  -0.015
  249    HA   CYS  35           HA       CYS  35   1.365  -5.049  -2.691
  250   1HB   CYS  35           HB2      CYS  35   2.425  -7.132  -2.091
  251   2HB   CYS  35           HB1      CYS  35   1.277  -7.393  -0.777
  252    H    ASN  36           HN       ASN  36  -0.186  -5.312   0.470
  253    HA   ASN  36           HA       ASN  36  -2.854  -5.580  -0.702
  254   1HB   ASN  36           HB2      ASN  36  -1.757  -5.263   2.076
  255   2HB   ASN  36           HB1      ASN  36  -3.469  -4.965   1.784
  256   1HD2  ASN  36          HD22      ASN  36  -2.020  -8.772   1.608
  257   2HD2  ASN  36          HD21      ASN  36  -0.967  -7.453   1.764
  258    H    PHE  37           HN       PHE  37  -0.783  -3.002   0.442
  259    HA   PHE  37           HA       PHE  37  -2.858  -0.971   0.507
  260   1HB   PHE  37           HB2      PHE  37  -0.648  -0.862   1.703
  261   2HB   PHE  37           HB1      PHE  37   0.116  -0.492   0.265
  262    HD1  PHE  37           HD1      PHE  37  -2.845   0.680   2.171
  263    HD2  PHE  37           HD2      PHE  37   0.357   1.556  -0.500
  264    HE1  PHE  37           HE1      PHE  37  -3.566   3.057   2.115
  265    HE2  PHE  37           HE2      PHE  37  -0.326   3.935  -0.580
  266    HZ   PHE  37           HZ       PHE  37  -2.295   4.700   0.727
  267    H    CYS  38           HN       CYS  38  -0.455  -2.052  -1.714
  268    HA   CYS  38           HA       CYS  38  -1.062   0.074  -3.630
  269   1HB   CYS  38           HB2      CYS  38   1.213  -0.945  -3.555
  270   2HB   CYS  38           HB1      CYS  38   0.532  -2.455  -4.166
  271    H    ASN  39           HN       ASN  39  -1.585  -3.488  -3.622
  272    HA   ASN  39           HA       ASN  39  -3.008  -3.830  -5.967
  273   1HB   ASN  39           HB2      ASN  39  -3.552  -4.925  -3.198
  274   2HB   ASN  39           HB1      ASN  39  -4.540  -5.397  -4.582
  275   1HD2  ASN  39          HD22      ASN  39  -1.819  -7.890  -4.447
  276   2HD2  ASN  39          HD21      ASN  39  -3.186  -7.487  -3.525
  277    H    ALA  40           HN       ALA  40  -3.984  -2.037  -3.129
  278    HA   ALA  40           HA       ALA  40  -6.739  -1.663  -4.001
  279   1HB   ALA  40           HB1      ALA  40  -5.034  -0.245  -1.925
  280   2HB   ALA  40           HB3      ALA  40  -6.748   0.081  -2.182
  281   3HB   ALA  40           HB2      ALA  40  -6.226  -1.508  -1.620
  282    H    VAL  41           HN       VAL  41  -3.809   0.381  -3.847
  283    HA   VAL  41           HA       VAL  41  -4.806   2.699  -5.095
  284    HB   VAL  41           HB       VAL  41  -2.073   1.441  -5.514
  285   1HG1  VAL  41          HG12      VAL  41  -2.856   3.399  -7.009
  286   2HG1  VAL  41          HG11      VAL  41  -2.769   4.378  -5.545
  287   3HG1  VAL  41          HG13      VAL  41  -1.320   3.588  -6.163
  288   1HG2  VAL  41          HG22      VAL  41  -2.869   1.798  -3.102
  289   2HG2  VAL  41          HG21      VAL  41  -1.358   2.588  -3.550
  290   3HG2  VAL  41          HG23      VAL  41  -2.850   3.524  -3.463
  291    H    VAL  42           HN       VAL  42  -3.297  -0.128  -6.647
  292    HA   VAL  42           HA       VAL  42  -3.678   0.686  -9.335
  293    HB   VAL  42           HB       VAL  42  -3.378  -1.748  -9.841
  294   1HG1  VAL  42          HG13      VAL  42  -1.488  -0.109  -9.146
  295   2HG1  VAL  42          HG12      VAL  42  -1.491  -0.992  -7.620
  296   3HG1  VAL  42          HG11      VAL  42  -1.137  -1.837  -9.127
  297   1HG2  VAL  42          HG22      VAL  42  -3.840  -1.911  -6.879
  298   2HG2  VAL  42          HG21      VAL  42  -4.501  -2.926  -8.163
  299   3HG2  VAL  42          HG23      VAL  42  -2.816  -3.106  -7.673
  300    H    GLU  43           HN       GLU  43  -5.755  -1.195  -7.128
  301    HA   GLU  43           HA       GLU  43  -7.823  -1.384  -9.242
  302   1HB   GLU  43           HB2      GLU  43  -7.143  -3.186  -7.356
  303   2HB   GLU  43           HB1      GLU  43  -8.378  -2.317  -6.474
  304   1HG   GLU  43           HG2      GLU  43 -10.015  -2.731  -8.189
  305   2HG   GLU  43           HG1      GLU  43  -8.787  -3.396  -9.266
  306    H    SER  44           HN       SER  44  -6.904   1.112  -7.644
  307    HA   SER  44           HA       SER  44  -9.680   1.989  -6.966
  308   1HB   SER  44           HB2      SER  44  -8.856   3.205  -5.036
  309   2HB   SER  44           HB1      SER  44  -8.307   1.537  -4.905
  310    HG   SER  44           HG       SER  44  -6.852   3.738  -4.938
  311    H    ASN  45           HN       ASN  45  -7.128   2.426  -8.987
  312    HA   ASN  45           HA       ASN  45  -6.677   4.150 -10.524
  313   1HB   ASN  45           HB2      ASN  45  -9.323   4.590  -9.810
  314   2HB   ASN  45           HB1      ASN  45  -8.545   6.123  -9.427
  315   1HD2  ASN  45          HD22      ASN  45  -9.434   5.485 -13.210
  316   2HD2  ASN  45          HD21      ASN  45 -10.222   4.801 -11.870
  317    H    GLY  46           HN       GLY  46  -6.023   4.090  -7.392
  318   1HA   GLY  46           HA2      GLY  46  -4.280   5.223  -6.257
  319   2HA   GLY  46           HA1      GLY  46  -4.250   6.427  -7.540
  320    H    THR  47           HN       THR  47  -7.384   5.764  -6.336
  321    HA   THR  47           HA       THR  47  -7.528   8.445  -5.151
  322    HB   THR  47           HB       THR  47  -9.411   7.479  -6.484
  323    HG1  THR  47           HG1      THR  47 -10.352   7.728  -3.862
  324   1HG2  THR  47          HG21      THR  47  -8.908   5.229  -4.873
  325   2HG2  THR  47          HG23      THR  47 -10.491   5.824  -4.371
  326   3HG2  THR  47          HG22      THR  47 -10.198   5.416  -6.062
  327    H    LEU  48           HN       LEU  48  -6.274   5.670  -4.038
  328    HA   LEU  48           HA       LEU  48  -7.458   5.696  -1.347
  329   1HB   LEU  48           HB2      LEU  48  -6.951   3.500  -1.715
  330   2HB   LEU  48           HB1      LEU  48  -5.800   3.896  -2.981
  331    HG   LEU  48           HG       LEU  48  -4.099   4.442  -1.288
  332   1HD1  LEU  48          HD11      LEU  48  -6.034   5.025   0.411
  333   2HD1  LEU  48          HD13      LEU  48  -5.867   3.328   0.853
  334   3HD1  LEU  48          HD12      LEU  48  -4.490   4.412   0.993
  335   1HD2  LEU  48          HD23      LEU  48  -4.780   1.995  -2.083
  336   2HD2  LEU  48          HD22      LEU  48  -3.532   2.245  -0.864
  337   3HD2  LEU  48          HD21      LEU  48  -5.168   1.808  -0.373
  338    H    THR  49           HN       THR  49  -4.225   5.995  -2.681
  339    HA   THR  49           HA       THR  49  -2.330   7.130  -2.032
  340    HB   THR  49           HB       THR  49  -3.125   9.272  -0.568
  341    HG1  THR  49           HG1      THR  49  -5.134   9.896  -1.291
  342   1HG2  THR  49          HG21      THR  49  -1.900   9.168  -2.773
  343   2HG2  THR  49          HG23      THR  49  -3.476   9.083  -3.559
  344   3HG2  THR  49          HG22      THR  49  -3.034  10.511  -2.625
  345    H    LEU  50           HN       LEU  50  -0.982   7.534  -0.103
  346    HA   LEU  50           HA       LEU  50  -1.973   5.904   2.141
  347   1HB   LEU  50           HB2      LEU  50   0.034   5.015   1.408
  348   2HB   LEU  50           HB1      LEU  50   0.701   6.590   0.978
  349    HG   LEU  50           HG       LEU  50   0.627   7.030   3.561
  350   1HD1  LEU  50          HD13      LEU  50  -0.230   4.275   3.295
  351   2HD1  LEU  50          HD12      LEU  50   1.230   4.394   4.276
  352   3HD1  LEU  50          HD11      LEU  50  -0.213   5.299   4.727
  353   1HD2  LEU  50          HD23      LEU  50   2.640   6.720   2.063
  354   2HD2  LEU  50          HD22      LEU  50   2.877   6.194   3.730
  355   3HD2  LEU  50          HD21      LEU  50   2.585   5.003   2.462
  356    H    SER  51           HN       SER  51  -1.494   6.652   4.331
  357    HA   SER  51           HA       SER  51  -1.753   9.566   4.615
  358   1HB   SER  51           HB2      SER  51  -2.759   8.941   6.678
  359   2HB   SER  51           HB1      SER  51  -3.488   7.925   5.534
  360    HG   SER  51           HG       SER  51  -2.694   6.988   7.544
  361    H    HIS  52           HN       HIS  52  -0.249   6.698   5.884
  362    HA   HIS  52           HA       HIS  52   2.320   7.971   6.418
  363   1HB   HIS  52           HB2      HIS  52   2.292   7.581   8.848
  364   2HB   HIS  52           HB1      HIS  52   0.968   8.667   8.409
  365    HD1  HIS  52           HD1      HIS  52   0.794   6.833  10.955
  366    HD2  HIS  52           HD2      HIS  52  -0.793   5.868   7.221
  367    HE1  HIS  52           HE1      HIS  52  -1.029   5.111  11.344
  368    H    PHE  53           HN       PHE  53   3.914   6.317   7.067
  369    HA   PHE  53           HA       PHE  53   3.184   3.672   6.047
  370   1HB   PHE  53           HB2      PHE  53   5.776   4.758   7.171
  371   2HB   PHE  53           HB1      PHE  53   5.565   3.127   6.532
  372    HD1  PHE  53           HD2      PHE  53   5.313   6.735   5.652
  373    HD2  PHE  53           HD1      PHE  53   5.575   2.705   4.190
  374    HE1  PHE  53           HE2      PHE  53   5.624   7.592   3.347
  375    HE2  PHE  53           HE1      PHE  53   5.885   3.562   1.883
  376    HZ   PHE  53           HZ       PHE  53   5.912   6.006   1.461
  377    H    GLY  54           HN       GLY  54   2.028   2.465   7.390
  378   1HA   GLY  54           HA2      GLY  54   2.721   0.976   9.468
  379   2HA   GLY  54           HA1      GLY  54   2.487   2.502  10.283
  380    H    LYS  55           HN       LYS  55   0.753   0.879  11.229
  381    HA   LYS  55           HA       LYS  55  -1.639   0.569   9.688
  382   1HB   LYS  55           HB2      LYS  55  -1.187  -1.084  11.349
  383   2HB   LYS  55           HB1      LYS  55  -0.771   0.148  12.532
  384   1HG   LYS  55           HG2      LYS  55  -2.852   0.579  13.082
  385   2HG   LYS  55           HG1      LYS  55  -3.423   0.436  11.429
  386   1HD   LYS  55           HD2      LYS  55  -4.380  -1.514  12.137
  387   2HD   LYS  55           HD1      LYS  55  -2.744  -2.160  12.001
  388   1HE   LYS  55           HE2      LYS  55  -2.990  -2.673  14.201
  389   2HE   LYS  55           HE1      LYS  55  -2.652  -0.963  14.465
  390   1HZ   LYS  55           HZ3      LYS  55  -5.372  -1.328  13.792
  391   2HZ   LYS  55           HZ2      LYS  55  -4.968  -2.334  15.101
  392   3HZ   LYS  55           HZ1      LYS  55  -4.703  -0.659  15.199
  393    H    CYS  56           HN       CYS  56  -3.543   1.813  10.029
  394    HA   CYS  56           HA       CYS  56  -3.336   4.576  10.410
  395   1HB   CYS  56           HB2      CYS  56  -5.806   2.998  11.166
  396   2HB   CYS  56           HB1      CYS  56  -5.723   4.635  10.515
   
  No H/Q in entry =         396
  Start of MODEL          37
 Raw file had  401 H/Q atoms
  Start of MODEL   37
    1   1H    LEU   1           HT2      LEU   1  10.414  10.718   5.775
    2   2H    LEU   1           HT1      LEU   1  11.452  10.541   7.108
    3   3H    LEU   1           HT3      LEU   1  12.088  10.931   5.585
    4    HA   LEU   1           HA       LEU   1  12.509   8.627   5.999
    5   1HB   LEU   1           HB2      LEU   1  10.319   8.670   7.546
    6   2HB   LEU   1           HB1      LEU   1   9.592   8.008   6.082
    7    HG   LEU   1           HG       LEU   1  12.180   6.868   7.091
    8   1HD1  LEU   1          HD11      LEU   1  10.143   7.031   8.841
    9   2HD1  LEU   1          HD13      LEU   1   9.628   5.596   7.955
   10   3HD1  LEU   1          HD12      LEU   1  11.199   5.622   8.755
   11   1HD2  LEU   1          HD23      LEU   1  11.285   6.213   4.878
   12   2HD2  LEU   1          HD22      LEU   1  11.274   4.850   5.996
   13   3HD2  LEU   1          HD21      LEU   1   9.776   5.710   5.641
   14    H    ALA   2           HN       ALA   2  13.128   8.400   3.888
   15    HA   ALA   2           HA       ALA   2  12.953   8.259   1.542
   16   1HB   ALA   2           HB3      ALA   2  10.838   6.525   2.733
   17   2HB   ALA   2           HB2      ALA   2  10.773   6.800   0.992
   18   3HB   ALA   2           HB1      ALA   2  12.212   6.085   1.719
   19    H    ALA   3           HN       ALA   3   9.463   8.079   1.786
   20    HA   ALA   3           HA       ALA   3   9.098  10.935   1.212
   21   1HB   ALA   3           HB1      ALA   3   9.764   9.831  -0.989
   22   2HB   ALA   3           HB3      ALA   3   8.254   8.926  -0.890
   23   3HB   ALA   3           HB2      ALA   3   8.222  10.686  -1.005
   24    H    VAL   4           HN       VAL   4   6.605  11.198   0.555
   25    HA   VAL   4           HA       VAL   4   5.106   9.558   2.540
   26    HB   VAL   4           HB       VAL   4   3.985  12.001   1.196
   27   1HG1  VAL   4          HG12      VAL   4   2.931  10.298   2.995
   28   2HG1  VAL   4          HG11      VAL   4   3.750  11.397   4.104
   29   3HG1  VAL   4          HG13      VAL   4   2.538  12.017   2.983
   30   1HG2  VAL   4          HG23      VAL   4   6.373  11.879   2.895
   31   2HG2  VAL   4          HG22      VAL   4   5.745  13.221   1.940
   32   3HG2  VAL   4          HG21      VAL   4   5.114  12.920   3.559
   33    H    SER   5           HN       SER   5   5.166   7.809   0.804
   34    HA   SER   5           HA       SER   5   2.691   7.333  -0.340
   35   1HB   SER   5           HB2      SER   5   4.163   9.336  -1.851
   36   2HB   SER   5           HB1      SER   5   3.820   7.920  -2.841
   37    HG   SER   5           HG       SER   5   2.119   9.799  -1.746
   38    H    VAL   6           HN       VAL   6   2.688   5.295  -1.333
   39    HA   VAL   6           HA       VAL   6   5.318   3.926  -1.365
   40    HB   VAL   6           HB       VAL   6   2.624   2.643  -1.834
   41   1HG1  VAL   6          HG11      VAL   6   4.887   1.462  -2.212
   42   2HG1  VAL   6          HG13      VAL   6   5.067   1.522  -0.459
   43   3HG1  VAL   6          HG12      VAL   6   3.717   0.644  -1.177
   44   1HG2  VAL   6          HG22      VAL   6   3.747   3.826   0.631
   45   2HG2  VAL   6          HG21      VAL   6   2.077   3.418   0.241
   46   3HG2  VAL   6          HG23      VAL   6   3.183   2.164   0.802
   47    H    ASP   7           HN       ASP   7   5.975   2.674  -3.218
   48    HA   ASP   7           HA       ASP   7   5.006   3.840  -5.769
   49   1HB   ASP   7           HB2      ASP   7   7.502   3.611  -5.092
   50   2HB   ASP   7           HB1      ASP   7   7.300   1.901  -5.477
   51    H    CYS   8           HN       CYS   8   3.360   2.738  -6.720
   52    HA   CYS   8           HA       CYS   8   3.433  -0.246  -6.572
   53   1HB   CYS   8           HB2      CYS   8   0.901   1.370  -6.898
   54   2HB   CYS   8           HB1      CYS   8   1.065  -0.320  -6.424
   55    H    SER   9           HN       SER   9   4.771   1.136  -8.591
   56    HA   SER   9           HA       SER   9   3.031   1.338 -10.939
   57   1HB   SER   9           HB2      SER   9   5.709   2.134 -10.239
   58   2HB   SER   9           HB1      SER   9   5.745   1.217 -11.742
   59    HG   SER   9           HG       SER   9   3.889   2.633 -12.334
   60    H    GLU  10           HN       GLU  10   3.793  -1.271  -9.322
   61    HA   GLU  10           HA       GLU  10   4.104  -2.927 -11.780
   62   1HB   GLU  10           HB2      GLU  10   5.436  -3.558  -9.130
   63   2HB   GLU  10           HB1      GLU  10   5.666  -4.389 -10.670
   64   1HG   GLU  10           HG2      GLU  10   7.540  -2.977 -10.566
   65   2HG   GLU  10           HG1      GLU  10   6.408  -2.047 -11.549
   66    H    TYR  11           HN       TYR  11   1.870  -2.083  -9.881
   67    HA   TYR  11           HA       TYR  11   1.037  -4.757  -8.901
   68   1HB   TYR  11           HB2      TYR  11   0.401  -1.921  -8.129
   69   2HB   TYR  11           HB1      TYR  11  -0.747  -3.195  -7.732
   70    HD1  TYR  11           HD1      TYR  11  -0.123  -5.017  -6.174
   71    HD2  TYR  11           HD2      TYR  11   2.617  -1.852  -7.144
   72    HE1  TYR  11           HE1      TYR  11   1.342  -5.699  -4.280
   73    HE2  TYR  11           HE2      TYR  11   4.071  -2.531  -5.255
   74    HH   TYR  11           HH       TYR  11   4.177  -5.251  -3.915
   75    HA   PRO  12           HA       PRO  12  -1.007  -4.964  -7.935
   76   1HB   PRO  12           HB2      PRO  12  -3.021  -6.814  -8.296
   77   2HB   PRO  12           HB1      PRO  12  -3.313  -5.119  -7.907
   78   1HG   PRO  12           HG2      PRO  12  -3.816  -6.532 -10.437
   79   2HG   PRO  12           HG1      PRO  12  -4.384  -4.933  -9.933
   80   1HD   PRO  12           HD2      PRO  12  -2.165  -5.585 -11.660
   81   2HD   PRO  12           HD1      PRO  12  -2.800  -3.994 -11.356
   82    H    LYS  13           HN       LYS  13  -0.547  -7.126  -7.011
   83    HA   LYS  13           HA       LYS  13   0.751  -8.930  -9.011
   84   1HB   LYS  13           HB2      LYS  13   1.595  -9.291  -6.229
   85   2HB   LYS  13           HB1      LYS  13   2.574  -9.072  -7.677
   86   1HG   LYS  13           HG2      LYS  13   1.697  -6.572  -7.475
   87   2HG   LYS  13           HG1      LYS  13   1.507  -7.025  -5.780
   88   1HD   LYS  13           HD2      LYS  13   4.042  -7.104  -7.433
   89   2HD   LYS  13           HD1      LYS  13   3.723  -6.126  -5.999
   90   1HE   LYS  13           HE2      LYS  13   3.667  -8.083  -4.588
   91   2HE   LYS  13           HE1      LYS  13   3.731  -9.157  -5.986
   92   1HZ   LYS  13           HZ2      LYS  13   5.895  -7.623  -6.369
   93   2HZ   LYS  13           HZ1      LYS  13   5.857  -7.705  -4.672
   94   3HZ   LYS  13           HZ3      LYS  13   5.920  -9.132  -5.588
   95    HA   PRO  14           HA       PRO  14  -2.104 -11.988  -7.612
   96   1HB   PRO  14           HB2      PRO  14  -0.828 -14.174  -8.679
   97   2HB   PRO  14           HB1      PRO  14  -1.765 -13.017  -9.641
   98   1HG   PRO  14           HG2      PRO  14   1.194 -13.327  -9.437
   99   2HG   PRO  14           HG1      PRO  14   0.223 -12.691 -10.773
  100   1HD   PRO  14           HD2      PRO  14   1.686 -11.147  -8.931
  101   2HD   PRO  14           HD1      PRO  14   0.442 -10.543 -10.011
  102    H    ALA  15           HN       ALA  15   0.595 -11.337  -6.079
  103    HA   ALA  15           HA       ALA  15   0.190 -13.327  -3.997
  104   1HB   ALA  15           HB3      ALA  15   2.449 -13.567  -5.928
  105   2HB   ALA  15           HB2      ALA  15   2.832 -13.811  -4.223
  106   3HB   ALA  15           HB1      ALA  15   1.619 -14.823  -5.008
  107    H    CYS  16           HN       CYS  16   0.146 -11.836  -2.366
  108    HA   CYS  16           HA       CYS  16   1.867  -9.477  -2.428
  109   1HB   CYS  16           HB2      CYS  16  -0.078 -10.569  -0.381
  110   2HB   CYS  16           HB1      CYS  16   0.853  -9.093  -0.126
  111    H    THR  17           HN       THR  17   3.825  -9.256  -1.440
  112    HA   THR  17           HA       THR  17   5.331 -11.452  -0.534
  113    HB   THR  17           HB       THR  17   6.690  -9.657   0.720
  114    HG1  THR  17           HG1      THR  17   6.071  -7.553   0.314
  115   1HG2  THR  17          HG21      THR  17   6.153  -9.933  -2.167
  116   2HG2  THR  17          HG23      THR  17   6.941  -8.424  -1.707
  117   3HG2  THR  17          HG22      THR  17   7.687  -9.969  -1.298
  118    H    LEU  18           HN       LEU  18   6.237 -11.321   1.951
  119    HA   LEU  18           HA       LEU  18   3.755 -11.469   3.602
  120   1HB   LEU  18           HB2      LEU  18   6.386 -12.954   3.775
  121   2HB   LEU  18           HB1      LEU  18   5.225 -12.944   5.103
  122    HG   LEU  18           HG       LEU  18   3.870 -13.498   2.611
  123   1HD1  LEU  18          HD12      LEU  18   6.171 -14.362   2.016
  124   2HD1  LEU  18          HD11      LEU  18   6.032 -15.481   3.371
  125   3HD1  LEU  18          HD13      LEU  18   4.910 -15.594   2.016
  126   1HD2  LEU  18          HD22      LEU  18   3.974 -14.369   5.369
  127   2HD2  LEU  18          HD21      LEU  18   2.658 -14.534   4.205
  128   3HD2  LEU  18          HD23      LEU  18   3.916 -15.766   4.295
  129    H    GLU  19           HN       GLU  19   6.730  -9.791   3.210
  130    HA   GLU  19           HA       GLU  19   7.482  -9.010   5.771
  131   1HB   GLU  19           HB2      GLU  19   7.197  -7.293   3.286
  132   2HB   GLU  19           HB1      GLU  19   8.014  -6.758   4.755
  133   1HG   GLU  19           HG2      GLU  19   9.889  -7.828   4.127
  134   2HG   GLU  19           HG1      GLU  19   9.007  -9.355   4.055
  135    H    TYR  20           HN       TYR  20   6.488  -7.856   7.417
  136    HA   TYR  20           HA       TYR  20   3.692  -7.061   6.928
  137   1HB   TYR  20           HB2      TYR  20   4.409  -8.373   8.977
  138   2HB   TYR  20           HB1      TYR  20   5.202  -6.902   9.544
  139    HD1  TYR  20           HD2      TYR  20   1.990  -7.260   7.656
  140    HD2  TYR  20           HD1      TYR  20   3.879  -6.187  11.364
  141    HE1  TYR  20           HE2      TYR  20  -0.173  -6.402   8.507
  142    HE2  TYR  20           HE1      TYR  20   1.713  -5.332  12.218
  143    HH   TYR  20           HH       TYR  20  -1.183  -5.275  10.152
  144    H    ARG  21           HN       ARG  21   3.773  -5.154   5.784
  145    HA   ARG  21           HA       ARG  21   4.941  -2.813   7.237
  146   1HB   ARG  21           HB2      ARG  21   4.628  -2.838   4.243
  147   2HB   ARG  21           HB1      ARG  21   5.730  -1.880   5.235
  148   1HG   ARG  21           HG2      ARG  21   6.758  -4.197   5.880
  149   2HG   ARG  21           HG1      ARG  21   5.952  -4.767   4.418
  150   1HD   ARG  21           HD2      ARG  21   7.882  -4.086   3.404
  151   2HD   ARG  21           HD1      ARG  21   7.115  -2.499   3.475
  152    HE   ARG  21           HE       ARG  21   9.381  -3.385   5.105
  153   1HH1  ARG  21          HH21      ARG  21   8.284  -2.412   7.366
  154   2HH1  ARG  21          HH22      ARG  21   8.250  -0.684   7.251
  155   1HH2  ARG  21          HH11      ARG  21   8.664  -0.641   3.808
  156   2HH2  ARG  21          HH12      ARG  21   8.465   0.319   5.236
  157    HA   PRO  22           HA       PRO  22   0.410  -2.415   6.827
  158   1HB   PRO  22           HB2      PRO  22   0.134  -1.060   9.223
  159   2HB   PRO  22           HB1      PRO  22   0.100  -2.835   9.058
  160   1HG   PRO  22           HG2      PRO  22   2.310  -1.073  10.047
  161   2HG   PRO  22           HG1      PRO  22   1.911  -2.739  10.504
  162   1HD   PRO  22           HD2      PRO  22   3.985  -2.027   8.771
  163   2HD   PRO  22           HD1      PRO  22   3.232  -3.636   8.840
  164    H    LEU  23           HN       LEU  23   0.313  -0.856   5.144
  165    HA   LEU  23           HA       LEU  23   1.141   1.905   5.896
  166   1HB   LEU  23           HB2      LEU  23   0.074   1.165   3.195
  167   2HB   LEU  23           HB1      LEU  23   1.290   2.371   3.623
  168    HG   LEU  23           HG       LEU  23   1.846  -0.546   4.099
  169   1HD1  LEU  23          HD12      LEU  23   1.750   0.925   1.513
  170   2HD1  LEU  23          HD11      LEU  23   3.057  -0.230   1.779
  171   3HD1  LEU  23          HD13      LEU  23   1.379  -0.763   1.865
  172   1HD2  LEU  23          HD23      LEU  23   3.212   1.905   4.456
  173   2HD2  LEU  23          HD22      LEU  23   3.860   0.279   4.664
  174   3HD2  LEU  23          HD21      LEU  23   3.997   1.090   3.104
  175    H    CYS  24           HN       CYS  24  -0.502   3.021   6.870
  176    HA   CYS  24           HA       CYS  24  -3.272   2.189   6.396
  177   1HB   CYS  24           HB2      CYS  24  -1.925   3.717   8.393
  178   2HB   CYS  24           HB1      CYS  24  -3.164   4.744   7.692
  179    H    GLY  25           HN       GLY  25  -4.346   2.818   4.624
  180   1HA   GLY  25           HA2      GLY  25  -3.306   4.631   2.756
  181   2HA   GLY  25           HA1      GLY  25  -4.979   4.170   2.810
  182    H    SER  26           HN       SER  26  -5.439   6.422   2.200
  183    HA   SER  26           HA       SER  26  -5.017   8.413   4.368
  184   1HB   SER  26           HB2      SER  26  -6.334   9.868   2.676
  185   2HB   SER  26           HB1      SER  26  -4.718   9.369   2.200
  186    HG   SER  26           HG       SER  26  -6.605   9.061   0.690
  187    H    ASP  27           HN       ASP  27  -7.401   6.217   3.141
  188    HA   ASP  27           HA       ASP  27  -9.646   7.605   4.452
  189   1HB   ASP  27           HB2      ASP  27 -11.049   5.977   3.442
  190   2HB   ASP  27           HB1      ASP  27  -9.795   6.292   2.242
  191    H    ASN  28           HN       ASN  28  -7.164   5.927   5.651
  192    HA   ASN  28           HA       ASN  28  -6.889   5.038   7.817
  193   1HB   ASN  28           HB2      ASN  28  -9.053   6.354   8.331
  194   2HB   ASN  28           HB1      ASN  28  -9.892   4.829   8.055
  195   1HD2  ASN  28          HD22      ASN  28  -9.147   3.650  11.274
  196   2HD2  ASN  28          HD21      ASN  28 -10.151   3.585   9.908
  197    H    LYS  29           HN       LYS  29  -7.140   3.507   5.310
  198    HA   LYS  29           HA       LYS  29  -8.292   0.954   6.346
  199   1HB   LYS  29           HB2      LYS  29  -8.683   2.093   3.914
  200   2HB   LYS  29           HB1      LYS  29  -7.271   1.097   3.563
  201   1HG   LYS  29           HG2      LYS  29  -8.679  -0.651   3.353
  202   2HG   LYS  29           HG1      LYS  29  -8.924  -0.555   5.098
  203   1HD   LYS  29           HD2      LYS  29 -10.883   0.730   4.880
  204   2HD   LYS  29           HD1      LYS  29 -10.492   1.210   3.228
  205   1HE   LYS  29           HE2      LYS  29 -12.293  -0.517   3.326
  206   2HE   LYS  29           HE1      LYS  29 -10.874  -1.062   2.430
  207   1HZ   LYS  29           HZ3      LYS  29 -11.033  -1.596   5.313
  208   2HZ   LYS  29           HZ2      LYS  29 -11.940  -2.563   4.250
  209   3HZ   LYS  29           HZ1      LYS  29 -10.250  -2.479   4.096
  210    H    THR  30           HN       THR  30  -6.596   0.194   7.645
  211    HA   THR  30           HA       THR  30  -3.829   0.385   6.942
  212    HB   THR  30           HB       THR  30  -5.256  -1.560   8.778
  213    HG1  THR  30           HG1      THR  30  -5.313   0.208   9.905
  214   1HG2  THR  30          HG22      THR  30  -3.077  -2.435   7.960
  215   2HG2  THR  30          HG21      THR  30  -2.296  -0.955   8.516
  216   3HG2  THR  30          HG23      THR  30  -3.034  -2.054   9.681
  217    H    TYR  31           HN       TYR  31  -2.655  -0.767   5.529
  218    HA   TYR  31           HA       TYR  31  -3.872  -3.228   4.349
  219   1HB   TYR  31           HB2      TYR  31  -1.879  -1.215   3.279
  220   2HB   TYR  31           HB1      TYR  31  -2.192  -2.752   2.481
  221    HD1  TYR  31           HD1      TYR  31  -3.702   0.457   3.544
  222    HD2  TYR  31           HD2      TYR  31  -4.244  -3.148   1.273
  223    HE1  TYR  31           HE1      TYR  31  -5.727   1.424   2.493
  224    HE2  TYR  31           HE2      TYR  31  -6.269  -2.180   0.219
  225    HH   TYR  31           HH       TYR  31  -6.987   0.989   0.190
  226    H    GLY  32           HN       GLY  32  -2.986  -5.059   5.135
  227   1HA   GLY  32           HA2      GLY  32  -1.105  -5.511   6.974
  228   2HA   GLY  32           HA1      GLY  32  -1.231  -6.607   5.609
  229    H    ASN  33           HN       ASN  33  -0.079  -5.505   3.534
  230    HA   ASN  33           HA       ASN  33   2.445  -4.256   4.491
  231   1HB   ASN  33           HB2      ASN  33   3.799  -5.698   3.055
  232   2HB   ASN  33           HB1      ASN  33   2.907  -6.643   4.218
  233   1HD2  ASN  33          HD22      ASN  33   2.346  -8.458   1.114
  234   2HD2  ASN  33          HD21      ASN  33   3.549  -8.254   2.292
  235    H    LYS  34           HN       LYS  34   3.755  -4.141   2.093
  236    HA   LYS  34           HA       LYS  34   2.526  -1.868   0.892
  237   1HB   LYS  34           HB2      LYS  34   4.433  -2.216  -0.752
  238   2HB   LYS  34           HB1      LYS  34   4.899  -2.014   0.922
  239   1HG   LYS  34           HG2      LYS  34   5.524  -4.218   1.162
  240   2HG   LYS  34           HG1      LYS  34   4.363  -4.796  -0.037
  241   1HD   LYS  34           HD2      LYS  34   6.950  -3.307  -0.602
  242   2HD   LYS  34           HD1      LYS  34   6.630  -5.011  -0.927
  243   1HE   LYS  34           HE2      LYS  34   5.710  -4.492  -2.910
  244   2HE   LYS  34           HE1      LYS  34   4.551  -3.427  -2.120
  245   1HZ   LYS  34           HZ1      LYS  34   7.340  -2.625  -2.714
  246   2HZ   LYS  34           HZ3      LYS  34   6.054  -2.342  -3.780
  247   3HZ   LYS  34           HZ2      LYS  34   6.051  -1.625  -2.240
  248    H    CYS  35           HN       CYS  35   2.439  -5.312   0.070
  249    HA   CYS  35           HA       CYS  35   1.503  -4.860  -2.624
  250   1HB   CYS  35           HB2      CYS  35   2.511  -6.998  -2.125
  251   2HB   CYS  35           HB1      CYS  35   1.360  -7.285  -0.820
  252    H    ASN  36           HN       ASN  36   0.042  -5.002   0.525
  253    HA   ASN  36           HA       ASN  36  -2.681  -5.320  -0.511
  254   1HB   ASN  36           HB2      ASN  36  -1.440  -4.876   2.185
  255   2HB   ASN  36           HB1      ASN  36  -3.149  -4.497   1.969
  256   1HD2  ASN  36          HD22      ASN  36  -1.918  -8.405   1.811
  257   2HD2  ASN  36          HD21      ASN  36  -0.774  -7.157   1.716
  258    H    PHE  37           HN       PHE  37  -0.647  -2.689   0.744
  259    HA   PHE  37           HA       PHE  37  -2.648  -0.626   0.533
  260   1HB   PHE  37           HB2      PHE  37  -0.459  -0.410   1.743
  261   2HB   PHE  37           HB1      PHE  37   0.345  -0.288   0.291
  262    HD1  PHE  37           HD1      PHE  37  -2.805   1.218   1.591
  263    HD2  PHE  37           HD2      PHE  37   0.925   1.705  -0.424
  264    HE1  PHE  37           HE1      PHE  37  -3.355   3.604   1.176
  265    HE2  PHE  37           HE2      PHE  37   0.400   4.085  -0.859
  266    HZ   PHE  37           HZ       PHE  37  -1.749   5.050  -0.052
  267    H    CYS  38           HN       CYS  38  -0.259  -1.944  -1.528
  268    HA   CYS  38           HA       CYS  38  -0.593   0.013  -3.667
  269   1HB   CYS  38           HB2      CYS  38   0.881  -2.598  -3.390
  270   2HB   CYS  38           HB1      CYS  38   0.660  -1.893  -4.990
  271    H    ASN  39           HN       ASN  39  -1.828  -3.261  -3.037
  272    HA   ASN  39           HA       ASN  39  -3.081  -3.661  -5.569
  273   1HB   ASN  39           HB2      ASN  39  -3.687  -4.668  -2.781
  274   2HB   ASN  39           HB1      ASN  39  -4.710  -5.097  -4.152
  275   1HD2  ASN  39          HD22      ASN  39  -2.078  -7.720  -3.905
  276   2HD2  ASN  39          HD21      ASN  39  -3.353  -7.187  -2.919
  277    H    ALA  40           HN       ALA  40  -3.972  -1.805  -2.730
  278    HA   ALA  40           HA       ALA  40  -6.699  -1.260  -3.593
  279   1HB   ALA  40           HB3      ALA  40  -5.061  -0.725  -1.297
  280   2HB   ALA  40           HB2      ALA  40  -5.739   0.798  -1.870
  281   3HB   ALA  40           HB1      ALA  40  -6.807  -0.543  -1.458
  282    H    VAL  41           HN       VAL  41  -3.570   0.398  -3.799
  283    HA   VAL  41           HA       VAL  41  -4.522   2.828  -4.982
  284    HB   VAL  41           HB       VAL  41  -1.841   1.444  -5.335
  285   1HG1  VAL  41          HG13      VAL  41  -2.536   3.382  -6.912
  286   2HG1  VAL  41          HG12      VAL  41  -2.379   4.407  -5.485
  287   3HG1  VAL  41          HG11      VAL  41  -0.984   3.509  -6.083
  288   1HG2  VAL  41          HG21      VAL  41  -2.790   2.058  -2.952
  289   2HG2  VAL  41          HG23      VAL  41  -1.124   2.464  -3.363
  290   3HG2  VAL  41          HG22      VAL  41  -2.375   3.704  -3.430
  291    H    VAL  42           HN       VAL  42  -3.796  -0.339  -6.275
  292    HA   VAL  42           HA       VAL  42  -3.907   0.555  -9.068
  293    HB   VAL  42           HB       VAL  42  -3.694  -1.886  -9.548
  294   1HG1  VAL  42          HG11      VAL  42  -1.847  -0.132  -8.457
  295   2HG1  VAL  42          HG13      VAL  42  -1.665  -1.584  -7.472
  296   3HG1  VAL  42          HG12      VAL  42  -1.471  -1.676  -9.223
  297   1HG2  VAL  42          HG23      VAL  42  -4.980  -2.619  -7.511
  298   2HG2  VAL  42          HG22      VAL  42  -3.438  -3.442  -7.720
  299   3HG2  VAL  42          HG21      VAL  42  -3.585  -2.155  -6.539
  300    H    GLU  43           HN       GLU  43  -6.131  -0.680  -6.699
  301    HA   GLU  43           HA       GLU  43  -8.130  -1.372  -8.735
  302   1HB   GLU  43           HB2      GLU  43  -9.481  -1.823  -6.659
  303   2HB   GLU  43           HB1      GLU  43  -8.105  -2.849  -6.824
  304   1HG   GLU  43           HG2      GLU  43  -6.930  -1.375  -5.267
  305   2HG   GLU  43           HG1      GLU  43  -8.338  -0.334  -5.171
  306    H    SER  44           HN       SER  44  -7.090   1.366  -7.040
  307    HA   SER  44           HA       SER  44  -9.792   2.626  -7.228
  308   1HB   SER  44           HB2      SER  44  -8.949   2.873  -5.020
  309   2HB   SER  44           HB1      SER  44  -7.335   3.276  -5.597
  310    HG   SER  44           HG       SER  44  -7.996   5.262  -5.496
  311    H    ASN  45           HN       ASN  45  -8.105   2.253  -9.591
  312    HA   ASN  45           HA       ASN  45  -7.266   3.518 -11.381
  313   1HB   ASN  45           HB2      ASN  45  -9.336   4.515 -11.645
  314   2HB   ASN  45           HB1      ASN  45  -9.351   5.210 -10.045
  315   1HD2  ASN  45          HD22      ASN  45  -8.635   8.299 -11.620
  316   2HD2  ASN  45          HD21      ASN  45  -9.700   7.413 -10.639
  317    H    GLY  46           HN       GLY  46  -5.715   3.329  -9.007
  318   1HA   GLY  46           HA2      GLY  46  -3.949   4.335  -7.855
  319   2HA   GLY  46           HA1      GLY  46  -3.510   4.911  -9.448
  320    H    THR  47           HN       THR  47  -6.332   5.816  -7.503
  321    HA   THR  47           HA       THR  47  -5.252   8.608  -7.451
  322    HB   THR  47           HB       THR  47  -7.528   9.410  -7.472
  323    HG1  THR  47           HG1      THR  47  -8.050   6.725  -6.911
  324   1HG2  THR  47          HG22      THR  47  -6.381   8.393  -9.601
  325   2HG2  THR  47          HG21      THR  47  -7.627   7.156  -9.444
  326   3HG2  THR  47          HG23      THR  47  -8.086   8.844  -9.665
  327    H    LEU  48           HN       LEU  48  -5.581   5.949  -5.593
  328    HA   LEU  48           HA       LEU  48  -6.663   7.111  -3.168
  329   1HB   LEU  48           HB2      LEU  48  -6.965   4.805  -3.195
  330   2HB   LEU  48           HB1      LEU  48  -5.441   4.512  -4.022
  331    HG   LEU  48           HG       LEU  48  -4.428   5.417  -1.708
  332   1HD1  LEU  48          HD12      LEU  48  -6.871   5.791  -0.962
  333   2HD1  LEU  48          HD11      LEU  48  -6.908   4.041  -0.745
  334   3HD1  LEU  48          HD13      LEU  48  -5.756   5.017   0.165
  335   1HD2  LEU  48          HD22      LEU  48  -4.453   3.052  -2.932
  336   2HD2  LEU  48          HD21      LEU  48  -3.889   3.218  -1.269
  337   3HD2  LEU  48          HD23      LEU  48  -5.525   2.644  -1.592
  338    H    THR  49           HN       THR  49  -5.510   8.014  -1.533
  339    HA   THR  49           HA       THR  49  -2.537   8.116  -1.822
  340    HB   THR  49           HB       THR  49  -2.521  10.369  -1.320
  341    HG1  THR  49           HG1      THR  49  -3.349  10.816   0.536
  342   1HG2  THR  49          HG21      THR  49  -5.374   9.965  -2.257
  343   2HG2  THR  49          HG23      THR  49  -4.578  11.535  -2.168
  344   3HG2  THR  49          HG22      THR  49  -3.967  10.298  -3.265
  345    H    LEU  50           HN       LEU  50  -1.468   8.215   0.417
  346    HA   LEU  50           HA       LEU  50  -3.207   6.685   2.260
  347   1HB   LEU  50           HB2      LEU  50  -1.449   5.337   2.679
  348   2HB   LEU  50           HB1      LEU  50  -0.771   6.021   1.218
  349    HG   LEU  50           HG       LEU  50  -0.195   7.644   3.604
  350   1HD1  LEU  50          HD11      LEU  50   0.837   4.815   3.371
  351   2HD1  LEU  50          HD13      LEU  50   1.384   6.019   4.538
  352   3HD1  LEU  50          HD12      LEU  50  -0.267   5.402   4.615
  353   1HD2  LEU  50          HD23      LEU  50   1.139   6.559   1.169
  354   2HD2  LEU  50          HD22      LEU  50   1.166   8.196   1.823
  355   3HD2  LEU  50          HD21      LEU  50   2.171   6.939   2.546
  356    H    SER  51           HN       SER  51  -2.110   7.031   4.678
  357    HA   SER  51           HA       SER  51  -2.145   9.986   5.045
  358   1HB   SER  51           HB2      SER  51  -3.882   7.960   6.171
  359   2HB   SER  51           HB1      SER  51  -2.964   8.715   7.420
  360    HG   SER  51           HG       SER  51  -4.262  10.334   7.227
  361    H    HIS  52           HN       HIS  52  -0.631   6.940   5.778
  362    HA   HIS  52           HA       HIS  52   1.802   8.111   6.634
  363   1HB   HIS  52           HB2      HIS  52   1.715   7.688   9.059
  364   2HB   HIS  52           HB1      HIS  52   0.478   8.854   8.589
  365    HD1  HIS  52           HD1      HIS  52   0.523   6.562  10.995
  366    HD2  HIS  52           HD2      HIS  52  -1.788   6.624   7.518
  367    HE1  HIS  52           HE1      HIS  52  -1.484   5.084  11.435
  368    H    PHE  53           HN       PHE  53   3.371   6.517   6.742
  369    HA   PHE  53           HA       PHE  53   2.611   3.817   6.008
  370   1HB   PHE  53           HB2      PHE  53   5.239   5.076   6.817
  371   2HB   PHE  53           HB1      PHE  53   5.078   3.362   6.441
  372    HD1  PHE  53           HD2      PHE  53   4.093   6.691   5.004
  373    HD2  PHE  53           HD1      PHE  53   5.465   2.691   4.250
  374    HE1  PHE  53           HE2      PHE  53   4.260   7.203   2.584
  375    HE2  PHE  53           HE1      PHE  53   5.634   3.203   1.831
  376    HZ   PHE  53           HZ       PHE  53   5.032   5.460   0.997
  377    H    GLY  54           HN       GLY  54   1.658   2.551   7.517
  378   1HA   GLY  54           HA2      GLY  54   2.667   1.253   9.608
  379   2HA   GLY  54           HA1      GLY  54   2.371   2.799  10.337
  380    H    LYS  55           HN       LYS  55   0.918   1.143  11.560
  381    HA   LYS  55           HA       LYS  55  -1.676   0.704  10.234
  382   1HB   LYS  55           HB2      LYS  55  -2.088   0.167  12.924
  383   2HB   LYS  55           HB1      LYS  55  -1.677  -1.029  11.701
  384   1HG   LYS  55           HG2      LYS  55   0.657  -0.897  12.242
  385   2HG   LYS  55           HG1      LYS  55   0.409   0.538  13.239
  386   1HD   LYS  55           HD2      LYS  55   0.373  -0.982  14.943
  387   2HD   LYS  55           HD1      LYS  55  -1.309  -1.173  14.450
  388   1HE   LYS  55           HE2      LYS  55  -0.309  -2.925  12.755
  389   2HE   LYS  55           HE1      LYS  55   1.039  -2.957  13.894
  390   1HZ   LYS  55           HZ1      LYS  55  -1.215  -3.061  15.452
  391   2HZ   LYS  55           HZ3      LYS  55  -1.562  -4.089  14.148
  392   3HZ   LYS  55           HZ2      LYS  55  -0.174  -4.355  15.090
  393    H    CYS  56           HN       CYS  56  -3.620   1.788  10.906
  394    HA   CYS  56           HA       CYS  56  -3.276   4.556  11.560
  395   1HB   CYS  56           HB2      CYS  56  -5.685   2.743  11.441
  396   2HB   CYS  56           HB1      CYS  56  -5.827   4.428  11.945
   
  No H/Q in entry =         396
  Start of MODEL          38
 Raw file had  401 H/Q atoms
  Start of MODEL   38
    1   1H    LEU   1           HT2      LEU   1  14.760   7.282   2.919
    2   2H    LEU   1           HT1      LEU   1  15.661   7.349   1.480
    3   3H    LEU   1           HT3      LEU   1  15.985   8.446   2.732
    4    HA   LEU   1           HA       LEU   1  14.723   9.815   1.482
    5   1HB   LEU   1           HB2      LEU   1  12.817   8.854   0.062
    6   2HB   LEU   1           HB1      LEU   1  14.452   8.399  -0.421
    7    HG   LEU   1           HG       LEU   1  13.865   6.429   1.386
    8   1HD1  LEU   1          HD11      LEU   1  11.436   7.621   1.098
    9   2HD1  LEU   1          HD13      LEU   1  11.363   6.430  -0.200
   10   3HD1  LEU   1          HD12      LEU   1  11.644   5.908   1.461
   11   1HD2  LEU   1          HD22      LEU   1  14.180   6.728  -1.449
   12   2HD2  LEU   1          HD21      LEU   1  14.487   5.299  -0.463
   13   3HD2  LEU   1          HD23      LEU   1  12.887   5.567  -1.153
   14    H    ALA   2           HN       ALA   2  13.518  10.984   2.888
   15    HA   ALA   2           HA       ALA   2  11.792   9.717   4.858
   16   1HB   ALA   2           HB3      ALA   2  13.087  12.159   4.662
   17   2HB   ALA   2           HB2      ALA   2  11.390  12.589   4.446
   18   3HB   ALA   2           HB1      ALA   2  11.904  11.726   5.895
   19    H    ALA   3           HN       ALA   3  11.359  10.426   1.616
   20    HA   ALA   3           HA       ALA   3   8.832  11.573   1.362
   21   1HB   ALA   3           HB1      ALA   3  10.313  10.797  -0.524
   22   2HB   ALA   3           HB3      ALA   3   9.766   9.151  -0.201
   23   3HB   ALA   3           HB2      ALA   3   8.612  10.376  -0.729
   24    H    VAL   4           HN       VAL   4   6.943  11.055   2.343
   25    HA   VAL   4           HA       VAL   4   6.555   8.312   3.385
   26    HB   VAL   4           HB       VAL   4   4.527   9.300   4.458
   27   1HG1  VAL   4          HG11      VAL   4   6.958   9.427   5.380
   28   2HG1  VAL   4          HG13      VAL   4   6.859  11.139   4.965
   29   3HG1  VAL   4          HG12      VAL   4   5.727  10.446   6.126
   30   1HG2  VAL   4          HG22      VAL   4   4.803  11.211   2.442
   31   2HG2  VAL   4          HG21      VAL   4   3.698  11.306   3.814
   32   3HG2  VAL   4          HG23      VAL   4   5.286  12.067   3.906
   33    H    SER   5           HN       SER   5   6.251   7.264   1.308
   34    HA   SER   5           HA       SER   5   3.540   6.993   0.505
   35   1HB   SER   5           HB2      SER   5   3.876   8.021  -1.845
   36   2HB   SER   5           HB1      SER   5   3.565   9.127  -0.510
   37    HG   SER   5           HG       SER   5   5.401   9.620  -1.951
   38    H    VAL   6           HN       VAL   6   3.448   5.005  -0.431
   39    HA   VAL   6           HA       VAL   6   5.980   3.800  -1.385
   40    HB   VAL   6           HB       VAL   6   3.328   2.378  -1.259
   41   1HG1  VAL   6          HG13      VAL   6   6.244   1.677  -1.207
   42   2HG1  VAL   6          HG12      VAL   6   5.090   0.594  -0.430
   43   3HG1  VAL   6          HG11      VAL   6   4.941   0.954  -2.149
   44   1HG2  VAL   6          HG21      VAL   6   4.607   3.693   0.936
   45   2HG2  VAL   6          HG23      VAL   6   3.203   2.629   0.977
   46   3HG2  VAL   6          HG22      VAL   6   4.824   1.957   1.142
   47    H    ASP   7           HN       ASP   7   6.048   2.707  -3.474
   48    HA   ASP   7           HA       ASP   7   4.213   3.989  -5.452
   49   1HB   ASP   7           HB2      ASP   7   6.529   4.570  -5.855
   50   2HB   ASP   7           HB1      ASP   7   7.017   2.878  -5.754
   51    H    CYS   8           HN       CYS   8   3.022   2.683  -6.823
   52    HA   CYS   8           HA       CYS   8   3.532  -0.254  -6.734
   53   1HB   CYS   8           HB2      CYS   8   0.732   0.869  -6.642
   54   2HB   CYS   8           HB1      CYS   8   1.270  -0.766  -6.265
   55    H    SER   9           HN       SER   9   4.379   1.289  -8.847
   56    HA   SER   9           HA       SER   9   2.295   1.431 -10.897
   57   1HB   SER   9           HB2      SER   9   4.287   3.005 -10.747
   58   2HB   SER   9           HB1      SER   9   5.283   1.663 -11.305
   59    HG   SER   9           HG       SER   9   4.170   1.639 -13.208
   60    H    GLU  10           HN       GLU  10   3.672  -1.134  -9.566
   61    HA   GLU  10           HA       GLU  10   3.818  -2.638 -12.151
   62   1HB   GLU  10           HB2      GLU  10   5.322  -3.060  -9.554
   63   2HB   GLU  10           HB1      GLU  10   5.264  -4.268 -10.839
   64   1HG   GLU  10           HG2      GLU  10   7.196  -3.127 -11.430
   65   2HG   GLU  10           HG1      GLU  10   5.997  -2.218 -12.350
   66    H    TYR  11           HN       TYR  11   1.783  -1.998  -9.773
   67    HA   TYR  11           HA       TYR  11   0.965  -4.742  -9.100
   68   1HB   TYR  11           HB2      TYR  11   0.342  -1.963  -8.164
   69   2HB   TYR  11           HB1      TYR  11  -0.830  -3.228  -7.830
   70    HD1  TYR  11           HD1      TYR  11  -0.220  -5.165  -6.394
   71    HD2  TYR  11           HD2      TYR  11   2.547  -1.976  -7.184
   72    HE1  TYR  11           HE1      TYR  11   1.240  -5.966  -4.544
   73    HE2  TYR  11           HE2      TYR  11   3.997  -2.775  -5.341
   74    HH   TYR  11           HH       TYR  11   3.271  -5.777  -3.611
   75    HA   PRO  12           HA       PRO  12  -1.096  -4.956  -8.056
   76   1HB   PRO  12           HB2      PRO  12  -3.252  -6.634  -8.348
   77   2HB   PRO  12           HB1      PRO  12  -3.407  -4.910  -7.970
   78   1HG   PRO  12           HG2      PRO  12  -4.074  -6.310 -10.480
   79   2HG   PRO  12           HG1      PRO  12  -4.533  -4.680  -9.959
   80   1HD   PRO  12           HD2      PRO  12  -2.403  -5.461 -11.761
   81   2HD   PRO  12           HD1      PRO  12  -2.944  -3.830 -11.411
   82    H    LYS  13           HN       LYS  13  -0.405  -6.990  -7.220
   83    HA   LYS  13           HA       LYS  13   0.308  -9.023  -9.297
   84   1HB   LYS  13           HB2      LYS  13   1.920  -9.193  -6.882
   85   2HB   LYS  13           HB1      LYS  13   2.442  -9.040  -8.555
   86   1HG   LYS  13           HG2      LYS  13   2.136  -6.618  -8.471
   87   2HG   LYS  13           HG1      LYS  13   1.508  -6.733  -6.827
   88   1HD   LYS  13           HD2      LYS  13   3.593  -7.255  -5.922
   89   2HD   LYS  13           HD1      LYS  13   4.212  -7.877  -7.453
   90   1HE   LYS  13           HE2      LYS  13   3.438  -5.064  -7.631
   91   2HE   LYS  13           HE1      LYS  13   4.694  -5.339  -6.424
   92   1HZ   LYS  13           HZ2      LYS  13   4.834  -6.469  -9.158
   93   2HZ   LYS  13           HZ1      LYS  13   5.473  -4.943  -8.768
   94   3HZ   LYS  13           HZ3      LYS  13   6.084  -6.335  -8.015
   95    HA   PRO  14           HA       PRO  14  -2.102 -11.761  -6.816
   96   1HB   PRO  14           HB2      PRO  14  -1.215 -14.115  -7.918
   97   2HB   PRO  14           HB1      PRO  14  -2.359 -13.025  -8.720
   98   1HG   PRO  14           HG2      PRO  14   0.536 -13.459  -9.291
   99   2HG   PRO  14           HG1      PRO  14  -0.756 -12.939 -10.383
  100   1HD   PRO  14           HD2      PRO  14   1.179 -11.257  -9.232
  101   2HD   PRO  14           HD1      PRO  14  -0.321 -10.727  -9.977
  102    H    ALA  15           HN       ALA  15   0.949 -11.102  -6.164
  103    HA   ALA  15           HA       ALA  15   1.143 -13.216  -4.078
  104   1HB   ALA  15           HB3      ALA  15   3.345 -12.349  -5.970
  105   2HB   ALA  15           HB2      ALA  15   3.640 -13.262  -4.489
  106   3HB   ALA  15           HB1      ALA  15   2.673 -13.970  -5.783
  107    H    CYS  16           HN       CYS  16   1.098 -12.112  -2.177
  108    HA   CYS  16           HA       CYS  16   2.315  -9.390  -2.097
  109   1HB   CYS  16           HB2      CYS  16   0.393 -10.733  -0.165
  110   2HB   CYS  16           HB1      CYS  16   0.994  -9.082  -0.027
  111    H    THR  17           HN       THR  17   4.228  -9.145  -1.015
  112    HA   THR  17           HA       THR  17   5.733 -11.277   0.023
  113    HB   THR  17           HB       THR  17   6.865  -9.389   1.430
  114    HG1  THR  17           HG1      THR  17   6.166  -7.396   1.059
  115   1HG2  THR  17          HG21      THR  17   6.653  -9.468  -1.579
  116   2HG2  THR  17          HG23      THR  17   7.764  -8.373  -0.757
  117   3HG2  THR  17          HG22      THR  17   7.935 -10.117  -0.556
  118    H    LEU  18           HN       LEU  18   6.443 -11.140   2.563
  119    HA   LEU  18           HA       LEU  18   3.857 -11.373   4.037
  120   1HB   LEU  18           HB2      LEU  18   5.108 -12.920   5.558
  121   2HB   LEU  18           HB1      LEU  18   5.043 -13.500   3.892
  122    HG   LEU  18           HG       LEU  18   7.331 -11.797   4.174
  123   1HD1  LEU  18          HD12      LEU  18   6.730 -12.987   6.615
  124   2HD1  LEU  18          HD11      LEU  18   7.902 -14.092   5.894
  125   3HD1  LEU  18          HD13      LEU  18   8.316 -12.392   6.121
  126   1HD2  LEU  18          HD23      LEU  18   6.873 -13.736   2.580
  127   2HD2  LEU  18          HD22      LEU  18   8.480 -13.718   3.307
  128   3HD2  LEU  18          HD21      LEU  18   7.247 -14.816   3.924
  129    H    GLU  19           HN       GLU  19   6.948  -9.770   3.979
  130    HA   GLU  19           HA       GLU  19   7.387  -9.006   6.611
  131   1HB   GLU  19           HB2      GLU  19   7.614  -7.467   4.027
  132   2HB   GLU  19           HB1      GLU  19   7.984  -6.686   5.566
  133   1HG   GLU  19           HG2      GLU  19  10.009  -7.662   5.581
  134   2HG   GLU  19           HG1      GLU  19   9.244  -9.250   5.557
  135    H    TYR  20           HN       TYR  20   6.173  -7.934   8.129
  136    HA   TYR  20           HA       TYR  20   3.508  -7.019   7.345
  137   1HB   TYR  20           HB2      TYR  20   4.041  -8.258   9.502
  138   2HB   TYR  20           HB1      TYR  20   4.762  -6.755  10.082
  139    HD1  TYR  20           HD2      TYR  20   1.745  -7.368   7.949
  140    HD2  TYR  20           HD1      TYR  20   3.281  -5.835  11.656
  141    HE1  TYR  20           HE2      TYR  20  -0.508  -6.498   8.518
  142    HE2  TYR  20           HE1      TYR  20   1.030  -4.964  12.228
  143    HH   TYR  20           HH       TYR  20  -1.727  -5.389  10.003
  144    H    ARG  21           HN       ARG  21   4.121  -5.221   5.997
  145    HA   ARG  21           HA       ARG  21   5.021  -2.821   7.544
  146   1HB   ARG  21           HB2      ARG  21   5.018  -3.052   4.527
  147   2HB   ARG  21           HB1      ARG  21   5.921  -1.920   5.535
  148   1HG   ARG  21           HG2      ARG  21   6.531  -4.695   6.203
  149   2HG   ARG  21           HG1      ARG  21   6.885  -4.329   4.515
  150   1HD   ARG  21           HD2      ARG  21   7.753  -2.133   6.156
  151   2HD   ARG  21           HD1      ARG  21   8.423  -3.634   6.795
  152    HE   ARG  21           HE       ARG  21   9.942  -3.332   5.006
  153   1HH1  ARG  21          HH11      ARG  21   7.841  -1.200   3.897
  154   2HH1  ARG  21          HH12      ARG  21   7.696  -1.799   2.279
  155   1HH2  ARG  21          HH21      ARG  21   9.258  -4.815   2.970
  156   2HH2  ARG  21          HH22      ARG  21   8.497  -3.844   1.754
  157    HA   PRO  22           HA       PRO  22   0.511  -2.558   6.702
  158   1HB   PRO  22           HB2      PRO  22   0.013  -1.166   9.044
  159   2HB   PRO  22           HB1      PRO  22  -0.011  -2.940   8.896
  160   1HG   PRO  22           HG2      PRO  22   2.109  -1.156  10.043
  161   2HG   PRO  22           HG1      PRO  22   1.657  -2.806  10.511
  162   1HD   PRO  22           HD2      PRO  22   3.889  -2.191   8.982
  163   2HD   PRO  22           HD1      PRO  22   3.069  -3.768   8.955
  164    H    LEU  23           HN       LEU  23   0.209  -1.009   5.112
  165    HA   LEU  23           HA       LEU  23   1.156   1.742   5.712
  166   1HB   LEU  23           HB2      LEU  23  -0.045   0.734   3.128
  167   2HB   LEU  23           HB1      LEU  23   0.980   2.151   3.372
  168    HG   LEU  23           HG       LEU  23   2.206  -0.346   4.308
  169   1HD1  LEU  23          HD11      LEU  23   0.876  -1.097   2.299
  170   2HD1  LEU  23          HD13      LEU  23   1.819   0.043   1.337
  171   3HD1  LEU  23          HD12      LEU  23   2.623  -1.299   2.153
  172   1HD2  LEU  23          HD22      LEU  23   2.888   2.183   2.964
  173   2HD2  LEU  23          HD21      LEU  23   3.808   1.249   4.145
  174   3HD2  LEU  23          HD23      LEU  23   3.843   0.796   2.441
  175    H    CYS  24           HN       CYS  24  -0.329   2.990   6.683
  176    HA   CYS  24           HA       CYS  24  -3.191   2.354   6.575
  177   1HB   CYS  24           HB2      CYS  24  -2.457   3.385   8.626
  178   2HB   CYS  24           HB1      CYS  24  -1.589   4.627   7.757
  179    H    GLY  25           HN       GLY  25  -4.565   3.147   4.974
  180   1HA   GLY  25           HA2      GLY  25  -3.408   4.717   2.889
  181   2HA   GLY  25           HA1      GLY  25  -5.109   4.389   3.014
  182    H    SER  26           HN       SER  26  -5.265   6.753   2.366
  183    HA   SER  26           HA       SER  26  -4.639   8.621   4.577
  184   1HB   SER  26           HB2      SER  26  -4.240   9.136   2.076
  185   2HB   SER  26           HB1      SER  26  -5.986   9.348   1.972
  186    HG   SER  26           HG       SER  26  -4.860  11.303   2.440
  187    H    ASP  27           HN       ASP  27  -7.196   6.645   3.664
  188    HA   ASP  27           HA       ASP  27  -9.224   8.532   4.735
  189   1HB   ASP  27           HB2      ASP  27 -10.891   6.943   3.906
  190   2HB   ASP  27           HB1      ASP  27  -9.754   7.346   2.623
  191    H    ASN  28           HN       ASN  28  -7.611   5.488   5.440
  192    HA   ASN  28           HA       ASN  28  -7.323   5.223   7.979
  193   1HB   ASN  28           HB2      ASN  28 -10.321   5.464   7.743
  194   2HB   ASN  28           HB1      ASN  28  -9.596   4.496   9.015
  195   1HD2  ASN  28          HD22      ASN  28  -9.903   7.974  10.330
  196   2HD2  ASN  28          HD21      ASN  28 -10.996   6.798   9.782
  197    H    LYS  29           HN       LYS  29  -7.309   3.608   5.438
  198    HA   LYS  29           HA       LYS  29  -8.326   1.047   6.618
  199   1HB   LYS  29           HB2      LYS  29  -7.495   1.022   3.777
  200   2HB   LYS  29           HB1      LYS  29  -8.896   0.291   4.552
  201   1HG   LYS  29           HG2      LYS  29  -9.728   2.749   4.819
  202   2HG   LYS  29           HG1      LYS  29  -8.556   3.097   3.549
  203   1HD   LYS  29           HD2      LYS  29 -10.205   2.503   2.109
  204   2HD   LYS  29           HD1      LYS  29  -9.826   0.846   2.582
  205   1HE   LYS  29           HE2      LYS  29 -11.579   2.214   4.494
  206   2HE   LYS  29           HE1      LYS  29 -12.290   2.065   2.888
  207   1HZ   LYS  29           HZ1      LYS  29 -10.953  -0.321   3.732
  208   2HZ   LYS  29           HZ3      LYS  29 -12.209   0.117   4.784
  209   3HZ   LYS  29           HZ2      LYS  29 -12.529  -0.116   3.133
  210    H    THR  30           HN       THR  30  -6.708  -0.008   7.628
  211    HA   THR  30           HA       THR  30  -3.911   0.401   6.886
  212    HB   THR  30           HB       THR  30  -5.250  -1.452   8.878
  213    HG1  THR  30           HG1      THR  30  -4.018   0.089  10.262
  214   1HG2  THR  30          HG22      THR  30  -3.025  -2.271   7.915
  215   2HG2  THR  30          HG21      THR  30  -2.295  -0.853   8.667
  216   3HG2  THR  30          HG23      THR  30  -3.088  -2.070   9.666
  217    H    TYR  31           HN       TYR  31  -2.875  -0.738   5.340
  218    HA   TYR  31           HA       TYR  31  -4.080  -3.296   4.391
  219   1HB   TYR  31           HB2      TYR  31  -2.138  -1.339   3.144
  220   2HB   TYR  31           HB1      TYR  31  -2.455  -2.923   2.448
  221    HD1  TYR  31           HD1      TYR  31  -4.120   0.226   3.558
  222    HD2  TYR  31           HD2      TYR  31  -4.386  -3.298   1.117
  223    HE1  TYR  31           HE1      TYR  31  -6.177   1.113   2.496
  224    HE2  TYR  31           HE2      TYR  31  -6.444  -2.414   0.060
  225    HH   TYR  31           HH       TYR  31  -8.345  -0.482   1.077
  226    H    GLY  32           HN       GLY  32  -3.053  -5.179   4.914
  227   1HA   GLY  32           HA2      GLY  32  -1.159  -5.540   6.815
  228   2HA   GLY  32           HA1      GLY  32  -1.248  -6.636   5.448
  229    H    ASN  33           HN       ASN  33  -0.191  -5.366   3.348
  230    HA   ASN  33           HA       ASN  33   2.233  -3.949   4.268
  231   1HB   ASN  33           HB2      ASN  33   3.759  -5.403   3.024
  232   2HB   ASN  33           HB1      ASN  33   2.899  -6.306   4.244
  233   1HD2  ASN  33          HD22      ASN  33   2.574  -8.482   1.367
  234   2HD2  ASN  33          HD21      ASN  33   3.679  -8.086   2.589
  235    H    LYS  34           HN       LYS  34   3.609  -4.004   1.877
  236    HA   LYS  34           HA       LYS  34   2.318  -1.908   0.456
  237   1HB   LYS  34           HB2      LYS  34   4.226  -2.472  -1.211
  238   2HB   LYS  34           HB1      LYS  34   4.654  -1.869   0.376
  239   1HG   LYS  34           HG2      LYS  34   5.331  -3.988   1.129
  240   2HG   LYS  34           HG1      LYS  34   4.406  -4.836  -0.113
  241   1HD   LYS  34           HD2      LYS  34   6.786  -3.053  -0.708
  242   2HD   LYS  34           HD1      LYS  34   6.904  -4.801  -0.503
  243   1HE   LYS  34           HE2      LYS  34   6.613  -4.713  -2.791
  244   2HE   LYS  34           HE1      LYS  34   4.924  -4.773  -2.286
  245   1HZ   LYS  34           HZ1      LYS  34   5.933  -2.111  -2.261
  246   2HZ   LYS  34           HZ3      LYS  34   6.111  -2.815  -3.794
  247   3HZ   LYS  34           HZ2      LYS  34   4.577  -2.742  -3.068
  248    H    CYS  35           HN       CYS  35   2.524  -5.410  -0.234
  249    HA   CYS  35           HA       CYS  35   1.496  -5.197  -2.875
  250   1HB   CYS  35           HB2      CYS  35   2.510  -7.278  -2.179
  251   2HB   CYS  35           HB1      CYS  35   1.343  -7.455  -0.870
  252    H    ASN  36           HN       ASN  36  -0.002  -5.136   0.269
  253    HA   ASN  36           HA       ASN  36  -2.713  -5.488  -0.787
  254   1HB   ASN  36           HB2      ASN  36  -1.511  -4.909   1.911
  255   2HB   ASN  36           HB1      ASN  36  -3.237  -4.655   1.652
  256   1HD2  ASN  36          HD22      ASN  36  -1.743  -8.478   1.645
  257   2HD2  ASN  36          HD21      ASN  36  -0.682  -7.161   1.511
  258    H    PHE  37           HN       PHE  37  -1.073  -2.782   0.905
  259    HA   PHE  37           HA       PHE  37  -2.961  -0.770   0.385
  260   1HB   PHE  37           HB2      PHE  37  -0.837  -0.573   1.697
  261   2HB   PHE  37           HB1      PHE  37   0.038  -0.322   0.301
  262    HD1  PHE  37           HD1      PHE  37  -3.079   1.073   1.840
  263    HD2  PHE  37           HD2      PHE  37   0.384   1.629  -0.597
  264    HE1  PHE  37           HE1      PHE  37  -3.709   3.455   1.512
  265    HE2  PHE  37           HE2      PHE  37  -0.220   4.000  -0.948
  266    HZ   PHE  37           HZ       PHE  37  -2.268   4.933   0.117
  267    H    CYS  38           HN       CYS  38  -0.557  -2.162  -1.559
  268    HA   CYS  38           HA       CYS  38  -0.742  -0.211  -3.728
  269   1HB   CYS  38           HB2      CYS  38   0.507  -2.961  -3.526
  270   2HB   CYS  38           HB1      CYS  38   0.452  -2.085  -5.053
  271    H    ASN  39           HN       ASN  39  -2.183  -3.383  -3.040
  272    HA   ASN  39           HA       ASN  39  -3.450  -3.802  -5.558
  273   1HB   ASN  39           HB2      ASN  39  -4.046  -4.684  -2.738
  274   2HB   ASN  39           HB1      ASN  39  -5.189  -5.028  -4.030
  275   1HD2  ASN  39          HD22      ASN  39  -1.637  -6.537  -5.143
  276   2HD2  ASN  39          HD21      ASN  39  -1.857  -4.868  -4.978
  277    H    ALA  40           HN       ALA  40  -4.038  -1.521  -3.053
  278    HA   ALA  40           HA       ALA  40  -6.797  -0.960  -3.940
  279   1HB   ALA  40           HB2      ALA  40  -5.037  -0.077  -1.693
  280   2HB   ALA  40           HB1      ALA  40  -6.289   1.043  -2.228
  281   3HB   ALA  40           HB3      ALA  40  -6.731  -0.569  -1.662
  282    H    VAL  41           HN       VAL  41  -3.583   0.549  -3.960
  283    HA   VAL  41           HA       VAL  41  -4.324   2.982  -5.274
  284    HB   VAL  41           HB       VAL  41  -1.709   1.462  -5.538
  285   1HG1  VAL  41          HG13      VAL  41  -2.544   4.334  -5.948
  286   2HG1  VAL  41          HG12      VAL  41  -0.861   3.883  -5.680
  287   3HG1  VAL  41          HG11      VAL  41  -1.728   3.260  -7.083
  288   1HG2  VAL  41          HG22      VAL  41  -2.815   2.141  -3.158
  289   2HG2  VAL  41          HG21      VAL  41  -1.076   2.161  -3.450
  290   3HG2  VAL  41          HG23      VAL  41  -2.007   3.656  -3.557
  291    H    VAL  42           HN       VAL  42  -3.846  -0.266  -6.365
  292    HA   VAL  42           HA       VAL  42  -3.764   0.498  -9.212
  293    HB   VAL  42           HB       VAL  42  -3.556  -1.973  -9.554
  294   1HG1  VAL  42          HG13      VAL  42  -1.727  -0.150  -8.537
  295   2HG1  VAL  42          HG12      VAL  42  -1.552  -1.547  -7.476
  296   3HG1  VAL  42          HG11      VAL  42  -1.337  -1.729  -9.218
  297   1HG2  VAL  42          HG22      VAL  42  -4.427  -1.947  -6.779
  298   2HG2  VAL  42          HG21      VAL  42  -4.339  -3.299  -7.904
  299   3HG2  VAL  42          HG23      VAL  42  -2.916  -2.834  -6.975
  300    H    GLU  43           HN       GLU  43  -5.980  -0.890  -6.863
  301    HA   GLU  43           HA       GLU  43  -7.984  -1.427  -8.975
  302   1HB   GLU  43           HB2      GLU  43  -7.478  -2.708  -6.612
  303   2HB   GLU  43           HB1      GLU  43  -8.789  -1.642  -6.138
  304   1HG   GLU  43           HG2      GLU  43  -9.500  -2.704  -8.663
  305   2HG   GLU  43           HG1      GLU  43  -8.913  -4.057  -7.694
  306    H    SER  44           HN       SER  44  -6.954   1.322  -7.903
  307    HA   SER  44           HA       SER  44  -9.689   2.509  -7.691
  308   1HB   SER  44           HB2      SER  44  -9.210   3.642  -5.757
  309   2HB   SER  44           HB1      SER  44  -8.059   2.331  -5.523
  310    HG   SER  44           HG       SER  44  -7.087   4.396  -5.317
  311    H    ASN  45           HN       ASN  45  -7.495   2.230  -9.826
  312    HA   ASN  45           HA       ASN  45  -6.711   3.573 -11.580
  313   1HB   ASN  45           HB2      ASN  45  -8.892   5.199 -10.367
  314   2HB   ASN  45           HB1      ASN  45  -7.717   6.073 -11.344
  315   1HD2  ASN  45          HD22      ASN  45 -10.527   3.965 -13.228
  316   2HD2  ASN  45          HD21      ASN  45 -10.610   4.408 -11.591
  317    H    GLY  46           HN       GLY  46  -5.620   3.563  -8.710
  318   1HA   GLY  46           HA2      GLY  46  -3.762   4.488  -7.639
  319   2HA   GLY  46           HA1      GLY  46  -3.366   5.271  -9.165
  320    H    THR  47           HN       THR  47  -6.480   5.814  -7.729
  321    HA   THR  47           HA       THR  47  -5.775   8.662  -7.357
  322    HB   THR  47           HB       THR  47  -8.145   9.057  -7.228
  323    HG1  THR  47           HG1      THR  47  -9.377   6.871  -7.425
  324   1HG2  THR  47          HG23      THR  47  -7.003   8.153  -9.450
  325   2HG2  THR  47          HG22      THR  47  -8.117   6.808  -9.198
  326   3HG2  THR  47          HG21      THR  47  -8.741   8.448  -9.377
  327    H    LEU  48           HN       LEU  48  -5.864   5.841  -5.501
  328    HA   LEU  48           HA       LEU  48  -6.798   7.005  -3.022
  329   1HB   LEU  48           HB2      LEU  48  -7.157   4.686  -3.208
  330   2HB   LEU  48           HB1      LEU  48  -5.557   4.400  -3.887
  331    HG   LEU  48           HG       LEU  48  -5.025   5.507  -1.392
  332   1HD1  LEU  48          HD13      LEU  48  -7.448   3.730  -1.323
  333   2HD1  LEU  48          HD12      LEU  48  -6.368   3.884   0.063
  334   3HD1  LEU  48          HD11      LEU  48  -7.220   5.301  -0.553
  335   1HD2  LEU  48          HD23      LEU  48  -4.847   2.899  -2.739
  336   2HD2  LEU  48          HD22      LEU  48  -3.632   3.762  -1.793
  337   3HD2  LEU  48          HD21      LEU  48  -4.866   2.799  -0.978
  338    H    THR  49           HN       THR  49  -5.577   8.040  -1.550
  339    HA   THR  49           HA       THR  49  -2.599   7.970  -1.858
  340    HB   THR  49           HB       THR  49  -2.485  10.238  -1.160
  341    HG1  THR  49           HG1      THR  49  -3.920  11.085   0.133
  342   1HG2  THR  49          HG21      THR  49  -4.791   9.722  -3.017
  343   2HG2  THR  49          HG23      THR  49  -4.392  11.374  -2.548
  344   3HG2  THR  49          HG22      THR  49  -3.197  10.381  -3.383
  345    H    LEU  50           HN       LEU  50  -1.447   7.764   0.205
  346    HA   LEU  50           HA       LEU  50  -3.226   6.594   2.248
  347   1HB   LEU  50           HB2      LEU  50  -1.600   5.083   2.577
  348   2HB   LEU  50           HB1      LEU  50  -0.845   5.744   1.138
  349    HG   LEU  50           HG       LEU  50  -0.216   7.149   3.689
  350   1HD1  LEU  50          HD11      LEU  50  -0.184   4.361   3.596
  351   2HD1  LEU  50          HD13      LEU  50   1.486   4.857   3.330
  352   3HD1  LEU  50          HD12      LEU  50   0.625   5.394   4.774
  353   1HD2  LEU  50          HD23      LEU  50   1.275   6.223   1.227
  354   2HD2  LEU  50          HD22      LEU  50   0.914   7.883   1.706
  355   3HD2  LEU  50          HD21      LEU  50   2.087   6.936   2.621
  356    H    SER  51           HN       SER  51  -2.087   6.952   4.634
  357    HA   SER  51           HA       SER  51  -1.895   9.906   4.901
  358   1HB   SER  51           HB2      SER  51  -3.457   7.909   6.418
  359   2HB   SER  51           HB1      SER  51  -2.411   8.854   7.392
  360    HG   SER  51           HG       SER  51  -4.011  10.225   7.254
  361    H    HIS  52           HN       HIS  52  -0.721   6.790   6.177
  362    HA   HIS  52           HA       HIS  52   1.964   7.862   6.528
  363   1HB   HIS  52           HB2      HIS  52   2.050   7.839   8.932
  364   2HB   HIS  52           HB1      HIS  52   0.624   8.787   8.497
  365    HD1  HIS  52           HD1      HIS  52   1.513   6.295  10.815
  366    HD2  HIS  52           HD2      HIS  52  -1.721   6.660   8.195
  367    HE1  HIS  52           HE1      HIS  52  -0.286   4.715  11.652
  368    H    PHE  53           HN       PHE  53   3.451   6.156   6.733
  369    HA   PHE  53           HA       PHE  53   2.642   3.495   6.130
  370   1HB   PHE  53           HB2      PHE  53   5.148   4.612   7.416
  371   2HB   PHE  53           HB1      PHE  53   4.957   2.898   7.057
  372    HD1  PHE  53           HD2      PHE  53   4.876   6.289   5.494
  373    HD2  PHE  53           HD1      PHE  53   5.339   2.064   4.881
  374    HE1  PHE  53           HE2      PHE  53   5.552   6.705   3.145
  375    HE2  PHE  53           HE1      PHE  53   6.018   2.479   2.533
  376    HZ   PHE  53           HZ       PHE  53   6.124   4.799   1.666
  377    H    GLY  54           HN       GLY  54   3.137   1.603   7.779
  378   1HA   GLY  54           HA2      GLY  54   2.913   0.663   9.923
  379   2HA   GLY  54           HA1      GLY  54   2.674   2.269  10.571
  380    H    LYS  55           HN       LYS  55   1.059   0.326  11.423
  381    HA   LYS  55           HA       LYS  55  -1.445   0.286   9.900
  382   1HB   LYS  55           HB2      LYS  55  -2.081  -0.543  12.490
  383   2HB   LYS  55           HB1      LYS  55  -1.698  -1.598  11.132
  384   1HG   LYS  55           HG2      LYS  55   0.650  -1.632  11.764
  385   2HG   LYS  55           HG1      LYS  55   0.364  -0.438  13.031
  386   1HD   LYS  55           HD2      LYS  55  -1.179  -2.040  14.150
  387   2HD   LYS  55           HD1      LYS  55  -0.790  -3.240  12.916
  388   1HE   LYS  55           HE2      LYS  55   0.681  -3.768  14.687
  389   2HE   LYS  55           HE1      LYS  55   1.679  -2.824  13.581
  390   1HZ   LYS  55           HZ3      LYS  55   0.412  -1.011  15.243
  391   2HZ   LYS  55           HZ2      LYS  55   0.968  -2.256  16.257
  392   3HZ   LYS  55           HZ1      LYS  55   2.054  -1.432  15.242
  393    H    CYS  56           HN       CYS  56  -2.915   1.890   9.962
  394    HA   CYS  56           HA       CYS  56  -2.638   4.272  11.419
  395   1HB   CYS  56           HB2      CYS  56  -4.626   3.081   9.714
  396   2HB   CYS  56           HB1      CYS  56  -5.425   3.836  11.093
   
  No H/Q in entry =         396
  Start of MODEL          39
 Raw file had  401 H/Q atoms
  Start of MODEL   39
    1   1H    LEU   1           HT2      LEU   1  12.895   5.400   3.018
    2   2H    LEU   1           HT1      LEU   1  11.877   4.101   3.420
    3   3H    LEU   1           HT3      LEU   1  11.434   5.170   2.181
    4    HA   LEU   1           HA       LEU   1  10.134   5.814   3.995
    5   1HB   LEU   1           HB2      LEU   1  11.503   6.405   6.176
    6   2HB   LEU   1           HB1      LEU   1  11.009   4.742   5.866
    7    HG   LEU   1           HG       LEU   1  13.302   4.518   4.655
    8   1HD1  LEU   1          HD11      LEU   1  13.593   7.094   6.197
    9   2HD1  LEU   1          HD13      LEU   1  14.989   6.067   5.873
   10   3HD1  LEU   1          HD12      LEU   1  14.067   6.749   4.533
   11   1HD2  LEU   1          HD22      LEU   1  12.847   4.729   7.628
   12   2HD2  LEU   1          HD21      LEU   1  13.008   3.279   6.639
   13   3HD2  LEU   1          HD23      LEU   1  14.425   4.269   6.988
   14    H    ALA   2           HN       ALA   2  10.411   7.486   2.220
   15    HA   ALA   2           HA       ALA   2  11.847   9.860   3.333
   16   1HB   ALA   2           HB3      ALA   2  12.002   8.639   0.621
   17   2HB   ALA   2           HB2      ALA   2  11.957  10.400   0.700
   18   3HB   ALA   2           HB1      ALA   2  13.234   9.512   1.532
   19    H    ALA   3           HN       ALA   3   9.872   9.513   0.397
   20    HA   ALA   3           HA       ALA   3   8.216  11.774   1.260
   21   1HB   ALA   3           HB1      ALA   3   8.954  11.382  -1.130
   22   2HB   ALA   3           HB3      ALA   3   7.848  10.009  -1.175
   23   3HB   ALA   3           HB2      ALA   3   7.221  11.639  -0.932
   24    H    VAL   4           HN       VAL   4   5.766  11.539   1.083
   25    HA   VAL   4           HA       VAL   4   4.964   9.099   2.569
   26    HB   VAL   4           HB       VAL   4   2.763  10.452   2.767
   27   1HG1  VAL   4          HG12      VAL   4   4.991  10.304   4.329
   28   2HG1  VAL   4          HG11      VAL   4   4.902  12.044   4.052
   29   3HG1  VAL   4          HG13      VAL   4   3.537  11.195   4.779
   30   1HG2  VAL   4          HG21      VAL   4   3.509  11.995   0.857
   31   2HG2  VAL   4          HG23      VAL   4   2.865  12.789   2.295
   32   3HG2  VAL   4          HG22      VAL   4   4.607  12.732   2.023
   33    H    SER   5           HN       SER   5   5.191   7.832   0.502
   34    HA   SER   5           HA       SER   5   2.688   7.214  -0.645
   35   1HB   SER   5           HB2      SER   5   2.454   9.067  -1.981
   36   2HB   SER   5           HB1      SER   5   4.184   9.400  -1.999
   37    HG   SER   5           HG       SER   5   4.237   8.408  -3.840
   38    H    VAL   6           HN       VAL   6   2.980   5.156  -1.353
   39    HA   VAL   6           HA       VAL   6   5.743   4.275  -1.973
   40    HB   VAL   6           HB       VAL   6   3.222   2.623  -1.628
   41   1HG1  VAL   6          HG13      VAL   6   6.170   1.973  -1.834
   42   2HG1  VAL   6          HG12      VAL   6   5.005   0.846  -1.138
   43   3HG1  VAL   6          HG11      VAL   6   4.847   1.349  -2.821
   44   1HG2  VAL   6          HG21      VAL   6   3.946   3.997   0.387
   45   2HG2  VAL   6          HG23      VAL   6   3.921   2.253   0.643
   46   3HG2  VAL   6          HG22      VAL   6   5.454   3.083   0.370
   47    H    ASP   7           HN       ASP   7   5.922   2.653  -3.844
   48    HA   ASP   7           HA       ASP   7   4.478   3.803  -6.172
   49   1HB   ASP   7           HB2      ASP   7   7.044   3.520  -6.048
   50   2HB   ASP   7           HB1      ASP   7   6.734   1.803  -6.304
   51    H    CYS   8           HN       CYS   8   2.970   2.641  -7.287
   52    HA   CYS   8           HA       CYS   8   2.892  -0.305  -7.032
   53   1HB   CYS   8           HB2      CYS   8   0.371   1.266  -6.505
   54   2HB   CYS   8           HB1      CYS   8   0.700  -0.432  -6.159
   55    H    SER   9           HN       SER   9   3.587   1.145  -9.285
   56    HA   SER   9           HA       SER   9   1.174   1.436 -10.965
   57   1HB   SER   9           HB2      SER   9   3.243   2.979 -11.036
   58   2HB   SER   9           HB1      SER   9   4.038   1.662 -11.895
   59    HG   SER   9           HG       SER   9   3.020   3.136 -13.322
   60    H    GLU  10           HN       GLU  10   2.370  -1.210  -9.884
   61    HA   GLU  10           HA       GLU  10   2.277  -2.619 -12.516
   62   1HB   GLU  10           HB2      GLU  10   4.082  -4.083 -11.834
   63   2HB   GLU  10           HB1      GLU  10   4.627  -2.417 -11.648
   64   1HG   GLU  10           HG2      GLU  10   3.287  -3.448  -9.254
   65   2HG   GLU  10           HG1      GLU  10   4.738  -4.355  -9.678
   66    H    TYR  11           HN       TYR  11   0.783  -2.178  -9.665
   67    HA   TYR  11           HA       TYR  11   0.235  -4.945  -8.968
   68   1HB   TYR  11           HB2      TYR  11  -0.610  -2.238  -7.947
   69   2HB   TYR  11           HB1      TYR  11  -1.371  -3.704  -7.337
   70    HD1  TYR  11           HD2      TYR  11   1.860  -1.941  -7.761
   71    HD2  TYR  11           HD1      TYR  11  -0.177  -5.209  -5.860
   72    HE1  TYR  11           HE2      TYR  11   3.849  -2.351  -6.344
   73    HE2  TYR  11           HE1      TYR  11   1.823  -5.629  -4.443
   74    HH   TYR  11           HH       TYR  11   4.435  -3.393  -4.261
   75    HA   PRO  12           HA       PRO  12  -1.713  -5.433  -7.617
   76   1HB   PRO  12           HB2      PRO  12  -3.069  -7.803  -7.961
   77   2HB   PRO  12           HB1      PRO  12  -3.849  -6.290  -7.467
   78   1HG   PRO  12           HG2      PRO  12  -3.896  -7.644 -10.128
   79   2HG   PRO  12           HG1      PRO  12  -5.102  -6.576  -9.391
   80   1HD   PRO  12           HD2      PRO  12  -3.229  -5.818 -11.356
   81   2HD   PRO  12           HD1      PRO  12  -4.192  -4.729 -10.392
   82    H    LYS  13           HN       LYS  13  -0.586  -7.406  -6.868
   83    HA   LYS  13           HA       LYS  13   1.174  -8.530  -9.005
   84   1HB   LYS  13           HB2      LYS  13   1.732  -7.301  -6.478
   85   2HB   LYS  13           HB1      LYS  13   2.231  -8.989  -6.397
   86   1HG   LYS  13           HG2      LYS  13   3.249  -8.462  -8.787
   87   2HG   LYS  13           HG1      LYS  13   3.224  -6.804  -8.186
   88   1HD   LYS  13           HD2      LYS  13   5.334  -7.561  -7.493
   89   2HD   LYS  13           HD1      LYS  13   4.341  -7.813  -6.056
   90   1HE   LYS  13           HE2      LYS  13   4.298 -10.114  -6.318
   91   2HE   LYS  13           HE1      LYS  13   4.516 -10.025  -8.065
   92   1HZ   LYS  13           HZ2      LYS  13   6.772  -8.887  -6.967
   93   2HZ   LYS  13           HZ1      LYS  13   6.475 -10.273  -6.030
   94   3HZ   LYS  13           HZ3      LYS  13   6.655 -10.411  -7.711
   95    HA   PRO  14           HA       PRO  14  -0.588 -12.451  -7.991
   96   1HB   PRO  14           HB2      PRO  14   1.296 -14.015  -9.238
   97   2HB   PRO  14           HB1      PRO  14   0.041 -13.112 -10.105
   98   1HG   PRO  14           HG2      PRO  14   2.950 -12.513  -9.850
   99   2HG   PRO  14           HG1      PRO  14   1.823 -12.075 -11.144
  100   1HD   PRO  14           HD2      PRO  14   2.747 -10.352  -9.128
  101   2HD   PRO  14           HD1      PRO  14   1.365 -10.054 -10.166
  102    H    ALA  15           HN       ALA  15   1.787 -11.162  -6.316
  103    HA   ALA  15           HA       ALA  15   2.016 -13.396  -4.471
  104   1HB   ALA  15           HB1      ALA  15   4.034 -13.066  -6.506
  105   2HB   ALA  15           HB3      ALA  15   4.739 -12.772  -4.916
  106   3HB   ALA  15           HB2      ALA  15   3.924 -14.300  -5.251
  107    H    CYS  16           HN       CYS  16   1.539 -12.162  -2.695
  108    HA   CYS  16           HA       CYS  16   2.860  -9.518  -2.393
  109   1HB   CYS  16           HB2      CYS  16   0.634 -10.828  -0.796
  110   2HB   CYS  16           HB1      CYS  16   1.266  -9.208  -0.511
  111    H    THR  17           HN       THR  17   4.542  -9.259  -1.000
  112    HA   THR  17           HA       THR  17   5.886 -11.424   0.215
  113    HB   THR  17           HB       THR  17   7.073  -9.684   1.552
  114    HG1  THR  17           HG1      THR  17   5.502  -8.237   2.002
  115   1HG2  THR  17          HG21      THR  17   7.704 -10.141  -0.804
  116   2HG2  THR  17          HG23      THR  17   6.575  -8.894  -1.332
  117   3HG2  THR  17          HG22      THR  17   7.982  -8.456  -0.363
  118    H    LEU  18           HN       LEU  18   6.309 -11.270   2.793
  119    HA   LEU  18           HA       LEU  18   3.590 -11.399   4.028
  120   1HB   LEU  18           HB2      LEU  18   4.605 -12.990   5.647
  121   2HB   LEU  18           HB1      LEU  18   4.727 -13.570   3.986
  122    HG   LEU  18           HG       LEU  18   7.022 -11.971   4.457
  123   1HD1  LEU  18          HD12      LEU  18   6.315 -12.476   6.907
  124   2HD1  LEU  18          HD11      LEU  18   6.828 -14.127   6.557
  125   3HD1  LEU  18          HD13      LEU  18   7.985 -12.801   6.441
  126   1HD2  LEU  18          HD22      LEU  18   6.293 -14.726   3.743
  127   2HD2  LEU  18          HD21      LEU  18   7.571 -13.700   3.092
  128   3HD2  LEU  18          HD23      LEU  18   7.843 -14.613   4.576
  129    H    GLU  19           HN       GLU  19   6.649  -9.808   4.125
  130    HA   GLU  19           HA       GLU  19   7.008  -9.071   6.780
  131   1HB   GLU  19           HB2      GLU  19   7.213  -7.374   4.277
  132   2HB   GLU  19           HB1      GLU  19   7.720  -6.796   5.865
  133   1HG   GLU  19           HG2      GLU  19   9.672  -7.906   5.679
  134   2HG   GLU  19           HG1      GLU  19   8.804  -9.420   5.440
  135    H    TYR  20           HN       TYR  20   5.728  -8.058   8.272
  136    HA   TYR  20           HA       TYR  20   3.109  -7.079   7.367
  137   1HB   TYR  20           HB2      TYR  20   3.419  -8.517   9.422
  138   2HB   TYR  20           HB1      TYR  20   4.183  -7.127  10.194
  139    HD1  TYR  20           HD2      TYR  20   1.282  -7.272   7.830
  140    HD2  TYR  20           HD1      TYR  20   2.646  -6.355  11.800
  141    HE1  TYR  20           HE2      TYR  20  -0.952  -6.340   8.381
  142    HE2  TYR  20           HE1      TYR  20   0.415  -5.424  12.351
  143    HH   TYR  20           HH       TYR  20  -1.523  -4.462  11.151
  144    H    ARG  21           HN       ARG  21   4.053  -5.212   6.206
  145    HA   ARG  21           HA       ARG  21   4.706  -2.952   8.060
  146   1HB   ARG  21           HB2      ARG  21   5.155  -2.922   5.069
  147   2HB   ARG  21           HB1      ARG  21   5.928  -1.926   6.304
  148   1HG   ARG  21           HG2      ARG  21   6.410  -4.705   6.881
  149   2HG   ARG  21           HG1      ARG  21   6.879  -4.363   5.216
  150   1HD   ARG  21           HD2      ARG  21   8.642  -3.093   5.861
  151   2HD   ARG  21           HD1      ARG  21   7.692  -2.260   7.092
  152    HE   ARG  21           HE       ARG  21   8.046  -4.569   8.363
  153   1HH1  ARG  21          HH11      ARG  21  10.006  -6.083   7.695
  154   2HH1  ARG  21          HH12      ARG  21  11.521  -5.263   7.871
  155   1HH2  ARG  21          HH21      ARG  21  10.096  -2.102   7.992
  156   2HH2  ARG  21          HH22      ARG  21  11.572  -3.008   8.039
  157    HA   PRO  22           HA       PRO  22   0.405  -2.489   6.620
  158   1HB   PRO  22           HB2      PRO  22  -0.383  -1.099   8.872
  159   2HB   PRO  22           HB1      PRO  22  -0.408  -2.867   8.720
  160   1HG   PRO  22           HG2      PRO  22   1.570  -1.121  10.145
  161   2HG   PRO  22           HG1      PRO  22   1.024  -2.759  10.547
  162   1HD   PRO  22           HD2      PRO  22   3.455  -2.198   9.324
  163   2HD   PRO  22           HD1      PRO  22   2.609  -3.756   9.192
  164    H    LEU  23           HN       LEU  23   0.017  -0.932   5.158
  165    HA   LEU  23           HA       LEU  23   1.119   1.793   5.676
  166   1HB   LEU  23           HB2      LEU  23   0.100   0.634   3.070
  167   2HB   LEU  23           HB1      LEU  23   1.044   2.111   3.286
  168    HG   LEU  23           HG       LEU  23   2.330  -0.196   4.517
  169   1HD1  LEU  23          HD12      LEU  23   1.734  -0.250   1.552
  170   2HD1  LEU  23          HD11      LEU  23   2.992  -1.218   2.320
  171   3HD1  LEU  23          HD13      LEU  23   1.301  -1.470   2.748
  172   1HD2  LEU  23          HD23      LEU  23   3.137   1.777   2.362
  173   2HD2  LEU  23          HD22      LEU  23   3.445   1.940   4.090
  174   3HD2  LEU  23          HD21      LEU  23   4.234   0.659   3.171
  175    H    CYS  24           HN       CYS  24  -0.343   3.291   6.290
  176    HA   CYS  24           HA       CYS  24  -3.203   2.686   6.201
  177   1HB   CYS  24           HB2      CYS  24  -2.654   3.919   8.117
  178   2HB   CYS  24           HB1      CYS  24  -1.508   4.923   7.272
  179    H    GLY  25           HN       GLY  25  -4.626   3.378   4.665
  180   1HA   GLY  25           HA2      GLY  25  -3.762   4.544   2.184
  181   2HA   GLY  25           HA1      GLY  25  -5.361   4.381   2.712
  182    H    SER  26           HN       SER  26  -5.150   6.770   1.532
  183    HA   SER  26           HA       SER  26  -4.346   8.721   3.624
  184   1HB   SER  26           HB2      SER  26  -3.673   9.342   1.415
  185   2HB   SER  26           HB1      SER  26  -5.281   9.047   0.768
  186    HG   SER  26           HG       SER  26  -5.030  11.243   1.115
  187    H    ASP  27           HN       ASP  27  -6.934   6.858   3.260
  188    HA   ASP  27           HA       ASP  27  -8.857   9.015   4.037
  189   1HB   ASP  27           HB2      ASP  27 -10.589   7.200   3.400
  190   2HB   ASP  27           HB1      ASP  27  -9.733   8.001   2.081
  191    H    ASN  28           HN       ASN  28  -7.462   5.919   4.806
  192    HA   ASN  28           HA       ASN  28  -7.208   5.600   7.346
  193   1HB   ASN  28           HB2      ASN  28  -9.275   5.244   8.592
  194   2HB   ASN  28           HB1      ASN  28  -9.282   6.866   7.918
  195   1HD2  ASN  28          HD22      ASN  28 -12.482   4.818   7.180
  196   2HD2  ASN  28          HD21      ASN  28 -11.554   4.888   8.600
  197    H    LYS  29           HN       LYS  29  -7.113   4.097   4.845
  198    HA   LYS  29           HA       LYS  29  -8.436   1.558   5.696
  199   1HB   LYS  29           HB2      LYS  29  -8.604   2.812   3.276
  200   2HB   LYS  29           HB1      LYS  29  -7.257   1.710   2.994
  201   1HG   LYS  29           HG2      LYS  29  -8.561  -0.195   3.406
  202   2HG   LYS  29           HG1      LYS  29  -9.767   0.714   4.318
  203   1HD   LYS  29           HD2      LYS  29 -10.594   1.768   2.307
  204   2HD   LYS  29           HD1      LYS  29  -9.280   1.083   1.351
  205   1HE   LYS  29           HE2      LYS  29 -11.310  -0.234   1.007
  206   2HE   LYS  29           HE1      LYS  29 -10.123  -1.199   1.883
  207   1HZ   LYS  29           HZ2      LYS  29 -11.235  -0.517   3.960
  208   2HZ   LYS  29           HZ1      LYS  29 -12.436   0.254   3.040
  209   3HZ   LYS  29           HZ3      LYS  29 -12.240  -1.427   2.937
  210    H    THR  30           HN       THR  30  -6.873   0.674   7.045
  211    HA   THR  30           HA       THR  30  -4.034   0.751   6.427
  212    HB   THR  30           HB       THR  30  -5.701  -0.787   8.432
  213    HG1  THR  30           HG1      THR  30  -5.174   0.813   9.670
  214   1HG2  THR  30          HG21      THR  30  -2.799  -1.055   7.714
  215   2HG2  THR  30          HG23      THR  30  -3.289  -1.236   9.398
  216   3HG2  THR  30          HG22      THR  30  -3.955  -2.307   8.166
  217    H    TYR  31           HN       TYR  31  -2.838  -0.763   5.319
  218    HA   TYR  31           HA       TYR  31  -4.258  -3.237   4.416
  219   1HB   TYR  31           HB2      TYR  31  -2.387  -1.386   2.962
  220   2HB   TYR  31           HB1      TYR  31  -2.515  -3.074   2.478
  221    HD1  TYR  31           HD1      TYR  31  -4.444   0.073   2.949
  222    HD2  TYR  31           HD2      TYR  31  -4.459  -3.910   1.349
  223    HE1  TYR  31           HE1      TYR  31  -6.554   0.560   1.744
  224    HE2  TYR  31           HE2      TYR  31  -6.568  -3.423   0.149
  225    HH   TYR  31           HH       TYR  31  -7.971  -1.777  -0.500
  226    H    GLY  32           HN       GLY  32  -3.079  -5.171   4.597
  227   1HA   GLY  32           HA2      GLY  32  -1.339  -5.462   6.718
  228   2HA   GLY  32           HA1      GLY  32  -1.373  -6.597   5.385
  229    H    ASN  33           HN       ASN  33  -0.280  -5.099   3.293
  230    HA   ASN  33           HA       ASN  33   2.175  -3.853   4.338
  231   1HB   ASN  33           HB2      ASN  33   3.666  -5.405   3.075
  232   2HB   ASN  33           HB1      ASN  33   2.810  -6.179   4.384
  233   1HD2  ASN  33          HD22      ASN  33   2.379  -8.442   1.523
  234   2HD2  ASN  33          HD21      ASN  33   3.623  -7.964   2.573
  235    H    LYS  34           HN       LYS  34   3.700  -3.939   2.042
  236    HA   LYS  34           HA       LYS  34   2.595  -1.814   0.532
  237   1HB   LYS  34           HB2      LYS  34   4.556  -2.453  -1.011
  238   2HB   LYS  34           HB1      LYS  34   4.946  -1.942   0.621
  239   1HG   LYS  34           HG2      LYS  34   5.714  -4.004   1.198
  240   2HG   LYS  34           HG1      LYS  34   4.417  -4.833   0.333
  241   1HD   LYS  34           HD2      LYS  34   6.724  -3.480  -1.087
  242   2HD   LYS  34           HD1      LYS  34   6.765  -5.176  -0.606
  243   1HE   LYS  34           HE2      LYS  34   4.268  -4.655  -1.919
  244   2HE   LYS  34           HE1      LYS  34   5.577  -4.056  -2.936
  245   1HZ   LYS  34           HZ3      LYS  34   6.173  -6.594  -1.761
  246   2HZ   LYS  34           HZ2      LYS  34   4.773  -6.648  -2.721
  247   3HZ   LYS  34           HZ1      LYS  34   6.243  -6.114  -3.386
  248    H    CYS  35           HN       CYS  35   2.522  -5.316  -0.011
  249    HA   CYS  35           HA       CYS  35   1.692  -5.017  -2.762
  250   1HB   CYS  35           HB2      CYS  35   2.833  -7.068  -1.890
  251   2HB   CYS  35           HB1      CYS  35   1.382  -7.423  -0.953
  252    H    ASN  36           HN       ASN  36   0.037  -5.593   0.321
  253    HA   ASN  36           HA       ASN  36  -2.583  -5.815  -0.912
  254   1HB   ASN  36           HB2      ASN  36  -1.519  -5.596   1.877
  255   2HB   ASN  36           HB1      ASN  36  -3.221  -5.238   1.606
  256   1HD2  ASN  36          HD22      ASN  36  -1.891  -9.077   1.319
  257   2HD2  ASN  36          HD21      ASN  36  -0.803  -7.796   1.544
  258    H    PHE  37           HN       PHE  37  -0.567  -3.221   0.254
  259    HA   PHE  37           HA       PHE  37  -2.715  -1.218   0.245
  260   1HB   PHE  37           HB2      PHE  37  -0.613  -1.181   1.667
  261   2HB   PHE  37           HB1      PHE  37   0.260  -0.657   0.324
  262    HD1  PHE  37           HD1      PHE  37  -2.691   0.335   2.364
  263    HD2  PHE  37           HD2      PHE  37   0.257   1.389  -0.537
  264    HE1  PHE  37           HE1      PHE  37  -3.457   2.691   2.472
  265    HE2  PHE  37           HE2      PHE  37  -0.471   3.740  -0.461
  266    HZ   PHE  37           HZ       PHE  37  -2.318   4.414   1.056
  267    H    CYS  38           HN       CYS  38  -0.190  -2.368  -1.731
  268    HA   CYS  38           HA       CYS  38  -0.368  -0.182  -3.664
  269   1HB   CYS  38           HB2      CYS  38   1.070  -2.820  -3.591
  270   2HB   CYS  38           HB1      CYS  38   0.847  -2.015  -5.136
  271    H    ASN  39           HN       ASN  39  -1.837  -3.333  -3.209
  272    HA   ASN  39           HA       ASN  39  -3.017  -3.576  -5.821
  273   1HB   ASN  39           HB2      ASN  39  -3.746  -4.660  -3.088
  274   2HB   ASN  39           HB1      ASN  39  -4.754  -4.976  -4.499
  275   1HD2  ASN  39          HD22      ASN  39  -2.096  -7.661  -4.091
  276   2HD2  ASN  39          HD21      ASN  39  -3.210  -6.995  -2.998
  277    H    ALA  40           HN       ALA  40  -4.245  -2.310  -2.723
  278    HA   ALA  40           HA       ALA  40  -6.744  -1.358  -3.686
  279   1HB   ALA  40           HB2      ALA  40  -5.752  -1.522  -1.254
  280   2HB   ALA  40           HB1      ALA  40  -5.210   0.123  -1.573
  281   3HB   ALA  40           HB3      ALA  40  -6.929  -0.264  -1.631
  282    H    VAL  41           HN       VAL  41  -3.496  -0.089  -3.956
  283    HA   VAL  41           HA       VAL  41  -4.289   2.616  -4.682
  284    HB   VAL  41           HB       VAL  41  -1.709   1.068  -5.015
  285   1HG1  VAL  41          HG12      VAL  41  -2.489   3.857  -5.842
  286   2HG1  VAL  41          HG11      VAL  41  -0.825   3.500  -5.380
  287   3HG1  VAL  41          HG13      VAL  41  -1.564   2.653  -6.739
  288   1HG2  VAL  41          HG21      VAL  41  -2.880   2.192  -2.772
  289   2HG2  VAL  41          HG23      VAL  41  -1.160   1.856  -2.961
  290   3HG2  VAL  41          HG22      VAL  41  -1.790   3.464  -3.321
  291    H    VAL  42           HN       VAL  42  -3.356  -0.299  -6.494
  292    HA   VAL  42           HA       VAL  42  -3.608   1.066  -9.046
  293    HB   VAL  42           HB       VAL  42  -1.946  -0.659  -8.851
  294   1HG1  VAL  42          HG13      VAL  42  -4.193  -2.164  -7.610
  295   2HG1  VAL  42          HG12      VAL  42  -3.037  -3.093  -8.563
  296   3HG1  VAL  42          HG11      VAL  42  -2.483  -2.144  -7.186
  297   1HG2  VAL  42          HG22      VAL  42  -3.942  -0.623 -10.785
  298   2HG2  VAL  42          HG21      VAL  42  -2.374  -1.418 -10.915
  299   3HG2  VAL  42          HG23      VAL  42  -3.779  -2.326 -10.358
  300    H    GLU  43           HN       GLU  43  -5.791  -0.496  -6.894
  301    HA   GLU  43           HA       GLU  43  -7.684  -1.191  -9.035
  302   1HB   GLU  43           HB2      GLU  43  -9.093  -1.815  -7.011
  303   2HB   GLU  43           HB1      GLU  43  -7.669  -2.781  -7.222
  304   1HG   GLU  43           HG2      GLU  43  -6.980  -2.178  -5.211
  305   2HG   GLU  43           HG1      GLU  43  -7.041  -0.475  -5.668
  306    H    SER  44           HN       SER  44  -6.890   1.348  -6.854
  307    HA   SER  44           HA       SER  44  -9.554   2.639  -7.216
  308   1HB   SER  44           HB2      SER  44  -8.676   4.245  -5.484
  309   2HB   SER  44           HB1      SER  44  -8.780   2.580  -4.921
  310    HG   SER  44           HG       SER  44  -6.745   3.790  -4.529
  311    H    ASN  45           HN       ASN  45  -6.452   2.617  -8.539
  312    HA   ASN  45           HA       ASN  45  -5.665   3.879 -10.361
  313   1HB   ASN  45           HB2      ASN  45  -7.020   5.362 -11.439
  314   2HB   ASN  45           HB1      ASN  45  -8.252   4.660 -10.402
  315   1HD2  ASN  45          HD22      ASN  45  -8.271   8.445 -10.155
  316   2HD2  ASN  45          HD21      ASN  45  -8.331   7.378 -11.475
  317    H    GLY  46           HN       GLY  46  -5.648   4.506  -7.171
  318   1HA   GLY  46           HA2      GLY  46  -3.662   5.483  -6.164
  319   2HA   GLY  46           HA1      GLY  46  -3.558   6.603  -7.510
  320    H    THR  47           HN       THR  47  -6.744   6.184  -6.441
  321    HA   THR  47           HA       THR  47  -6.790   8.899  -5.313
  322    HB   THR  47           HB       THR  47  -9.215   8.448  -4.984
  323    HG1  THR  47           HG1      THR  47 -10.019   6.457  -5.572
  324   1HG2  THR  47          HG23      THR  47  -7.775   8.557  -7.427
  325   2HG2  THR  47          HG22      THR  47  -9.102   7.418  -7.656
  326   3HG2  THR  47          HG21      THR  47  -9.437   9.067  -7.126
  327    H    LEU  48           HN       LEU  48  -6.185   5.784  -4.171
  328    HA   LEU  48           HA       LEU  48  -7.221   6.111  -1.473
  329   1HB   LEU  48           HB2      LEU  48  -7.101   3.866  -2.054
  330   2HB   LEU  48           HB1      LEU  48  -5.624   4.086  -2.986
  331    HG   LEU  48           HG       LEU  48  -4.331   4.326  -0.906
  332   1HD1  LEU  48          HD12      LEU  48  -7.010   4.626   0.186
  333   2HD1  LEU  48          HD11      LEU  48  -6.071   3.425   1.072
  334   3HD1  LEU  48          HD13      LEU  48  -5.458   5.068   0.893
  335   1HD2  LEU  48          HD22      LEU  48  -4.703   2.067  -1.852
  336   2HD2  LEU  48          HD21      LEU  48  -4.590   2.015  -0.093
  337   3HD2  LEU  48          HD23      LEU  48  -6.166   1.910  -0.879
  338    H    THR  49           HN       THR  49  -3.915   5.609  -2.597
  339    HA   THR  49           HA       THR  49  -1.875   6.437  -1.840
  340    HB   THR  49           HB       THR  49  -1.773   8.764  -1.532
  341    HG1  THR  49           HG1      THR  49  -3.325   9.913  -0.547
  342   1HG2  THR  49          HG21      THR  49  -4.270   8.119  -3.107
  343   2HG2  THR  49          HG23      THR  49  -3.512   9.712  -3.097
  344   3HG2  THR  49          HG22      THR  49  -2.634   8.322  -3.734
  345    H    LEU  50           HN       LEU  50  -0.850   7.312   0.363
  346    HA   LEU  50           HA       LEU  50  -2.440   6.110   2.562
  347   1HB   LEU  50           HB2      LEU  50  -0.797   4.575   2.628
  348   2HB   LEU  50           HB1      LEU  50   0.147   5.466   1.448
  349    HG   LEU  50           HG       LEU  50   0.150   6.528   4.232
  350   1HD1  LEU  50          HD12      LEU  50   0.263   4.078   4.478
  351   2HD1  LEU  50          HD11      LEU  50   1.631   4.053   3.365
  352   3HD1  LEU  50          HD13      LEU  50   1.777   4.867   4.923
  353   1HD2  LEU  50          HD22      LEU  50   1.642   6.780   1.796
  354   2HD2  LEU  50          HD21      LEU  50   1.895   7.642   3.314
  355   3HD2  LEU  50          HD23      LEU  50   2.713   6.106   3.025
  356    H    SER  51           HN       SER  51  -1.976   6.947   4.703
  357    HA   SER  51           HA       SER  51  -1.536   9.819   4.679
  358   1HB   SER  51           HB2      SER  51  -2.692   9.739   6.655
  359   2HB   SER  51           HB1      SER  51  -3.545   8.518   5.848
  360    HG   SER  51           HG       SER  51  -2.494   8.356   8.131
  361    H    HIS  52           HN       HIS  52  -0.612   6.987   6.605
  362    HA   HIS  52           HA       HIS  52   2.114   8.103   6.984
  363   1HB   HIS  52           HB2      HIS  52   2.034   7.707   9.364
  364   2HB   HIS  52           HB1      HIS  52   0.588   8.638   8.965
  365    HD1  HIS  52           HD1      HIS  52   1.591   5.623  10.680
  366    HD2  HIS  52           HD2      HIS  52  -1.730   6.713   8.419
  367    HE1  HIS  52           HE1      HIS  52  -0.220   3.916  11.155
  368    H    PHE  53           HN       PHE  53   3.687   6.377   7.480
  369    HA   PHE  53           HA       PHE  53   2.904   3.817   6.306
  370   1HB   PHE  53           HB2      PHE  53   5.480   4.789   7.564
  371   2HB   PHE  53           HB1      PHE  53   5.260   3.167   6.902
  372    HD1  PHE  53           HD2      PHE  53   5.106   6.786   6.050
  373    HD2  PHE  53           HD1      PHE  53   5.355   2.766   4.561
  374    HE1  PHE  53           HE2      PHE  53   5.518   7.658   3.768
  375    HE2  PHE  53           HE1      PHE  53   5.767   3.636   2.276
  376    HZ   PHE  53           HZ       PHE  53   5.849   6.085   1.878
  377    H    GLY  54           HN       GLY  54   1.699   2.491   7.543
  378   1HA   GLY  54           HA2      GLY  54   2.387   0.991   9.658
  379   2HA   GLY  54           HA1      GLY  54   1.956   2.504  10.459
  380    H    LYS  55           HN       LYS  55   0.355   0.724  11.267
  381    HA   LYS  55           HA       LYS  55  -1.927   0.265   9.472
  382   1HB   LYS  55           HB2      LYS  55  -2.783  -0.459  12.014
  383   2HB   LYS  55           HB1      LYS  55  -2.097  -1.552  10.814
  384   1HG   LYS  55           HG2      LYS  55   0.145  -1.190  11.741
  385   2HG   LYS  55           HG1      LYS  55  -0.501  -0.026  12.898
  386   1HD   LYS  55           HD2      LYS  55  -1.675  -2.785  12.809
  387   2HD   LYS  55           HD1      LYS  55  -0.130  -2.537  13.621
  388   1HE   LYS  55           HE2      LYS  55  -1.857  -0.425  14.434
  389   2HE   LYS  55           HE1      LYS  55  -2.761  -1.932  14.588
  390   1HZ   LYS  55           HZ3      LYS  55  -0.211  -2.453  15.515
  391   2HZ   LYS  55           HZ2      LYS  55  -0.646  -0.957  16.190
  392   3HZ   LYS  55           HZ1      LYS  55  -1.631  -2.319  16.434
  393    H    CYS  56           HN       CYS  56  -2.974   2.184   9.067
  394    HA   CYS  56           HA       CYS  56  -3.322   4.438  10.608
  395   1HB   CYS  56           HB2      CYS  56  -4.594   3.344   8.345
  396   2HB   CYS  56           HB1      CYS  56  -5.893   3.718   9.477
   
  No H/Q in entry =         396
  Start of MODEL          40
 Raw file had  401 H/Q atoms
  Start of MODEL   40
    1   1H    LEU   1           HT3      LEU   1   4.622  14.191   4.208
    2   2H    LEU   1           HT2      LEU   1   4.496  15.379   5.416
    3   3H    LEU   1           HT1      LEU   1   3.880  15.676   3.860
    4    HA   LEU   1           HA       LEU   1   5.801  16.548   3.247
    5   1HB   LEU   1           HB2      LEU   1   6.194  16.000   6.106
    6   2HB   LEU   1           HB1      LEU   1   7.703  16.080   5.196
    7    HG   LEU   1           HG       LEU   1   6.908  18.249   4.200
    8   1HD1  LEU   1          HD12      LEU   1   4.491  17.436   5.509
    9   2HD1  LEU   1          HD11      LEU   1   5.027  18.957   6.221
   10   3HD1  LEU   1          HD13      LEU   1   4.758  18.844   4.482
   11   1HD2  LEU   1          HD23      LEU   1   7.885  17.704   6.836
   12   2HD2  LEU   1          HD22      LEU   1   8.177  19.129   5.839
   13   3HD2  LEU   1          HD21      LEU   1   6.792  19.085   6.930
   14    H    ALA   2           HN       ALA   2   7.874  15.957   2.304
   15    HA   ALA   2           HA       ALA   2   9.328  14.450   1.247
   16   1HB   ALA   2           HB1      ALA   2   9.961  13.899   3.580
   17   2HB   ALA   2           HB3      ALA   2   8.660  12.711   3.644
   18   3HB   ALA   2           HB2      ALA   2  10.018  12.474   2.542
   19    H    ALA   3           HN       ALA   3   9.317  11.916   0.563
   20    HA   ALA   3           HA       ALA   3   7.075  11.557  -1.129
   21   1HB   ALA   3           HB2      ALA   3   9.485  10.161  -0.564
   22   2HB   ALA   3           HB1      ALA   3   8.170   8.992  -0.426
   23   3HB   ALA   3           HB3      ALA   3   8.385   9.908  -1.919
   24    H    VAL   4           HN       VAL   4   5.009  11.058  -0.602
   25    HA   VAL   4           HA       VAL   4   4.551   9.503   1.915
   26    HB   VAL   4           HB       VAL   4   3.690  11.836   2.006
   27   1HG1  VAL   4          HG13      VAL   4   3.144  11.527  -0.632
   28   2HG1  VAL   4          HG12      VAL   4   1.547  11.216   0.048
   29   3HG1  VAL   4          HG11      VAL   4   2.364  12.744   0.377
   30   1HG2  VAL   4          HG21      VAL   4   2.477   9.639   2.915
   31   2HG2  VAL   4          HG23      VAL   4   1.711  11.222   3.046
   32   3HG2  VAL   4          HG22      VAL   4   1.247  10.123   1.747
   33    H    SER   5           HN       SER   5   4.968   7.732   0.175
   34    HA   SER   5           HA       SER   5   2.377   6.603  -0.522
   35   1HB   SER   5           HB2      SER   5   3.350   8.277  -2.444
   36   2HB   SER   5           HB1      SER   5   4.103   6.758  -2.925
   37    HG   SER   5           HG       SER   5   1.975   7.114  -3.810
   38    H    VAL   6           HN       VAL   6   2.682   4.376  -1.461
   39    HA   VAL   6           HA       VAL   6   5.218   3.233  -0.423
   40    HB   VAL   6           HB       VAL   6   2.585   1.916  -1.095
   41   1HG1  VAL   6          HG13      VAL   6   5.247   0.850  -0.600
   42   2HG1  VAL   6          HG12      VAL   6   4.092   0.272   0.601
   43   3HG1  VAL   6          HG11      VAL   6   3.786   0.004  -1.115
   44   1HG2  VAL   6          HG22      VAL   6   3.893   2.661   1.538
   45   2HG2  VAL   6          HG21      VAL   6   2.400   3.328   0.878
   46   3HG2  VAL   6          HG23      VAL   6   2.459   1.647   1.401
   47    H    ASP   7           HN       ASP   7   4.387   4.435  -3.156
   48    HA   ASP   7           HA       ASP   7   4.910   4.070  -5.418
   49   1HB   ASP   7           HB2      ASP   7   7.177   3.962  -4.388
   50   2HB   ASP   7           HB1      ASP   7   6.981   2.219  -4.202
   51    H    CYS   8           HN       CYS   8   3.440   2.945  -6.612
   52    HA   CYS   8           HA       CYS   8   3.533  -0.022  -6.439
   53   1HB   CYS   8           HB2      CYS   8   0.920   1.486  -6.668
   54   2HB   CYS   8           HB1      CYS   8   1.154  -0.230  -6.343
   55    H    SER   9           HN       SER   9   4.849   1.270  -8.417
   56    HA   SER   9           HA       SER   9   3.079   1.621 -10.741
   57   1HB   SER   9           HB2      SER   9   5.745   2.416 -10.026
   58   2HB   SER   9           HB1      SER   9   5.800   1.535 -11.549
   59    HG   SER   9           HG       SER   9   4.696   3.082 -12.484
   60    H    GLU  10           HN       GLU  10   3.859  -1.040  -9.226
   61    HA   GLU  10           HA       GLU  10   4.337  -2.594 -11.742
   62   1HB   GLU  10           HB2      GLU  10   5.615  -4.208 -10.475
   63   2HB   GLU  10           HB1      GLU  10   6.273  -2.612 -10.112
   64   1HG   GLU  10           HG2      GLU  10   4.098  -3.218  -8.304
   65   2HG   GLU  10           HG1      GLU  10   5.300  -4.509  -8.261
   66    H    TYR  11           HN       TYR  11   2.179  -1.883  -9.308
   67    HA   TYR  11           HA       TYR  11   0.995  -4.528  -9.013
   68   1HB   TYR  11           HB2      TYR  11   0.329  -1.739  -8.048
   69   2HB   TYR  11           HB1      TYR  11  -0.680  -3.126  -7.662
   70    HD1  TYR  11           HD1      TYR  11   0.313  -5.083  -6.410
   71    HD2  TYR  11           HD2      TYR  11   2.440  -1.408  -7.009
   72    HE1  TYR  11           HE1      TYR  11   1.924  -5.725  -4.631
   73    HE2  TYR  11           HE2      TYR  11   4.040  -2.033  -5.220
   74    HH   TYR  11           HH       TYR  11   4.851  -4.319  -4.211
   75    HA   PRO  12           HA       PRO  12  -1.204  -4.689  -8.236
   76   1HB   PRO  12           HB2      PRO  12  -3.169  -6.449  -9.021
   77   2HB   PRO  12           HB1      PRO  12  -3.490  -4.786  -8.505
   78   1HG   PRO  12           HG2      PRO  12  -3.623  -5.942 -11.224
   79   2HG   PRO  12           HG1      PRO  12  -4.343  -4.444 -10.613
   80   1HD   PRO  12           HD2      PRO  12  -1.948  -4.736 -12.160
   81   2HD   PRO  12           HD1      PRO  12  -2.634  -3.230 -11.579
   82    H    LYS  13           HN       LYS  13  -0.651  -6.799  -7.452
   83    HA   LYS  13           HA       LYS  13   0.706  -8.534  -9.476
   84   1HB   LYS  13           HB2      LYS  13   1.570  -7.421  -6.894
   85   2HB   LYS  13           HB1      LYS  13   1.859  -9.151  -7.054
   86   1HG   LYS  13           HG2      LYS  13   2.949  -8.705  -9.271
   87   2HG   LYS  13           HG1      LYS  13   2.772  -6.978  -8.956
   88   1HD   LYS  13           HD2      LYS  13   4.824  -7.163  -7.998
   89   2HD   LYS  13           HD1      LYS  13   3.934  -7.829  -6.629
   90   1HE   LYS  13           HE2      LYS  13   5.584  -9.457  -7.040
   91   2HE   LYS  13           HE1      LYS  13   4.166 -10.104  -7.866
   92   1HZ   LYS  13           HZ1      LYS  13   5.577  -8.353  -9.577
   93   2HZ   LYS  13           HZ3      LYS  13   6.639  -9.527  -8.968
   94   3HZ   LYS  13           HZ2      LYS  13   5.230 -10.003  -9.789
   95    HA   PRO  14           HA       PRO  14  -2.066 -11.652  -7.992
   96   1HB   PRO  14           HB2      PRO  14  -0.857 -13.785  -9.232
   97   2HB   PRO  14           HB1      PRO  14  -1.873 -12.605 -10.079
   98   1HG   PRO  14           HG2      PRO  14   1.091 -12.899 -10.115
   99   2HG   PRO  14           HG1      PRO  14   0.020 -12.209 -11.343
  100   1HD   PRO  14           HD2      PRO  14   1.619 -10.754  -9.545
  101   2HD   PRO  14           HD1      PRO  14   0.317 -10.095 -10.508
  102    H    ALA  15           HN       ALA  15   0.733 -11.023  -6.639
  103    HA   ALA  15           HA       ALA  15   0.528 -13.210  -4.694
  104   1HB   ALA  15           HB3      ALA  15   2.773 -12.980  -6.653
  105   2HB   ALA  15           HB2      ALA  15   3.181 -13.413  -4.992
  106   3HB   ALA  15           HB1      ALA  15   2.069 -14.420  -5.919
  107    H    CYS  16           HN       CYS  16   1.150 -12.473  -2.670
  108    HA   CYS  16           HA       CYS  16   2.584  -9.848  -2.592
  109   1HB   CYS  16           HB2      CYS  16   0.300 -10.786  -0.826
  110   2HB   CYS  16           HB1      CYS  16   1.238  -9.320  -0.553
  111    H    THR  17           HN       THR  17   4.242  -9.691  -1.097
  112    HA   THR  17           HA       THR  17   5.468 -12.053  -0.105
  113    HB   THR  17           HB       THR  17   6.921 -10.577   1.167
  114    HG1  THR  17           HG1      THR  17   5.468  -9.221   2.115
  115   1HG2  THR  17          HG23      THR  17   6.076  -9.804  -1.580
  116   2HG2  THR  17          HG22      THR  17   7.119  -8.672  -0.718
  117   3HG2  THR  17          HG21      THR  17   7.654 -10.330  -0.992
  118    H    LEU  18           HN       LEU  18   6.001 -11.681   2.593
  119    HA   LEU  18           HA       LEU  18   3.277 -11.802   3.817
  120   1HB   LEU  18           HB2      LEU  18   4.061 -13.621   5.266
  121   2HB   LEU  18           HB1      LEU  18   4.253 -14.067   3.571
  122    HG   LEU  18           HG       LEU  18   6.646 -12.804   4.137
  123   1HD1  LEU  18          HD11      LEU  18   5.543 -14.139   6.584
  124   2HD1  LEU  18          HD13      LEU  18   7.268 -14.279   6.249
  125   3HD1  LEU  18          HD12      LEU  18   6.536 -12.687   6.456
  126   1HD2  LEU  18          HD23      LEU  18   5.692 -15.349   3.363
  127   2HD2  LEU  18          HD22      LEU  18   7.350 -14.757   3.253
  128   3HD2  LEU  18          HD21      LEU  18   6.822 -15.640   4.686
  129    H    GLU  19           HN       GLU  19   6.425 -10.452   3.934
  130    HA   GLU  19           HA       GLU  19   6.862  -9.964   6.660
  131   1HB   GLU  19           HB2      GLU  19   7.726  -7.647   5.777
  132   2HB   GLU  19           HB1      GLU  19   8.543  -9.121   5.255
  133   1HG   GLU  19           HG2      GLU  19   6.233  -8.351   3.588
  134   2HG   GLU  19           HG1      GLU  19   7.579  -7.211   3.547
  135    H    TYR  20           HN       TYR  20   6.236  -8.072   7.998
  136    HA   TYR  20           HA       TYR  20   3.451  -7.265   7.349
  137   1HB   TYR  20           HB2      TYR  20   4.016  -8.318   9.586
  138   2HB   TYR  20           HB1      TYR  20   4.917  -6.847   9.964
  139    HD1  TYR  20           HD2      TYR  20   1.713  -7.306   8.089
  140    HD2  TYR  20           HD1      TYR  20   3.641  -5.690  11.570
  141    HE1  TYR  20           HE2      TYR  20  -0.398  -6.176   8.729
  142    HE2  TYR  20           HE1      TYR  20   1.528  -4.557  12.211
  143    HH   TYR  20           HH       TYR  20  -1.144  -4.305  10.072
  144    H    ARG  21           HN       ARG  21   3.225  -5.358   6.376
  145    HA   ARG  21           HA       ARG  21   4.804  -3.033   7.347
  146   1HB   ARG  21           HB2      ARG  21   4.465  -3.840   4.437
  147   2HB   ARG  21           HB1      ARG  21   5.102  -2.284   4.970
  148   1HG   ARG  21           HG2      ARG  21   6.607  -4.089   6.430
  149   2HG   ARG  21           HG1      ARG  21   6.421  -4.902   4.875
  150   1HD   ARG  21           HD2      ARG  21   7.748  -3.404   3.806
  151   2HD   ARG  21           HD1      ARG  21   7.015  -2.032   4.637
  152    HE   ARG  21           HE       ARG  21   8.902  -3.716   6.188
  153   1HH1  ARG  21          HH21      ARG  21   7.906  -0.924   6.922
  154   2HH1  ARG  21          HH22      ARG  21   9.298   0.037   6.545
  155   1HH2  ARG  21          HH11      ARG  21  10.818  -2.436   4.646
  156   2HH2  ARG  21          HH12      ARG  21  10.948  -0.822   5.261
  157    HA   PRO  22           HA       PRO  22   0.275  -2.380   7.090
  158   1HB   PRO  22           HB2      PRO  22   0.182  -0.871   9.400
  159   2HB   PRO  22           HB1      PRO  22   0.009  -2.641   9.344
  160   1HG   PRO  22           HG2      PRO  22   2.385  -1.000  10.150
  161   2HG   PRO  22           HG1      PRO  22   1.867  -2.591  10.737
  162   1HD   PRO  22           HD2      PRO  22   3.931  -2.194   8.907
  163   2HD   PRO  22           HD1      PRO  22   3.025  -3.714   9.084
  164    H    LEU  23           HN       LEU  23   0.215  -0.939   5.322
  165    HA   LEU  23           HA       LEU  23   1.288   1.795   5.824
  166   1HB   LEU  23           HB2      LEU  23   0.172   0.750   3.223
  167   2HB   LEU  23           HB1      LEU  23   1.330   2.057   3.472
  168    HG   LEU  23           HG       LEU  23   2.113  -0.647   4.454
  169   1HD1  LEU  23          HD12      LEU  23   1.555   0.065   1.633
  170   2HD1  LEU  23          HD11      LEU  23   3.049  -0.811   1.958
  171   3HD1  LEU  23          HD13      LEU  23   1.499  -1.508   2.430
  172   1HD2  LEU  23          HD22      LEU  23   3.327   1.882   3.835
  173   2HD2  LEU  23          HD21      LEU  23   4.048   0.473   4.614
  174   3HD2  LEU  23          HD23      LEU  23   4.071   0.617   2.856
  175    H    CYS  24           HN       CYS  24  -0.200   3.331   6.424
  176    HA   CYS  24           HA       CYS  24  -3.045   2.658   6.343
  177   1HB   CYS  24           HB2      CYS  24  -2.517   3.989   8.216
  178   2HB   CYS  24           HB1      CYS  24  -1.466   5.030   7.299
  179    H    GLY  25           HN       GLY  25  -4.506   3.325   4.801
  180   1HA   GLY  25           HA2      GLY  25  -3.401   4.503   2.391
  181   2HA   GLY  25           HA1      GLY  25  -5.044   4.050   2.610
  182    H    SER  26           HN       SER  26  -5.460   6.246   1.539
  183    HA   SER  26           HA       SER  26  -4.982   8.518   3.394
  184   1HB   SER  26           HB2      SER  26  -4.835   8.647   0.827
  185   2HB   SER  26           HB1      SER  26  -6.594   8.602   0.836
  186    HG   SER  26           HG       SER  26  -4.961  10.660   1.312
  187    H    ASP  27           HN       ASP  27  -7.427   6.201   2.718
  188    HA   ASP  27           HA       ASP  27  -9.594   7.883   3.823
  189   1HB   ASP  27           HB2      ASP  27 -11.059   6.047   3.281
  190   2HB   ASP  27           HB1      ASP  27  -9.963   6.253   1.915
  191    H    ASN  28           HN       ASN  28  -7.151   6.870   5.360
  192    HA   ASN  28           HA       ASN  28  -6.759   6.241   7.581
  193   1HB   ASN  28           HB2      ASN  28  -8.797   7.587   8.078
  194   2HB   ASN  28           HB1      ASN  28  -9.784   6.153   7.795
  195   1HD2  ASN  28          HD22      ASN  28  -9.250   6.134  11.426
  196   2HD2  ASN  28          HD21      ASN  28 -10.165   6.994  10.283
  197    H    LYS  29           HN       LYS  29  -6.996   4.275   5.412
  198    HA   LYS  29           HA       LYS  29  -8.108   1.923   6.862
  199   1HB   LYS  29           HB2      LYS  29  -8.535   2.490   4.325
  200   2HB   LYS  29           HB1      LYS  29  -6.932   1.790   4.098
  201   1HG   LYS  29           HG2      LYS  29  -7.630  -0.325   4.617
  202   2HG   LYS  29           HG1      LYS  29  -8.783   0.243   5.826
  203   1HD   LYS  29           HD2      LYS  29 -10.071   1.198   3.744
  204   2HD   LYS  29           HD1      LYS  29  -9.126   0.004   2.852
  205   1HE   LYS  29           HE2      LYS  29  -9.920  -1.659   4.693
  206   2HE   LYS  29           HE1      LYS  29 -11.157  -0.450   5.029
  207   1HZ   LYS  29           HZ2      LYS  29 -10.989  -0.818   2.256
  208   2HZ   LYS  29           HZ1      LYS  29 -11.116  -2.348   2.985
  209   3HZ   LYS  29           HZ3      LYS  29 -12.293  -1.165   3.289
  210    H    THR  30           HN       THR  30  -6.593  -0.137   6.364
  211    HA   THR  30           HA       THR  30  -3.724   0.615   6.579
  212    HB   THR  30           HB       THR  30  -5.310  -0.874   8.690
  213    HG1  THR  30           HG1      THR  30  -4.756   0.782   9.887
  214   1HG2  THR  30          HG23      THR  30  -2.570  -1.329   7.786
  215   2HG2  THR  30          HG22      THR  30  -2.644  -0.875   9.488
  216   3HG2  THR  30          HG21      THR  30  -3.550  -2.272   8.908
  217    H    TYR  31           HN       TYR  31  -2.690  -0.714   5.156
  218    HA   TYR  31           HA       TYR  31  -3.934  -3.334   4.477
  219   1HB   TYR  31           HB2      TYR  31  -2.000  -1.498   3.085
  220   2HB   TYR  31           HB1      TYR  31  -2.141  -3.186   2.594
  221    HD1  TYR  31           HD1      TYR  31  -4.090  -0.066   3.165
  222    HD2  TYR  31           HD2      TYR  31  -4.007  -3.923   1.279
  223    HE1  TYR  31           HE1      TYR  31  -6.168   0.490   1.934
  224    HE2  TYR  31           HE2      TYR  31  -6.083  -3.367   0.048
  225    HH   TYR  31           HH       TYR  31  -7.439  -1.630  -0.569
  226    H    GLY  32           HN       GLY  32  -2.932  -5.233   5.029
  227   1HA   GLY  32           HA2      GLY  32  -1.174  -5.447   7.113
  228   2HA   GLY  32           HA1      GLY  32  -1.241  -6.670   5.856
  229    H    ASN  33           HN       ASN  33  -0.067  -5.633   3.702
  230    HA   ASN  33           HA       ASN  33   2.462  -4.376   4.647
  231   1HB   ASN  33           HB2      ASN  33   3.816  -5.896   3.319
  232   2HB   ASN  33           HB1      ASN  33   2.850  -6.800   4.457
  233   1HD2  ASN  33          HD22      ASN  33   2.383  -8.648   1.357
  234   2HD2  ASN  33          HD21      ASN  33   3.536  -8.452   2.587
  235    H    LYS  34           HN       LYS  34   3.762  -4.449   2.192
  236    HA   LYS  34           HA       LYS  34   2.508  -2.213   0.899
  237   1HB   LYS  34           HB2      LYS  34   4.450  -2.733  -0.778
  238   2HB   LYS  34           HB1      LYS  34   4.818  -2.080   0.803
  239   1HG   LYS  34           HG2      LYS  34   5.768  -4.031   1.525
  240   2HG   LYS  34           HG1      LYS  34   4.651  -5.043   0.610
  241   1HD   LYS  34           HD2      LYS  34   6.678  -3.367  -0.849
  242   2HD   LYS  34           HD1      LYS  34   7.168  -4.902  -0.132
  243   1HE   LYS  34           HE2      LYS  34   4.684  -5.280  -1.522
  244   2HE   LYS  34           HE1      LYS  34   5.827  -4.490  -2.604
  245   1HZ   LYS  34           HZ2      LYS  34   7.254  -6.426  -1.245
  246   2HZ   LYS  34           HZ1      LYS  34   5.797  -7.170  -1.702
  247   3HZ   LYS  34           HZ3      LYS  34   6.784  -6.452  -2.878
  248    H    CYS  35           HN       CYS  35   3.229  -5.520  -0.406
  249    HA   CYS  35           HA       CYS  35   1.989  -5.157  -2.863
  250   1HB   CYS  35           HB2      CYS  35   3.124  -7.254  -2.237
  251   2HB   CYS  35           HB1      CYS  35   1.810  -7.628  -1.120
  252    H    ASN  36           HN       ASN  36   0.516  -5.320   0.279
  253    HA   ASN  36           HA       ASN  36  -2.182  -5.786  -0.772
  254   1HB   ASN  36           HB2      ASN  36  -0.907  -5.542   1.880
  255   2HB   ASN  36           HB1      ASN  36  -2.552  -4.919   1.789
  256   1HD2  ASN  36          HD22      ASN  36  -1.910  -8.911   1.662
  257   2HD2  ASN  36          HD21      ASN  36  -0.641  -7.802   1.851
  258    H    PHE  37           HN       PHE  37  -0.523  -3.057   0.847
  259    HA   PHE  37           HA       PHE  37  -2.611  -1.160   0.616
  260   1HB   PHE  37           HB2      PHE  37  -0.513  -0.814   1.856
  261   2HB   PHE  37           HB1      PHE  37   0.363  -0.604   0.460
  262    HD1  PHE  37           HD1      PHE  37  -2.941   0.662   1.612
  263    HD2  PHE  37           HD2      PHE  37   0.867   1.459  -0.132
  264    HE1  PHE  37           HE1      PHE  37  -3.623   3.014   1.264
  265    HE2  PHE  37           HE2      PHE  37   0.218   3.825  -0.499
  266    HZ   PHE  37           HZ       PHE  37  -2.033   4.616   0.212
  267    H    CYS  38           HN       CYS  38  -0.117  -2.077  -1.514
  268    HA   CYS  38           HA       CYS  38  -0.601  -0.101  -3.549
  269   1HB   CYS  38           HB2      CYS  38   0.867  -2.733  -3.488
  270   2HB   CYS  38           HB1      CYS  38   0.619  -1.884  -5.011
  271    H    ASN  39           HN       ASN  39  -1.660  -3.498  -3.130
  272    HA   ASN  39           HA       ASN  39  -3.072  -3.790  -5.563
  273   1HB   ASN  39           HB2      ASN  39  -3.558  -4.870  -2.778
  274   2HB   ASN  39           HB1      ASN  39  -4.661  -5.236  -4.098
  275   1HD2  ASN  39          HD22      ASN  39  -0.959  -6.398  -5.166
  276   2HD2  ASN  39          HD21      ASN  39  -1.296  -4.769  -4.870
  277    H    ALA  40           HN       ALA  40  -3.705  -1.745  -2.845
  278    HA   ALA  40           HA       ALA  40  -6.520  -1.303  -3.561
  279   1HB   ALA  40           HB3      ALA  40  -5.312  -1.077  -1.198
  280   2HB   ALA  40           HB2      ALA  40  -4.993   0.559  -1.773
  281   3HB   ALA  40           HB1      ALA  40  -6.653  -0.017  -1.628
  282    H    VAL  41           HN       VAL  41  -3.401   0.370  -3.827
  283    HA   VAL  41           HA       VAL  41  -4.354   2.784  -5.022
  284    HB   VAL  41           HB       VAL  41  -1.730   1.348  -5.540
  285   1HG1  VAL  41          HG12      VAL  41  -2.753   3.547  -6.814
  286   2HG1  VAL  41          HG11      VAL  41  -1.857   4.292  -5.491
  287   3HG1  VAL  41          HG13      VAL  41  -1.032   3.217  -6.619
  288   1HG2  VAL  41          HG23      VAL  41  -2.522   1.936  -3.085
  289   2HG2  VAL  41          HG22      VAL  41  -0.870   2.285  -3.593
  290   3HG2  VAL  41          HG21      VAL  41  -2.072   3.575  -3.558
  291    H    VAL  42           HN       VAL  42  -3.662  -0.391  -6.291
  292    HA   VAL  42           HA       VAL  42  -3.990   0.434  -9.084
  293    HB   VAL  42           HB       VAL  42  -3.594  -1.951  -9.560
  294   1HG1  VAL  42          HG11      VAL  42  -1.820  -0.166  -8.480
  295   2HG1  VAL  42          HG13      VAL  42  -1.629  -1.552  -7.407
  296   3HG1  VAL  42          HG12      VAL  42  -1.376  -1.737  -9.143
  297   1HG2  VAL  42          HG21      VAL  42  -4.006  -2.168  -6.594
  298   2HG2  VAL  42          HG23      VAL  42  -4.712  -3.147  -7.876
  299   3HG2  VAL  42          HG22      VAL  42  -3.015  -3.350  -7.439
  300    H    GLU  43           HN       GLU  43  -5.907  -0.971  -6.518
  301    HA   GLU  43           HA       GLU  43  -8.091  -1.651  -8.402
  302   1HB   GLU  43           HB2      GLU  43  -7.313  -2.875  -6.106
  303   2HB   GLU  43           HB1      GLU  43  -8.559  -1.810  -5.480
  304   1HG   GLU  43           HG2      GLU  43  -9.384  -3.086  -7.964
  305   2HG   GLU  43           HG1      GLU  43  -8.982  -4.269  -6.717
  306    H    SER  44           HN       SER  44  -7.032   1.156  -7.386
  307    HA   SER  44           HA       SER  44  -9.790   2.251  -7.024
  308   1HB   SER  44           HB2      SER  44  -8.812   3.905  -5.402
  309   2HB   SER  44           HB1      SER  44  -8.806   2.246  -4.811
  310    HG   SER  44           HG       SER  44  -6.646   3.637  -6.031
  311    H    ASN  45           HN       ASN  45  -7.297   2.135  -9.039
  312    HA   ASN  45           HA       ASN  45  -6.593   3.512 -10.792
  313   1HB   ASN  45           HB2      ASN  45  -9.092   4.870  -9.859
  314   2HB   ASN  45           HB1      ASN  45  -8.015   5.756 -10.932
  315   1HD2  ASN  45          HD22      ASN  45  -9.538   2.222 -12.389
  316   2HD2  ASN  45          HD21      ASN  45  -9.115   2.327 -10.748
  317    H    GLY  46           HN       GLY  46  -5.942   3.953  -7.744
  318   1HA   GLY  46           HA2      GLY  46  -4.137   5.168  -6.806
  319   2HA   GLY  46           HA1      GLY  46  -4.072   6.156  -8.258
  320    H    THR  47           HN       THR  47  -7.233   5.923  -7.069
  321    HA   THR  47           HA       THR  47  -7.197   8.728  -6.233
  322    HB   THR  47           HB       THR  47  -9.585   8.505  -6.035
  323    HG1  THR  47           HG1      THR  47 -10.559   6.586  -5.777
  324   1HG2  THR  47          HG23      THR  47  -8.551   6.756  -8.282
  325   2HG2  THR  47          HG22      THR  47 -10.177   7.437  -8.204
  326   3HG2  THR  47          HG21      THR  47  -8.778   8.503  -8.339
  327    H    LEU  48           HN       LEU  48  -6.346   5.906  -4.732
  328    HA   LEU  48           HA       LEU  48  -7.517   6.366  -2.114
  329   1HB   LEU  48           HB2      LEU  48  -7.087   4.103  -2.518
  330   2HB   LEU  48           HB1      LEU  48  -5.565   4.439  -3.334
  331    HG   LEU  48           HG       LEU  48  -4.592   5.111  -1.120
  332   1HD1  LEU  48          HD13      LEU  48  -7.261   4.102  -0.129
  333   2HD1  LEU  48          HD12      LEU  48  -5.863   4.404   0.903
  334   3HD1  LEU  48          HD11      LEU  48  -6.624   5.738   0.037
  335   1HD2  LEU  48          HD22      LEU  48  -5.584   2.398  -1.803
  336   2HD2  LEU  48          HD21      LEU  48  -3.933   2.958  -1.534
  337   3HD2  LEU  48          HD23      LEU  48  -4.987   2.623  -0.159
  338    H    THR  49           HN       THR  49  -4.113   5.980  -2.838
  339    HA   THR  49           HA       THR  49  -2.232   7.229  -2.248
  340    HB   THR  49           HB       THR  49  -2.416   9.509  -2.072
  341    HG1  THR  49           HG1      THR  49  -4.631  10.276  -1.168
  342   1HG2  THR  49          HG22      THR  49  -3.960   8.489  -3.960
  343   2HG2  THR  49          HG21      THR  49  -5.240   9.237  -3.004
  344   3HG2  THR  49          HG23      THR  49  -3.935  10.227  -3.660
  345    H    LEU  50           HN       LEU  50  -1.156   7.565  -0.103
  346    HA   LEU  50           HA       LEU  50  -2.924   6.418   1.979
  347   1HB   LEU  50           HB2      LEU  50  -1.338   4.878   2.253
  348   2HB   LEU  50           HB1      LEU  50  -0.409   5.626   0.966
  349    HG   LEU  50           HG       LEU  50  -0.228   6.807   3.714
  350   1HD1  LEU  50          HD11      LEU  50   0.010   4.128   3.418
  351   2HD1  LEU  50          HD13      LEU  50   1.654   4.648   3.046
  352   3HD1  LEU  50          HD12      LEU  50   0.922   5.074   4.595
  353   1HD2  LEU  50          HD23      LEU  50   0.904   7.574   1.453
  354   2HD2  LEU  50          HD22      LEU  50   1.857   7.550   2.938
  355   3HD2  LEU  50          HD21      LEU  50   2.000   6.230   1.779
  356    H    SER  51           HN       SER  51  -2.401   7.026   4.246
  357    HA   SER  51           HA       SER  51  -2.155   9.905   4.421
  358   1HB   SER  51           HB2      SER  51  -3.263   9.653   6.347
  359   2HB   SER  51           HB1      SER  51  -3.949   8.280   5.653
  360    HG   SER  51           HG       SER  51  -2.809   8.417   7.882
  361    H    HIS  52           HN       HIS  52  -0.878   7.165   6.315
  362    HA   HIS  52           HA       HIS  52   1.785   8.461   6.399
  363   1HB   HIS  52           HB2      HIS  52   1.905   8.323   8.797
  364   2HB   HIS  52           HB1      HIS  52   0.361   9.097   8.432
  365    HD1  HIS  52           HD1      HIS  52   1.724   6.391  10.375
  366    HD2  HIS  52           HD2      HIS  52  -1.813   6.930   8.249
  367    HE1  HIS  52           HE1      HIS  52   0.106   4.609  11.168
  368    H    PHE  53           HN       PHE  53   3.493   6.916   6.854
  369    HA   PHE  53           HA       PHE  53   2.885   4.201   6.006
  370   1HB   PHE  53           HB2      PHE  53   5.394   5.458   7.154
  371   2HB   PHE  53           HB1      PHE  53   5.294   3.791   6.588
  372    HD1  PHE  53           HD2      PHE  53   5.248   7.331   5.594
  373    HD2  PHE  53           HD1      PHE  53   5.036   3.268   4.215
  374    HE1  PHE  53           HE2      PHE  53   5.611   8.103   3.270
  375    HE2  PHE  53           HE1      PHE  53   5.404   4.041   1.886
  376    HZ   PHE  53           HZ       PHE  53   5.691   6.460   1.415
  377    H    GLY  54           HN       GLY  54   1.888   2.810   7.386
  378   1HA   GLY  54           HA2      GLY  54   2.695   1.589   9.582
  379   2HA   GLY  54           HA1      GLY  54   2.239   3.129  10.290
  380    H    LYS  55           HN       LYS  55   0.798   1.259  11.288
  381    HA   LYS  55           HA       LYS  55  -1.593   0.674   9.686
  382   1HB   LYS  55           HB2      LYS  55  -2.217   0.027  12.330
  383   2HB   LYS  55           HB1      LYS  55  -1.643  -1.087  11.095
  384   1HG   LYS  55           HG2      LYS  55   0.690  -0.626  11.771
  385   2HG   LYS  55           HG1      LYS  55   0.104   0.477  13.016
  386   1HD   LYS  55           HD2      LYS  55  -1.205  -2.137  13.127
  387   2HD   LYS  55           HD1      LYS  55   0.542  -2.241  13.352
  388   1HE   LYS  55           HE2      LYS  55  -0.081  -0.057  14.891
  389   2HE   LYS  55           HE1      LYS  55  -1.509  -1.066  15.111
  390   1HZ   LYS  55           HZ3      LYS  55   0.798  -2.672  15.225
  391   2HZ   LYS  55           HZ2      LYS  55   0.988  -1.366  16.295
  392   3HZ   LYS  55           HZ1      LYS  55  -0.358  -2.393  16.434
  393    H    CYS  56           HN       CYS  56  -2.815   2.474   9.313
  394    HA   CYS  56           HA       CYS  56  -3.070   4.803  10.771
  395   1HB   CYS  56           HB2      CYS  56  -4.572   3.492   8.731
  396   2HB   CYS  56           HB1      CYS  56  -5.715   4.074   9.942
   
  No H/Q in entry =         396
  Start of MODEL          41
 Raw file had  401 H/Q atoms
  Start of MODEL   41
    1   1H    LEU   1           HT3      LEU   1  13.307  15.189   1.251
    2   2H    LEU   1           HT2      LEU   1  13.895  14.741   2.781
    3   3H    LEU   1           HT1      LEU   1  13.027  13.623   1.842
    4    HA   LEU   1           HA       LEU   1  11.336  14.249   3.180
    5   1HB   LEU   1           HB2      LEU   1  11.240  16.612   4.114
    6   2HB   LEU   1           HB1      LEU   1  12.622  15.655   4.644
    7    HG   LEU   1           HG       LEU   1  13.273  16.978   2.173
    8   1HD1  LEU   1          HD13      LEU   1  11.506  18.483   3.808
    9   2HD1  LEU   1          HD12      LEU   1  13.115  19.168   4.031
   10   3HD1  LEU   1          HD11      LEU   1  12.424  19.049   2.413
   11   1HD2  LEU   1          HD23      LEU   1  14.328  16.508   4.853
   12   2HD2  LEU   1          HD22      LEU   1  15.195  16.696   3.329
   13   3HD2  LEU   1          HD21      LEU   1  14.733  18.120   4.262
   14    H    ALA   2           HN       ALA   2   9.486  14.417   2.018
   15    HA   ALA   2           HA       ALA   2   8.654  16.781   0.668
   16   1HB   ALA   2           HB1      ALA   2   9.899  14.640  -1.074
   17   2HB   ALA   2           HB3      ALA   2   8.788  15.860  -1.699
   18   3HB   ALA   2           HB2      ALA   2  10.330  16.348  -0.995
   19    H    ALA   3           HN       ALA   3   8.359  13.444  -0.550
   20    HA   ALA   3           HA       ALA   3   5.531  13.473   0.422
   21   1HB   ALA   3           HB2      ALA   3   6.542  13.262  -2.285
   22   2HB   ALA   3           HB1      ALA   3   5.634  11.815  -1.847
   23   3HB   ALA   3           HB3      ALA   3   4.873  13.401  -1.730
   24    H    VAL   4           HN       VAL   4   4.618  11.206   0.536
   25    HA   VAL   4           HA       VAL   4   6.735   9.187   1.127
   26    HB   VAL   4           HB       VAL   4   5.051   8.510   3.037
   27   1HG1  VAL   4          HG11      VAL   4   7.182  10.590   2.940
   28   2HG1  VAL   4          HG13      VAL   4   6.219  10.502   4.415
   29   3HG1  VAL   4          HG12      VAL   4   7.118   9.089   3.864
   30   1HG2  VAL   4          HG23      VAL   4   4.433  11.440   2.549
   31   2HG2  VAL   4          HG22      VAL   4   3.294  10.095   2.482
   32   3HG2  VAL   4          HG21      VAL   4   4.004  10.572   4.024
   33    H    SER   5           HN       SER   5   6.247   7.973  -0.743
   34    HA   SER   5           HA       SER   5   3.480   6.829  -0.820
   35   1HB   SER   5           HB2      SER   5   5.344   7.356  -3.154
   36   2HB   SER   5           HB1      SER   5   3.744   6.626  -3.263
   37    HG   SER   5           HG       SER   5   4.502   9.263  -2.756
   38    H    VAL   6           HN       VAL   6   3.454   4.621  -1.904
   39    HA   VAL   6           HA       VAL   6   5.877   3.088  -1.078
   40    HB   VAL   6           HB       VAL   6   3.000   2.210  -1.343
   41   1HG1  VAL   6          HG13      VAL   6   5.544   0.740  -1.080
   42   2HG1  VAL   6          HG12      VAL   6   4.304   0.260   0.079
   43   3HG1  VAL   6          HG11      VAL   6   3.974   0.174  -1.651
   44   1HG2  VAL   6          HG23      VAL   6   3.773   3.706   0.635
   45   2HG2  VAL   6          HG22      VAL   6   2.897   2.223   1.017
   46   3HG2  VAL   6          HG21      VAL   6   4.651   2.277   1.179
   47    H    ASP   7           HN       ASP   7   4.951   4.414  -3.680
   48    HA   ASP   7           HA       ASP   7   5.253   3.986  -5.972
   49   1HB   ASP   7           HB2      ASP   7   7.394   3.022  -5.277
   50   2HB   ASP   7           HB1      ASP   7   6.602   1.496  -4.882
   51    H    CYS   8           HN       CYS   8   4.025   2.994  -7.599
   52    HA   CYS   8           HA       CYS   8   2.595   0.486  -7.012
   53   1HB   CYS   8           HB2      CYS   8   1.274   3.156  -7.098
   54   2HB   CYS   8           HB1      CYS   8   0.426   1.781  -7.804
   55    H    SER   9           HN       SER   9   4.493   1.875  -9.047
   56    HA   SER   9           HA       SER   9   2.919   1.763 -11.525
   57   1HB   SER   9           HB2      SER   9   4.801   3.392 -11.189
   58   2HB   SER   9           HB1      SER   9   5.919   2.031 -11.176
   59    HG   SER   9           HG       SER   9   5.843   2.088 -13.263
   60    H    GLU  10           HN       GLU  10   3.667  -0.634  -9.643
   61    HA   GLU  10           HA       GLU  10   4.265  -2.471 -11.901
   62   1HB   GLU  10           HB2      GLU  10   5.632  -2.764  -9.220
   63   2HB   GLU  10           HB1      GLU  10   6.002  -3.605 -10.726
   64   1HG   GLU  10           HG2      GLU  10   7.621  -2.008 -10.921
   65   2HG   GLU  10           HG1      GLU  10   6.290  -1.018 -11.523
   66    H    TYR  11           HN       TYR  11   1.899  -1.743 -10.193
   67    HA   TYR  11           HA       TYR  11   1.375  -4.426  -9.025
   68   1HB   TYR  11           HB2      TYR  11   0.618  -1.638  -8.197
   69   2HB   TYR  11           HB1      TYR  11  -0.432  -2.974  -7.740
   70    HD1  TYR  11           HD1      TYR  11   0.520  -4.902  -6.394
   71    HD2  TYR  11           HD2      TYR  11   2.744  -1.317  -7.183
   72    HE1  TYR  11           HE1      TYR  11   2.128  -5.498  -4.590
   73    HE2  TYR  11           HE2      TYR  11   4.345  -1.907  -5.384
   74    HH   TYR  11           HH       TYR  11   3.776  -4.636  -3.244
   75    HA   PRO  12           HA       PRO  12  -0.575  -4.755  -7.933
   76   1HB   PRO  12           HB2      PRO  12  -2.560  -6.660  -8.115
   77   2HB   PRO  12           HB1      PRO  12  -2.868  -4.962  -7.739
   78   1HG   PRO  12           HG2      PRO  12  -3.534  -6.438 -10.192
   79   2HG   PRO  12           HG1      PRO  12  -4.070  -4.824  -9.696
   80   1HD   PRO  12           HD2      PRO  12  -1.938  -5.542 -11.521
   81   2HD   PRO  12           HD1      PRO  12  -2.614  -3.964 -11.301
   82    H    LYS  13           HN       LYS  13  -0.383  -7.125  -7.069
   83    HA   LYS  13           HA       LYS  13   0.829  -8.929  -9.104
   84   1HB   LYS  13           HB2      LYS  13   2.111  -8.468  -6.410
   85   2HB   LYS  13           HB1      LYS  13   2.812  -9.223  -7.841
   86   1HG   LYS  13           HG2      LYS  13   2.671  -7.027  -9.023
   87   2HG   LYS  13           HG1      LYS  13   2.094  -6.296  -7.524
   88   1HD   LYS  13           HD2      LYS  13   4.747  -7.731  -7.856
   89   2HD   LYS  13           HD1      LYS  13   4.538  -5.980  -7.814
   90   1HE   LYS  13           HE2      LYS  13   4.668  -6.060  -5.570
   91   2HE   LYS  13           HE1      LYS  13   3.173  -6.997  -5.553
   92   1HZ   LYS  13           HZ3      LYS  13   4.493  -9.010  -5.860
   93   2HZ   LYS  13           HZ2      LYS  13   5.922  -8.092  -5.819
   94   3HZ   LYS  13           HZ1      LYS  13   4.933  -8.194  -4.441
   95    HA   PRO  14           HA       PRO  14  -1.739 -11.687  -6.720
   96   1HB   PRO  14           HB2      PRO  14  -1.206 -13.926  -8.218
   97   2HB   PRO  14           HB1      PRO  14  -2.329 -12.652  -8.722
   98   1HG   PRO  14           HG2      PRO  14   0.416 -13.235  -9.717
   99   2HG   PRO  14           HG1      PRO  14  -0.930 -12.439 -10.545
  100   1HD   PRO  14           HD2      PRO  14   1.304 -11.157  -9.406
  101   2HD   PRO  14           HD1      PRO  14  -0.175 -10.367  -9.927
  102    H    ALA  15           HN       ALA  15   1.381 -11.328  -6.326
  103    HA   ALA  15           HA       ALA  15   1.638 -13.719  -4.574
  104   1HB   ALA  15           HB1      ALA  15   3.080 -13.361  -6.993
  105   2HB   ALA  15           HB3      ALA  15   4.214 -13.072  -5.675
  106   3HB   ALA  15           HB2      ALA  15   3.334 -14.598  -5.761
  107    H    CYS  16           HN       CYS  16   1.233 -12.214  -2.841
  108    HA   CYS  16           HA       CYS  16   3.239 -10.057  -2.469
  109   1HB   CYS  16           HB2      CYS  16   0.935 -10.655  -0.607
  110   2HB   CYS  16           HB1      CYS  16   1.760  -9.126  -0.883
  111    H    THR  17           HN       THR  17   4.893 -10.263  -1.045
  112    HA   THR  17           HA       THR  17   5.600 -12.728   0.140
  113    HB   THR  17           HB       THR  17   6.825 -10.910   1.785
  114    HG1  THR  17           HG1      THR  17   7.260  -9.118   0.438
  115   1HG2  THR  17          HG21      THR  17   7.510 -12.586  -0.308
  116   2HG2  THR  17          HG23      THR  17   8.053 -11.004  -0.871
  117   3HG2  THR  17          HG22      THR  17   8.643 -11.645   0.663
  118    H    LEU  18           HN       LEU  18   6.095 -12.265   2.860
  119    HA   LEU  18           HA       LEU  18   3.318 -11.899   3.901
  120   1HB   LEU  18           HB2      LEU  18   3.804 -13.688   5.546
  121   2HB   LEU  18           HB1      LEU  18   3.916 -14.281   3.888
  122    HG   LEU  18           HG       LEU  18   6.455 -13.608   4.141
  123   1HD1  LEU  18          HD13      LEU  18   5.407 -13.746   6.960
  124   2HD1  LEU  18          HD12      LEU  18   7.068 -14.221   6.605
  125   3HD1  LEU  18          HD11      LEU  18   6.525 -12.581   6.250
  126   1HD2  LEU  18          HD22      LEU  18   5.153 -16.040   5.404
  127   2HD2  LEU  18          HD21      LEU  18   5.741 -15.890   3.748
  128   3HD2  LEU  18          HD23      LEU  18   6.883 -15.910   5.091
  129    H    GLU  19           HN       GLU  19   6.322 -10.556   3.966
  130    HA   GLU  19           HA       GLU  19   6.898 -10.153   6.712
  131   1HB   GLU  19           HB2      GLU  19   7.191  -7.674   5.162
  132   2HB   GLU  19           HB1      GLU  19   8.410  -8.601   6.024
  133   1HG   GLU  19           HG2      GLU  19   7.339  -9.242   3.255
  134   2HG   GLU  19           HG1      GLU  19   8.902  -8.520   3.615
  135    H    TYR  20           HN       TYR  20   6.522  -7.621   7.583
  136    HA   TYR  20           HA       TYR  20   3.627  -7.076   7.124
  137   1HB   TYR  20           HB2      TYR  20   4.043  -8.398   9.260
  138   2HB   TYR  20           HB1      TYR  20   4.864  -6.961   9.876
  139    HD1  TYR  20           HD2      TYR  20   1.832  -7.353   7.710
  140    HD2  TYR  20           HD1      TYR  20   3.436  -5.923  11.430
  141    HE1  TYR  20           HE2      TYR  20  -0.359  -6.330   8.259
  142    HE2  TYR  20           HE1      TYR  20   1.244  -4.899  11.980
  143    HH   TYR  20           HH       TYR  20  -0.788  -4.033  10.559
  144    H    ARG  21           HN       ARG  21   3.726  -5.153   6.138
  145    HA   ARG  21           HA       ARG  21   4.980  -2.899   7.623
  146   1HB   ARG  21           HB2      ARG  21   5.214  -2.127   4.966
  147   2HB   ARG  21           HB1      ARG  21   6.542  -2.685   5.978
  148   1HG   ARG  21           HG2      ARG  21   4.931  -4.839   4.730
  149   2HG   ARG  21           HG1      ARG  21   5.852  -3.843   3.609
  150   1HD   ARG  21           HD2      ARG  21   7.725  -4.220   5.526
  151   2HD   ARG  21           HD1      ARG  21   6.820  -5.726   5.685
  152    HE   ARG  21           HE       ARG  21   8.609  -5.098   3.540
  153   1HH1  ARG  21          HH21      ARG  21   5.624  -6.622   4.359
  154   2HH1  ARG  21          HH22      ARG  21   5.581  -7.600   2.931
  155   1HH2  ARG  21          HH11      ARG  21   8.515  -6.285   1.625
  156   2HH2  ARG  21          HH12      ARG  21   7.217  -7.405   1.377
  157    HA   PRO  22           HA       PRO  22   0.530  -2.421   6.638
  158   1HB   PRO  22           HB2      PRO  22   0.001  -1.006   8.954
  159   2HB   PRO  22           HB1      PRO  22  -0.073  -2.778   8.809
  160   1HG   PRO  22           HG2      PRO  22   2.082  -1.066  10.010
  161   2HG   PRO  22           HG1      PRO  22   1.539  -2.686  10.486
  162   1HD   PRO  22           HD2      PRO  22   3.845  -2.212   9.026
  163   2HD   PRO  22           HD1      PRO  22   2.938  -3.740   8.972
  164    H    LEU  23           HN       LEU  23   0.128  -0.876   5.141
  165    HA   LEU  23           HA       LEU  23   1.194   1.869   5.664
  166   1HB   LEU  23           HB2      LEU  23   0.147   0.820   3.029
  167   2HB   LEU  23           HB1      LEU  23   1.188   2.218   3.311
  168    HG   LEU  23           HG       LEU  23   2.269  -0.327   4.339
  169   1HD1  LEU  23          HD11      LEU  23   1.764   0.131   1.398
  170   2HD1  LEU  23          HD13      LEU  23   3.012  -0.963   1.994
  171   3HD1  LEU  23          HD12      LEU  23   1.317  -1.272   2.367
  172   1HD2  LEU  23          HD23      LEU  23   3.182   2.149   2.939
  173   2HD2  LEU  23          HD22      LEU  23   3.826   1.379   4.389
  174   3HD2  LEU  23          HD21      LEU  23   4.186   0.706   2.799
  175    H    CYS  24           HN       CYS  24  -0.314   3.350   6.255
  176    HA   CYS  24           HA       CYS  24  -3.154   2.625   6.155
  177   1HB   CYS  24           HB2      CYS  24  -2.707   3.807   8.112
  178   2HB   CYS  24           HB1      CYS  24  -1.535   4.840   7.335
  179    H    GLY  25           HN       GLY  25  -4.725   3.698   4.940
  180   1HA   GLY  25           HA2      GLY  25  -3.827   4.903   2.410
  181   2HA   GLY  25           HA1      GLY  25  -5.405   4.482   2.835
  182    H    SER  26           HN       SER  26  -5.171   6.912   1.720
  183    HA   SER  26           HA       SER  26  -4.810   8.928   3.840
  184   1HB   SER  26           HB2      SER  26  -5.816  10.411   1.893
  185   2HB   SER  26           HB1      SER  26  -4.174   9.794   1.763
  186    HG   SER  26           HG       SER  26  -6.437   9.167   0.331
  187    H    ASP  27           HN       ASP  27  -7.107   6.721   3.461
  188    HA   ASP  27           HA       ASP  27  -9.371   8.578   4.044
  189   1HB   ASP  27           HB2      ASP  27 -10.857   6.822   3.306
  190   2HB   ASP  27           HB1      ASP  27  -9.611   7.015   2.073
  191    H    ASN  28           HN       ASN  28  -7.126   6.755   5.593
  192    HA   ASN  28           HA       ASN  28  -7.051   6.297   7.921
  193   1HB   ASN  28           HB2      ASN  28  -9.223   7.719   8.037
  194   2HB   ASN  28           HB1      ASN  28 -10.055   6.166   8.007
  195   1HD2  ASN  28          HD22      ASN  28  -8.331   7.416  11.427
  196   2HD2  ASN  28          HD21      ASN  28  -8.440   8.405  10.050
  197    H    LYS  29           HN       LYS  29  -6.949   4.376   5.810
  198    HA   LYS  29           HA       LYS  29  -8.251   2.040   7.162
  199   1HB   LYS  29           HB2      LYS  29  -8.529   2.863   4.491
  200   2HB   LYS  29           HB1      LYS  29  -7.411   1.500   4.430
  201   1HG   LYS  29           HG2      LYS  29  -9.311   0.635   6.239
  202   2HG   LYS  29           HG1      LYS  29 -10.276   1.537   5.070
  203   1HD   LYS  29           HD2      LYS  29  -9.512   0.197   3.251
  204   2HD   LYS  29           HD1      LYS  29  -8.222  -0.514   4.223
  205   1HE   LYS  29           HE2      LYS  29  -9.631  -2.197   4.736
  206   2HE   LYS  29           HE1      LYS  29 -10.601  -1.033   5.637
  207   1HZ   LYS  29           HZ2      LYS  29 -11.063  -0.823   2.839
  208   2HZ   LYS  29           HZ1      LYS  29 -11.361  -2.404   3.385
  209   3HZ   LYS  29           HZ3      LYS  29 -12.172  -1.097   4.096
  210    H    THR  30           HN       THR  30  -6.909  -0.059   6.673
  211    HA   THR  30           HA       THR  30  -3.994   0.616   6.654
  212    HB   THR  30           HB       THR  30  -5.527  -1.065   8.644
  213    HG1  THR  30           HG1      THR  30  -4.675   0.334  10.044
  214   1HG2  THR  30          HG23      THR  30  -3.608  -2.403   7.784
  215   2HG2  THR  30          HG22      THR  30  -2.524  -1.077   8.205
  216   3HG2  THR  30          HG21      THR  30  -3.398  -1.937   9.472
  217    H    TYR  31           HN       TYR  31  -2.732  -0.818   5.514
  218    HA   TYR  31           HA       TYR  31  -4.093  -3.240   4.404
  219   1HB   TYR  31           HB2      TYR  31  -2.180  -1.288   3.111
  220   2HB   TYR  31           HB1      TYR  31  -2.456  -2.901   2.448
  221    HD1  TYR  31           HD1      TYR  31  -4.304   0.137   3.633
  222    HD2  TYR  31           HD2      TYR  31  -4.309  -3.286   1.041
  223    HE1  TYR  31           HE1      TYR  31  -6.417   0.922   2.598
  224    HE2  TYR  31           HE2      TYR  31  -6.415  -2.496   0.001
  225    HH   TYR  31           HH       TYR  31  -8.314  -0.017   1.358
  226    H    GLY  32           HN       GLY  32  -3.022  -5.150   4.747
  227   1HA   GLY  32           HA2      GLY  32  -1.210  -5.504   6.751
  228   2HA   GLY  32           HA1      GLY  32  -1.255  -6.599   5.379
  229    H    ASN  33           HN       ASN  33  -0.169  -5.261   3.318
  230    HA   ASN  33           HA       ASN  33   2.240  -3.876   4.302
  231   1HB   ASN  33           HB2      ASN  33   3.750  -5.370   2.987
  232   2HB   ASN  33           HB1      ASN  33   2.971  -6.167   4.327
  233   1HD2  ASN  33          HD22      ASN  33   2.509  -8.534   1.599
  234   2HD2  ASN  33          HD21      ASN  33   3.723  -8.014   2.661
  235    H    LYS  34           HN       LYS  34   3.662  -3.986   1.866
  236    HA   LYS  34           HA       LYS  34   2.458  -1.851   0.446
  237   1HB   LYS  34           HB2      LYS  34   4.354  -2.153  -1.041
  238   2HB   LYS  34           HB1      LYS  34   4.896  -2.360   0.615
  239   1HG   LYS  34           HG2      LYS  34   4.402  -4.884   0.229
  240   2HG   LYS  34           HG1      LYS  34   4.420  -4.468  -1.488
  241   1HD   LYS  34           HD2      LYS  34   6.680  -3.407   0.115
  242   2HD   LYS  34           HD1      LYS  34   6.652  -5.157  -0.117
  243   1HE   LYS  34           HE2      LYS  34   7.817  -4.453  -2.016
  244   2HE   LYS  34           HE1      LYS  34   6.162  -4.532  -2.624
  245   1HZ   LYS  34           HZ3      LYS  34   6.039  -2.104  -1.882
  246   2HZ   LYS  34           HZ2      LYS  34   7.736  -2.160  -1.848
  247   3HZ   LYS  34           HZ1      LYS  34   6.903  -2.457  -3.298
  248    H    CYS  35           HN       CYS  35   2.554  -5.352  -0.226
  249    HA   CYS  35           HA       CYS  35   1.517  -5.142  -2.879
  250   1HB   CYS  35           HB2      CYS  35   2.600  -7.176  -1.840
  251   2HB   CYS  35           HB1      CYS  35   1.086  -7.440  -0.974
  252    H    ASN  36           HN       ASN  36  -0.034  -5.210   0.275
  253    HA   ASN  36           HA       ASN  36  -2.708  -5.502  -0.908
  254   1HB   ASN  36           HB2      ASN  36  -1.625  -5.195   1.885
  255   2HB   ASN  36           HB1      ASN  36  -3.347  -4.961   1.573
  256   1HD2  ASN  36          HD22      ASN  36  -1.720  -8.713   1.223
  257   2HD2  ASN  36          HD21      ASN  36  -0.706  -7.358   1.316
  258    H    PHE  37           HN       PHE  37  -0.797  -2.942   0.645
  259    HA   PHE  37           HA       PHE  37  -2.799  -0.920   0.609
  260   1HB   PHE  37           HB2      PHE  37  -0.567  -0.801   1.765
  261   2HB   PHE  37           HB1      PHE  37   0.171  -0.404   0.313
  262    HD1  PHE  37           HD1      PHE  37  -2.890   0.692   2.131
  263    HD2  PHE  37           HD2      PHE  37   0.483   1.692  -0.274
  264    HE1  PHE  37           HE1      PHE  37  -3.620   3.051   2.131
  265    HE2  PHE  37           HE2      PHE  37  -0.217   4.065  -0.298
  266    HZ   PHE  37           HZ       PHE  37  -2.276   4.762   0.917
  267    H    CYS  38           HN       CYS  38  -0.378  -1.880  -1.671
  268    HA   CYS  38           HA       CYS  38  -1.112   0.264  -3.513
  269   1HB   CYS  38           HB2      CYS  38   1.201  -0.647  -3.511
  270   2HB   CYS  38           HB1      CYS  38   0.584  -2.183  -4.124
  271    H    ASN  39           HN       ASN  39  -1.700  -3.257  -3.313
  272    HA   ASN  39           HA       ASN  39  -3.055  -3.656  -5.734
  273   1HB   ASN  39           HB2      ASN  39  -3.402  -4.768  -2.966
  274   2HB   ASN  39           HB1      ASN  39  -4.640  -5.125  -4.171
  275   1HD2  ASN  39          HD22      ASN  39  -1.762  -7.632  -4.295
  276   2HD2  ASN  39          HD21      ASN  39  -2.643  -7.014  -2.983
  277    H    ALA  40           HN       ALA  40  -3.961  -1.782  -2.951
  278    HA   ALA  40           HA       ALA  40  -6.742  -1.431  -3.784
  279   1HB   ALA  40           HB3      ALA  40  -5.309  -1.012  -1.417
  280   2HB   ALA  40           HB2      ALA  40  -5.683   0.614  -1.988
  281   3HB   ALA  40           HB1      ALA  40  -6.984  -0.543  -1.709
  282    H    VAL  41           HN       VAL  41  -3.757   0.512  -3.763
  283    HA   VAL  41           HA       VAL  41  -4.793   2.861  -4.983
  284    HB   VAL  41           HB       VAL  41  -2.037   1.642  -5.355
  285   1HG1  VAL  41          HG11      VAL  41  -3.251   4.329  -5.898
  286   2HG1  VAL  41          HG13      VAL  41  -1.563   4.243  -5.396
  287   3HG1  VAL  41          HG12      VAL  41  -2.090   3.411  -6.858
  288   1HG2  VAL  41          HG21      VAL  41  -3.042   2.078  -2.947
  289   2HG2  VAL  41          HG23      VAL  41  -1.388   2.561  -3.320
  290   3HG2  VAL  41          HG22      VAL  41  -2.681   3.760  -3.331
  291    H    VAL  42           HN       VAL  42  -4.051  -0.259  -6.302
  292    HA   VAL  42           HA       VAL  42  -4.068   0.698  -9.087
  293    HB   VAL  42           HB       VAL  42  -3.737  -1.748  -9.592
  294   1HG1  VAL  42          HG12      VAL  42  -1.947   0.072  -8.368
  295   2HG1  VAL  42          HG11      VAL  42  -1.654  -1.500  -7.624
  296   3HG1  VAL  42          HG13      VAL  42  -1.540  -1.319  -9.375
  297   1HG2  VAL  42          HG23      VAL  42  -4.964  -2.500  -7.513
  298   2HG2  VAL  42          HG22      VAL  42  -3.416  -3.295  -7.782
  299   3HG2  VAL  42          HG21      VAL  42  -3.545  -2.014  -6.590
  300    H    GLU  43           HN       GLU  43  -6.093  -1.147  -6.849
  301    HA   GLU  43           HA       GLU  43  -8.148  -1.526  -8.943
  302   1HB   GLU  43           HB2      GLU  43  -7.417  -3.101  -6.816
  303   2HB   GLU  43           HB1      GLU  43  -8.806  -2.252  -6.164
  304   1HG   GLU  43           HG2      GLU  43 -10.173  -2.939  -8.075
  305   2HG   GLU  43           HG1      GLU  43  -8.778  -3.743  -8.797
  306    H    SER  44           HN       SER  44  -7.296   1.100  -7.447
  307    HA   SER  44           HA       SER  44 -10.112   1.915  -6.838
  308   1HB   SER  44           HB2      SER  44  -9.253   3.391  -5.079
  309   2HB   SER  44           HB1      SER  44  -8.753   1.733  -4.762
  310    HG   SER  44           HG       SER  44  -7.181   3.646  -6.152
  311    H    ASN  45           HN       ASN  45  -8.182   2.161  -9.245
  312    HA   ASN  45           HA       ASN  45  -7.885   3.797 -10.912
  313   1HB   ASN  45           HB2      ASN  45 -10.167   4.673  -9.444
  314   2HB   ASN  45           HB1      ASN  45  -9.120   6.070  -9.659
  315   1HD2  ASN  45          HD22      ASN  45  -9.744   6.334 -13.122
  316   2HD2  ASN  45          HD21      ASN  45  -8.932   6.965 -11.772
  317    H    GLY  46           HN       GLY  46  -6.292   3.500  -8.331
  318   1HA   GLY  46           HA2      GLY  46  -4.464   4.527  -7.315
  319   2HA   GLY  46           HA1      GLY  46  -4.265   5.409  -8.820
  320    H    THR  47           HN       THR  47  -7.111   5.564  -6.750
  321    HA   THR  47           HA       THR  47  -6.619   8.476  -6.419
  322    HB   THR  47           HB       THR  47  -8.850   7.594  -7.264
  323    HG1  THR  47           HG1      THR  47  -9.432   9.436  -6.494
  324   1HG2  THR  47          HG23      THR  47  -8.651   5.726  -5.365
  325   2HG2  THR  47          HG22      THR  47  -9.541   6.936  -4.438
  326   3HG2  THR  47          HG21      THR  47 -10.217   6.300  -5.939
  327    H    LEU  48           HN       LEU  48  -6.101   5.598  -4.773
  328    HA   LEU  48           HA       LEU  48  -6.545   6.735  -2.086
  329   1HB   LEU  48           HB2      LEU  48  -7.172   4.485  -2.071
  330   2HB   LEU  48           HB1      LEU  48  -5.906   4.020  -3.199
  331    HG   LEU  48           HG       LEU  48  -4.204   4.376  -1.437
  332   1HD1  LEU  48          HD11      LEU  48  -6.500   5.580  -0.095
  333   2HD1  LEU  48          HD13      LEU  48  -5.603   4.457   0.926
  334   3HD1  LEU  48          HD12      LEU  48  -4.774   5.822   0.178
  335   1HD2  LEU  48          HD22      LEU  48  -6.329   2.390  -1.381
  336   2HD2  LEU  48          HD21      LEU  48  -4.599   2.177  -1.116
  337   3HD2  LEU  48          HD23      LEU  48  -5.645   2.645   0.226
  338    H    THR  49           HN       THR  49  -4.915   7.648  -0.948
  339    HA   THR  49           HA       THR  49  -2.113   7.094  -1.814
  340    HB   THR  49           HB       THR  49  -1.513   9.351  -1.536
  341    HG1  THR  49           HG1      THR  49  -4.078   9.847  -0.443
  342   1HG2  THR  49          HG22      THR  49  -3.647   8.664  -3.248
  343   2HG2  THR  49          HG21      THR  49  -4.067  10.233  -2.560
  344   3HG2  THR  49          HG23      THR  49  -2.541  10.028  -3.421
  345    H    LEU  50           HN       LEU  50  -0.721   6.662  -0.109
  346    HA   LEU  50           HA       LEU  50  -1.833   5.869   2.372
  347   1HB   LEU  50           HB2      LEU  50   0.154   4.810   1.778
  348   2HB   LEU  50           HB1      LEU  50   0.934   6.313   1.289
  349    HG   LEU  50           HG       LEU  50   0.645   6.870   3.890
  350   1HD1  LEU  50          HD13      LEU  50  -0.033   4.070   3.625
  351   2HD1  LEU  50          HD12      LEU  50   1.406   4.269   4.627
  352   3HD1  LEU  50          HD11      LEU  50  -0.093   5.092   5.060
  353   1HD2  LEU  50          HD21      LEU  50   2.714   5.270   2.413
  354   2HD2  LEU  50          HD23      LEU  50   2.797   6.940   2.970
  355   3HD2  LEU  50          HD22      LEU  50   2.927   5.616   4.129
  356    H    SER  51           HN       SER  51  -1.515   6.811   4.460
  357    HA   SER  51           HA       SER  51  -1.316   9.784   4.380
  358   1HB   SER  51           HB2      SER  51  -3.346   8.050   5.441
  359   2HB   SER  51           HB1      SER  51  -2.578   8.847   6.755
  360    HG   SER  51           HG       SER  51  -4.059  10.283   6.121
  361    H    HIS  52           HN       HIS  52  -0.127   6.837   5.698
  362    HA   HIS  52           HA       HIS  52   2.226   8.004   6.783
  363   1HB   HIS  52           HB2      HIS  52   1.836   7.979   9.157
  364   2HB   HIS  52           HB1      HIS  52   0.532   8.918   8.433
  365    HD1  HIS  52           HD1      HIS  52   1.005   6.342  10.837
  366    HD2  HIS  52           HD2      HIS  52  -1.792   6.961   7.805
  367    HE1  HIS  52           HE1      HIS  52  -0.984   4.864  11.378
  368    H    PHE  53           HN       PHE  53   3.703   6.362   7.144
  369    HA   PHE  53           HA       PHE  53   2.942   3.666   6.490
  370   1HB   PHE  53           HB2      PHE  53   5.459   4.868   7.644
  371   2HB   PHE  53           HB1      PHE  53   5.284   3.136   7.369
  372    HD1  PHE  53           HD2      PHE  53   5.190   6.456   5.711
  373    HD2  PHE  53           HD1      PHE  53   5.455   2.205   5.180
  374    HE1  PHE  53           HE2      PHE  53   5.731   6.788   3.320
  375    HE2  PHE  53           HE1      PHE  53   5.998   2.538   2.781
  376    HZ   PHE  53           HZ       PHE  53   6.138   4.833   1.852
  377    H    GLY  54           HN       GLY  54   1.725   2.478   7.826
  378   1HA   GLY  54           HA2      GLY  54   2.402   1.280  10.146
  379   2HA   GLY  54           HA1      GLY  54   1.806   2.830  10.713
  380    H    LYS  55           HN       LYS  55   0.267   1.036  11.638
  381    HA   LYS  55           HA       LYS  55  -1.871   0.335   9.742
  382   1HB   LYS  55           HB2      LYS  55  -2.863  -0.382  12.177
  383   2HB   LYS  55           HB1      LYS  55  -1.914  -1.458  11.164
  384   1HG   LYS  55           HG2      LYS  55  -0.683   0.372  13.262
  385   2HG   LYS  55           HG1      LYS  55  -1.203  -1.239  13.588
  386   1HD   LYS  55           HD2      LYS  55   0.318  -2.222  12.024
  387   2HD   LYS  55           HD1      LYS  55   0.792  -0.645  11.409
  388   1HE   LYS  55           HE2      LYS  55   1.087  -1.125  14.339
  389   2HE   LYS  55           HE1      LYS  55   2.236  -1.919  13.264
  390   1HZ   LYS  55           HZ3      LYS  55   2.239   0.518  12.235
  391   2HZ   LYS  55           HZ2      LYS  55   1.881   0.907  13.849
  392   3HZ   LYS  55           HZ1      LYS  55   3.295   0.042  13.475
  393    H    CYS  56           HN       CYS  56  -2.994   2.177   9.222
  394    HA   CYS  56           HA       CYS  56  -3.424   4.477  10.674
  395   1HB   CYS  56           HB2      CYS  56  -4.589   3.306   8.401
  396   2HB   CYS  56           HB1      CYS  56  -5.939   3.690   9.471
   
  No H/Q in entry =         396
  Start of MODEL          42
 Raw file had  401 H/Q atoms
  Start of MODEL   42
    1   1H    LEU   1           HT3      LEU   1  12.080  12.571   8.630
    2   2H    LEU   1           HT2      LEU   1  13.721  12.149   8.500
    3   3H    LEU   1           HT1      LEU   1  13.207  13.713   8.079
    4    HA   LEU   1           HA       LEU   1  13.501  12.656   6.039
    5   1HB   LEU   1           HB2      LEU   1  12.717  10.401   5.590
    6   2HB   LEU   1           HB1      LEU   1  13.685  10.372   7.063
    7    HG   LEU   1           HG       LEU   1  10.683  10.699   7.142
    8   1HD1  LEU   1          HD11      LEU   1  12.140   8.390   6.292
    9   2HD1  LEU   1          HD13      LEU   1  11.479   8.063   7.893
   10   3HD1  LEU   1          HD12      LEU   1  10.407   8.542   6.578
   11   1HD2  LEU   1          HD22      LEU   1  12.855  10.591   9.057
   12   2HD2  LEU   1          HD21      LEU   1  11.152  10.952   9.335
   13   3HD2  LEU   1          HD23      LEU   1  11.713   9.281   9.350
   14    H    ALA   2           HN       ALA   2  12.065  13.151   4.376
   15    HA   ALA   2           HA       ALA   2   9.193  13.471   5.145
   16   1HB   ALA   2           HB2      ALA   2  10.653  15.629   4.946
   17   2HB   ALA   2           HB1      ALA   2  10.547  15.336   3.210
   18   3HB   ALA   2           HB3      ALA   2   9.078  15.593   4.152
   19    H    ALA   3           HN       ALA   3   9.132  11.280   4.069
   20    HA   ALA   3           HA       ALA   3   8.694  11.654   1.152
   21   1HB   ALA   3           HB2      ALA   3  10.993  10.551   1.823
   22   2HB   ALA   3           HB1      ALA   3   9.996   9.125   2.110
   23   3HB   ALA   3           HB3      ALA   3  10.040   9.863   0.508
   24    H    VAL   4           HN       VAL   4   6.464  11.429   1.325
   25    HA   VAL   4           HA       VAL   4   5.489   8.899   2.583
   26    HB   VAL   4           HB       VAL   4   3.304  10.049   2.835
   27   1HG1  VAL   4          HG11      VAL   4   5.601  10.382   4.343
   28   2HG1  VAL   4          HG13      VAL   4   5.043  12.038   4.105
   29   3HG1  VAL   4          HG12      VAL   4   3.974  10.845   4.843
   30   1HG2  VAL   4          HG23      VAL   4   4.845  12.279   1.509
   31   2HG2  VAL   4          HG22      VAL   4   3.238  11.667   1.120
   32   3HG2  VAL   4          HG21      VAL   4   3.484  12.634   2.572
   33    H    SER   5           HN       SER   5   5.797   7.667   0.650
   34    HA   SER   5           HA       SER   5   3.568   7.571  -1.115
   35   1HB   SER   5           HB2      SER   5   4.421   9.646  -2.061
   36   2HB   SER   5           HB1      SER   5   6.030   8.951  -2.225
   37    HG   SER   5           HG       SER   5   3.714   8.522  -3.716
   38    H    VAL   6           HN       VAL   6   3.561   5.433  -1.602
   39    HA   VAL   6           HA       VAL   6   6.143   3.975  -1.657
   40    HB   VAL   6           HB       VAL   6   3.352   2.820  -1.885
   41   1HG1  VAL   6          HG12      VAL   6   6.113   1.750  -1.322
   42   2HG1  VAL   6          HG11      VAL   6   4.683   0.884  -0.760
   43   3HG1  VAL   6          HG13      VAL   6   4.920   1.170  -2.484
   44   1HG2  VAL   6          HG22      VAL   6   4.310   4.273   0.275
   45   2HG2  VAL   6          HG21      VAL   6   3.039   3.052   0.350
   46   3HG2  VAL   6          HG23      VAL   6   4.709   2.610   0.709
   47    H    ASP   7           HN       ASP   7   6.547   2.447  -3.455
   48    HA   ASP   7           HA       ASP   7   5.626   3.615  -6.027
   49   1HB   ASP   7           HB2      ASP   7   8.097   3.240  -5.508
   50   2HB   ASP   7           HB1      ASP   7   7.763   1.512  -5.624
   51    H    CYS   8           HN       CYS   8   3.855   2.639  -6.892
   52    HA   CYS   8           HA       CYS   8   3.708  -0.341  -6.717
   53   1HB   CYS   8           HB2      CYS   8   1.273   1.455  -6.772
   54   2HB   CYS   8           HB1      CYS   8   1.348  -0.260  -6.375
   55    H    SER   9           HN       SER   9   4.952   0.930  -8.842
   56    HA   SER   9           HA       SER   9   3.016   1.338 -11.005
   57   1HB   SER   9           HB2      SER   9   5.786   1.933 -10.551
   58   2HB   SER   9           HB1      SER   9   5.642   1.016 -12.047
   59    HG   SER   9           HG       SER   9   3.720   2.620 -12.278
   60    H    GLU  10           HN       GLU  10   3.688  -1.366  -9.520
   61    HA   GLU  10           HA       GLU  10   3.750  -2.965 -12.042
   62   1HB   GLU  10           HB2      GLU  10   5.086  -4.663 -10.923
   63   2HB   GLU  10           HB1      GLU  10   5.908  -3.109 -10.785
   64   1HG   GLU  10           HG2      GLU  10   4.005  -3.919  -8.617
   65   2HG   GLU  10           HG1      GLU  10   5.607  -4.655  -8.657
   66    H    TYR  11           HN       TYR  11   1.942  -2.057  -9.451
   67    HA   TYR  11           HA       TYR  11   0.730  -4.625  -8.803
   68   1HB   TYR  11           HB2      TYR  11   0.277  -1.747  -8.019
   69   2HB   TYR  11           HB1      TYR  11  -0.865  -2.995  -7.532
   70    HD1  TYR  11           HD2      TYR  11   2.563  -1.733  -7.208
   71    HD2  TYR  11           HD1      TYR  11  -0.181  -4.797  -5.972
   72    HE1  TYR  11           HE2      TYR  11   4.134  -2.413  -5.417
   73    HE2  TYR  11           HE1      TYR  11   1.399  -5.487  -4.180
   74    HH   TYR  11           HH       TYR  11   3.239  -4.752  -2.971
   75    HA   PRO  12           HA       PRO  12  -1.319  -4.692  -7.824
   76   1HB   PRO  12           HB2      PRO  12  -3.448  -6.396  -8.198
   77   2HB   PRO  12           HB1      PRO  12  -3.631  -4.679  -7.815
   78   1HG   PRO  12           HG2      PRO  12  -4.190  -6.068 -10.356
   79   2HG   PRO  12           HG1      PRO  12  -4.695  -4.452  -9.839
   80   1HD   PRO  12           HD2      PRO  12  -2.505  -5.167 -11.575
   81   2HD   PRO  12           HD1      PRO  12  -3.060  -3.555 -11.216
   82    H    LYS  13           HN       LYS  13  -0.779  -6.793  -6.938
   83    HA   LYS  13           HA       LYS  13   0.250  -8.713  -8.990
   84   1HB   LYS  13           HB2      LYS  13   1.357  -8.981  -6.289
   85   2HB   LYS  13           HB1      LYS  13   2.187  -8.883  -7.839
   86   1HG   LYS  13           HG2      LYS  13   1.594  -6.364  -7.775
   87   2HG   LYS  13           HG1      LYS  13   1.268  -6.628  -6.062
   88   1HD   LYS  13           HD2      LYS  13   3.857  -7.553  -7.303
   89   2HD   LYS  13           HD1      LYS  13   3.664  -5.894  -6.735
   90   1HE   LYS  13           HE2      LYS  13   4.383  -6.788  -4.754
   91   2HE   LYS  13           HE1      LYS  13   2.684  -7.230  -4.592
   92   1HZ   LYS  13           HZ3      LYS  13   3.460  -9.300  -5.951
   93   2HZ   LYS  13           HZ2      LYS  13   4.983  -8.902  -5.312
   94   3HZ   LYS  13           HZ1      LYS  13   3.684  -9.240  -4.271
   95    HA   PRO  14           HA       PRO  14  -2.504 -11.656  -7.204
   96   1HB   PRO  14           HB2      PRO  14  -1.333 -13.921  -8.229
   97   2HB   PRO  14           HB1      PRO  14  -2.323 -12.809  -9.190
   98   1HG   PRO  14           HG2      PRO  14   0.640 -13.149  -9.173
   99   2HG   PRO  14           HG1      PRO  14  -0.416 -12.585 -10.477
  100   1HD   PRO  14           HD2      PRO  14   1.186 -10.950  -8.850
  101   2HD   PRO  14           HD1      PRO  14  -0.130 -10.397  -9.864
  102    H    ALA  15           HN       ALA  15   0.326 -10.962  -5.929
  103    HA   ALA  15           HA       ALA  15   0.086 -12.951  -3.779
  104   1HB   ALA  15           HB2      ALA  15   2.265 -12.971  -5.783
  105   2HB   ALA  15           HB1      ALA  15   2.799 -13.032  -4.104
  106   3HB   ALA  15           HB3      ALA  15   1.699 -14.263  -4.725
  107    H    CYS  16           HN       CYS  16   0.823 -12.083  -1.819
  108    HA   CYS  16           HA       CYS  16   1.878  -9.292  -1.999
  109   1HB   CYS  16           HB2      CYS  16   0.162 -10.635   0.107
  110   2HB   CYS  16           HB1      CYS  16   0.881  -9.036   0.307
  111    H    THR  17           HN       THR  17   3.775  -8.815  -0.953
  112    HA   THR  17           HA       THR  17   5.641 -10.785  -0.275
  113    HB   THR  17           HB       THR  17   6.951  -9.050   0.718
  114    HG1  THR  17           HG1      THR  17   6.019  -7.754   2.052
  115   1HG2  THR  17          HG22      THR  17   5.514  -8.616  -1.702
  116   2HG2  THR  17          HG21      THR  17   5.638  -7.063  -0.874
  117   3HG2  THR  17          HG23      THR  17   7.096  -7.981  -1.252
  118    H    LEU  18           HN       LEU  18   6.597 -10.812   2.160
  119    HA   LEU  18           HA       LEU  18   4.263 -11.542   3.874
  120   1HB   LEU  18           HB2      LEU  18   7.123 -12.541   4.032
  121   2HB   LEU  18           HB1      LEU  18   5.773 -13.094   5.023
  122    HG   LEU  18           HG       LEU  18   4.937 -13.263   2.312
  123   1HD1  LEU  18          HD13      LEU  18   7.496 -13.221   1.962
  124   2HD1  LEU  18          HD12      LEU  18   7.497 -14.808   2.731
  125   3HD1  LEU  18          HD11      LEU  18   6.602 -14.554   1.233
  126   1HD2  LEU  18          HD22      LEU  18   5.560 -15.141   4.569
  127   2HD2  LEU  18          HD21      LEU  18   4.013 -14.809   3.790
  128   3HD2  LEU  18          HD23      LEU  18   5.215 -15.810   2.974
  129    H    GLU  19           HN       GLU  19   7.321  -9.768   3.781
  130    HA   GLU  19           HA       GLU  19   7.716  -9.102   6.451
  131   1HB   GLU  19           HB2      GLU  19   7.791  -7.142   4.132
  132   2HB   GLU  19           HB1      GLU  19   8.625  -6.958   5.676
  133   1HG   GLU  19           HG2      GLU  19  10.327  -8.274   5.004
  134   2HG   GLU  19           HG1      GLU  19   9.217  -9.532   4.458
  135    H    TYR  20           HN       TYR  20   6.612  -7.832   7.963
  136    HA   TYR  20           HA       TYR  20   3.873  -7.087   7.209
  137   1HB   TYR  20           HB2      TYR  20   4.408  -8.201   9.401
  138   2HB   TYR  20           HB1      TYR  20   5.221  -6.713   9.894
  139    HD1  TYR  20           HD2      TYR  20   2.117  -7.167   7.862
  140    HD2  TYR  20           HD1      TYR  20   3.822  -5.758  11.545
  141    HE1  TYR  20           HE2      TYR  20  -0.065  -6.169   8.483
  142    HE2  TYR  20           HE1      TYR  20   1.639  -4.758  12.170
  143    HH   TYR  20           HH       TYR  20  -0.991  -5.421  11.349
  144    H    ARG  21           HN       ARG  21   4.183  -5.304   5.828
  145    HA   ARG  21           HA       ARG  21   5.239  -2.841   7.163
  146   1HB   ARG  21           HB2      ARG  21   4.928  -3.382   4.189
  147   2HB   ARG  21           HB1      ARG  21   5.664  -1.957   4.924
  148   1HG   ARG  21           HG2      ARG  21   6.742  -4.645   5.668
  149   2HG   ARG  21           HG1      ARG  21   7.167  -3.980   4.089
  150   1HD   ARG  21           HD2      ARG  21   7.643  -2.715   6.798
  151   2HD   ARG  21           HD1      ARG  21   8.861  -3.262   5.647
  152    HE   ARG  21           HE       ARG  21   7.573  -1.409   4.156
  153   1HH1  ARG  21          HH11      ARG  21   9.579  -1.393   6.859
  154   2HH1  ARG  21          HH12      ARG  21   9.413   0.300   7.185
  155   1HH2  ARG  21          HH21      ARG  21   6.926   0.782   4.817
  156   2HH2  ARG  21          HH22      ARG  21   7.910   1.532   6.028
  157    HA   PRO  22           HA       PRO  22   0.663  -2.573   6.798
  158   1HB   PRO  22           HB2      PRO  22   0.382  -1.226   9.200
  159   2HB   PRO  22           HB1      PRO  22   0.341  -2.996   9.026
  160   1HG   PRO  22           HG2      PRO  22   2.558  -1.247  10.023
  161   2HG   PRO  22           HG1      PRO  22   2.147  -2.910  10.483
  162   1HD   PRO  22           HD2      PRO  22   4.235  -2.234   8.764
  163   2HD   PRO  22           HD1      PRO  22   3.441  -3.824   8.799
  164    H    LEU  23           HN       LEU  23   0.403  -1.014   5.207
  165    HA   LEU  23           HA       LEU  23   1.201   1.771   5.949
  166   1HB   LEU  23           HB2      LEU  23   0.468   0.970   3.151
  167   2HB   LEU  23           HB1      LEU  23   1.620   2.190   3.696
  168    HG   LEU  23           HG       LEU  23   2.097  -0.746   4.198
  169   1HD1  LEU  23          HD11      LEU  23   2.710   0.871   1.736
  170   2HD1  LEU  23          HD13      LEU  23   3.632  -0.568   2.169
  171   3HD1  LEU  23          HD12      LEU  23   1.904  -0.692   1.848
  172   1HD2  LEU  23          HD21      LEU  23   3.372   1.087   5.412
  173   2HD2  LEU  23          HD23      LEU  23   4.367  -0.058   4.513
  174   3HD2  LEU  23          HD22      LEU  23   4.040   1.541   3.844
  175    H    CYS  24           HN       CYS  24  -0.550   3.017   6.549
  176    HA   CYS  24           HA       CYS  24  -3.245   2.010   5.955
  177   1HB   CYS  24           HB2      CYS  24  -2.665   3.254   8.102
  178   2HB   CYS  24           HB1      CYS  24  -2.575   4.699   7.147
  179    H    GLY  25           HN       GLY  25  -4.830   3.352   4.780
  180   1HA   GLY  25           HA2      GLY  25  -3.513   4.933   2.650
  181   2HA   GLY  25           HA1      GLY  25  -4.766   3.881   2.341
  182    H    SER  26           HN       SER  26  -5.046   6.441   1.466
  183    HA   SER  26           HA       SER  26  -6.142   8.224   3.435
  184   1HB   SER  26           HB2      SER  26  -7.085   8.426   0.605
  185   2HB   SER  26           HB1      SER  26  -6.451   9.673   1.674
  186    HG   SER  26           HG       SER  26  -4.389   8.535   1.446
  187    H    ASP  27           HN       ASP  27  -7.398   5.330   2.312
  188    HA   ASP  27           HA       ASP  27 -10.218   6.186   2.334
  189   1HB   ASP  27           HB2      ASP  27 -10.535   3.593   2.161
  190   2HB   ASP  27           HB1      ASP  27  -9.921   4.477   0.766
  191    H    ASN  28           HN       ASN  28  -7.945   5.506   4.655
  192    HA   ASN  28           HA       ASN  28  -8.256   5.404   6.991
  193   1HB   ASN  28           HB2      ASN  28 -11.145   4.662   6.564
  194   2HB   ASN  28           HB1      ASN  28 -10.406   5.474   7.945
  195   1HD2  ASN  28          HD22      ASN  28 -12.079   7.829   5.324
  196   2HD2  ASN  28          HD21      ASN  28 -12.564   6.262   5.765
  197    H    LYS  29           HN       LYS  29  -7.959   3.040   4.953
  198    HA   LYS  29           HA       LYS  29  -8.677   0.913   6.942
  199   1HB   LYS  29           HB2      LYS  29  -8.247  -0.533   4.702
  200   2HB   LYS  29           HB1      LYS  29  -9.830   0.113   5.132
  201   1HG   LYS  29           HG2      LYS  29  -9.223   2.189   3.812
  202   2HG   LYS  29           HG1      LYS  29  -7.811   1.310   3.227
  203   1HD   LYS  29           HD2      LYS  29  -9.457   0.940   1.564
  204   2HD   LYS  29           HD1      LYS  29  -9.473  -0.535   2.530
  205   1HE   LYS  29           HE2      LYS  29 -11.527  -0.072   3.457
  206   2HE   LYS  29           HE1      LYS  29 -11.278   1.672   3.399
  207   1HZ   LYS  29           HZ1      LYS  29 -11.472   1.470   0.927
  208   2HZ   LYS  29           HZ3      LYS  29 -11.986  -0.130   1.156
  209   3HZ   LYS  29           HZ2      LYS  29 -12.903   1.153   1.787
  210    H    THR  30           HN       THR  30  -7.075  -0.655   7.436
  211    HA   THR  30           HA       THR  30  -4.313   0.279   6.936
  212    HB   THR  30           HB       THR  30  -5.362  -1.971   8.681
  213    HG1  THR  30           HG1      THR  30  -5.922   0.050   9.470
  214   1HG2  THR  30          HG22      THR  30  -2.644  -1.039   7.932
  215   2HG2  THR  30          HG21      THR  30  -2.902  -1.404   9.638
  216   3HG2  THR  30          HG23      THR  30  -3.190  -2.644   8.416
  217    H    TYR  31           HN       TYR  31  -2.858  -0.808   5.662
  218    HA   TYR  31           HA       TYR  31  -3.870  -3.247   4.267
  219   1HB   TYR  31           HB2      TYR  31  -1.828  -1.144   3.495
  220   2HB   TYR  31           HB1      TYR  31  -2.039  -2.646   2.595
  221    HD1  TYR  31           HD2      TYR  31  -4.618  -3.242   2.102
  222    HD2  TYR  31           HD1      TYR  31  -3.055   0.701   2.773
  223    HE1  TYR  31           HE2      TYR  31  -6.576  -2.269   0.934
  224    HE2  TYR  31           HE1      TYR  31  -5.013   1.676   1.607
  225    HH   TYR  31           HH       TYR  31  -6.777   1.199   0.269
  226    H    GLY  32           HN       GLY  32  -3.085  -5.063   5.180
  227   1HA   GLY  32           HA2      GLY  32  -1.341  -5.521   7.154
  228   2HA   GLY  32           HA1      GLY  32  -1.393  -6.627   5.789
  229    H    ASN  33           HN       ASN  33  -0.091  -5.626   3.795
  230    HA   ASN  33           HA       ASN  33   2.372  -4.337   4.851
  231   1HB   ASN  33           HB2      ASN  33   3.822  -5.856   3.639
  232   2HB   ASN  33           HB1      ASN  33   2.791  -6.775   4.708
  233   1HD2  ASN  33          HD22      ASN  33   2.514  -8.630   1.589
  234   2HD2  ASN  33          HD21      ASN  33   3.578  -8.446   2.899
  235    H    LYS  34           HN       LYS  34   3.835  -4.367   2.547
  236    HA   LYS  34           HA       LYS  34   2.854  -2.128   1.190
  237   1HB   LYS  34           HB2      LYS  34   4.826  -2.240   0.043
  238   2HB   LYS  34           HB1      LYS  34   5.221  -3.375   1.313
  239   1HG   LYS  34           HG2      LYS  34   4.564  -5.254  -0.134
  240   2HG   LYS  34           HG1      LYS  34   4.133  -4.122  -1.419
  241   1HD   LYS  34           HD2      LYS  34   6.766  -3.463  -0.563
  242   2HD   LYS  34           HD1      LYS  34   6.715  -5.211  -0.794
  243   1HE   LYS  34           HE2      LYS  34   7.314  -4.160  -2.905
  244   2HE   LYS  34           HE1      LYS  34   5.689  -4.832  -3.047
  245   1HZ   LYS  34           HZ3      LYS  34   4.820  -2.606  -2.489
  246   2HZ   LYS  34           HZ2      LYS  34   6.406  -1.998  -2.528
  247   3HZ   LYS  34           HZ1      LYS  34   5.698  -2.629  -3.939
  248    H    CYS  35           HN       CYS  35   2.774  -5.553   0.051
  249    HA   CYS  35           HA       CYS  35   1.510  -5.042  -2.404
  250   1HB   CYS  35           HB2      CYS  35   2.334  -7.251  -1.974
  251   2HB   CYS  35           HB1      CYS  35   1.321  -7.415  -0.540
  252    H    ASN  36           HN       ASN  36   0.090  -5.365   0.825
  253    HA   ASN  36           HA       ASN  36  -2.643  -5.334  -0.101
  254   1HB   ASN  36           HB2      ASN  36  -1.291  -4.885   2.547
  255   2HB   ASN  36           HB1      ASN  36  -3.007  -4.517   2.363
  256   1HD2  ASN  36          HD22      ASN  36  -1.761  -8.427   2.176
  257   2HD2  ASN  36          HD21      ASN  36  -0.630  -7.178   1.986
  258    H    PHE  37           HN       PHE  37  -0.287  -2.835   0.687
  259    HA   PHE  37           HA       PHE  37  -2.222  -0.675   0.753
  260   1HB   PHE  37           HB2      PHE  37  -0.045  -0.404   1.789
  261   2HB   PHE  37           HB1      PHE  37   0.780  -0.586   0.369
  262    HD1  PHE  37           HD1      PHE  37  -2.321   1.241   1.070
  263    HD2  PHE  37           HD2      PHE  37   1.727   1.416  -0.241
  264    HE1  PHE  37           HE1      PHE  37  -2.654   3.623   0.422
  265    HE2  PHE  37           HE2      PHE  37   1.432   3.792  -0.903
  266    HZ   PHE  37           HZ       PHE  37  -0.770   4.895  -0.582
  267    H    CYS  38           HN       CYS  38   0.186  -1.643  -1.576
  268    HA   CYS  38           HA       CYS  38  -0.464   0.183  -3.635
  269   1HB   CYS  38           HB2      CYS  38   0.760  -2.585  -3.762
  270   2HB   CYS  38           HB1      CYS  38   0.605  -1.535  -5.170
  271    H    ASN  39           HN       ASN  39  -1.549  -3.217  -3.239
  272    HA   ASN  39           HA       ASN  39  -3.198  -3.462  -5.464
  273   1HB   ASN  39           HB2      ASN  39  -3.706  -4.372  -2.613
  274   2HB   ASN  39           HB1      ASN  39  -4.694  -4.879  -3.985
  275   1HD2  ASN  39          HD22      ASN  39  -2.373  -7.582  -4.171
  276   2HD2  ASN  39          HD21      ASN  39  -3.932  -7.130  -3.679
  277    H    ALA  40           HN       ALA  40  -3.629  -1.372  -2.715
  278    HA   ALA  40           HA       ALA  40  -6.434  -0.785  -3.333
  279   1HB   ALA  40           HB3      ALA  40  -5.372  -0.673  -1.013
  280   2HB   ALA  40           HB2      ALA  40  -4.556   0.794  -1.556
  281   3HB   ALA  40           HB1      ALA  40  -6.318   0.740  -1.483
  282    H    VAL  41           HN       VAL  41  -3.295   0.880  -3.616
  283    HA   VAL  41           HA       VAL  41  -4.228   3.282  -4.817
  284    HB   VAL  41           HB       VAL  41  -1.634   1.809  -5.380
  285   1HG1  VAL  41          HG11      VAL  41  -2.505   3.872  -6.783
  286   2HG1  VAL  41          HG13      VAL  41  -1.972   4.786  -5.372
  287   3HG1  VAL  41          HG12      VAL  41  -0.821   3.792  -6.265
  288   1HG2  VAL  41          HG23      VAL  41  -2.339   2.352  -2.917
  289   2HG2  VAL  41          HG22      VAL  41  -0.721   2.796  -3.458
  290   3HG2  VAL  41          HG21      VAL  41  -1.988   4.019  -3.368
  291    H    VAL  42           HN       VAL  42  -3.706   0.091  -6.097
  292    HA   VAL  42           HA       VAL  42  -3.992   0.919  -8.898
  293    HB   VAL  42           HB       VAL  42  -3.756  -1.515  -9.355
  294   1HG1  VAL  42          HG11      VAL  42  -1.849   0.229  -8.281
  295   2HG1  VAL  42          HG13      VAL  42  -1.616  -1.286  -7.409
  296   3HG1  VAL  42          HG12      VAL  42  -1.528  -1.261  -9.171
  297   1HG2  VAL  42          HG22      VAL  42  -3.812  -1.671  -6.341
  298   2HG2  VAL  42          HG21      VAL  42  -4.880  -2.495  -7.469
  299   3HG2  VAL  42          HG23      VAL  42  -3.186  -2.964  -7.350
  300    H    GLU  43           HN       GLU  43  -5.925  -0.406  -6.314
  301    HA   GLU  43           HA       GLU  43  -8.142  -1.052  -8.165
  302   1HB   GLU  43           HB2      GLU  43  -7.389  -2.269  -5.879
  303   2HB   GLU  43           HB1      GLU  43  -8.556  -1.136  -5.220
  304   1HG   GLU  43           HG2      GLU  43  -9.438  -2.501  -7.680
  305   2HG   GLU  43           HG1      GLU  43  -9.216  -3.565  -6.290
  306    H    SER  44           HN       SER  44  -6.997   1.748  -7.162
  307    HA   SER  44           HA       SER  44  -9.730   2.919  -6.844
  308   1HB   SER  44           HB2      SER  44  -8.780   4.565  -5.247
  309   2HB   SER  44           HB1      SER  44  -8.657   2.914  -4.643
  310    HG   SER  44           HG       SER  44  -6.637   3.541  -4.402
  311    H    ASN  45           HN       ASN  45  -7.346   2.685  -8.946
  312    HA   ASN  45           HA       ASN  45  -6.686   4.017 -10.758
  313   1HB   ASN  45           HB2      ASN  45  -9.107   5.385  -9.734
  314   2HB   ASN  45           HB1      ASN  45  -7.993   6.407 -10.634
  315   1HD2  ASN  45          HD22      ASN  45 -10.417   4.329 -12.839
  316   2HD2  ASN  45          HD21      ASN  45 -10.723   5.047 -11.332
  317    H    GLY  46           HN       GLY  46  -5.938   4.510  -7.676
  318   1HA   GLY  46           HA2      GLY  46  -4.014   5.604  -6.827
  319   2HA   GLY  46           HA1      GLY  46  -3.883   6.506  -8.332
  320    H    THR  47           HN       THR  47  -7.028   6.560  -7.045
  321    HA   THR  47           HA       THR  47  -6.757   9.405  -6.377
  322    HB   THR  47           HB       THR  47  -9.147   9.408  -6.182
  323    HG1  THR  47           HG1      THR  47 -10.296   7.467  -6.041
  324   1HG2  THR  47          HG23      THR  47  -7.852   8.556  -8.454
  325   2HG2  THR  47          HG22      THR  47  -9.083   7.311  -8.240
  326   3HG2  THR  47          HG21      THR  47  -9.555   9.006  -8.373
  327    H    LEU  48           HN       LEU  48  -6.156   6.579  -4.748
  328    HA   LEU  48           HA       LEU  48  -7.250   7.253  -2.152
  329   1HB   LEU  48           HB2      LEU  48  -7.014   4.965  -2.409
  330   2HB   LEU  48           HB1      LEU  48  -5.570   5.125  -3.401
  331    HG   LEU  48           HG       LEU  48  -4.878   6.109  -0.841
  332   1HD1  LEU  48          HD12      LEU  48  -7.007   4.878  -0.220
  333   2HD1  LEU  48          HD11      LEU  48  -6.127   3.403  -0.628
  334   3HD1  LEU  48          HD13      LEU  48  -5.542   4.450   0.665
  335   1HD2  LEU  48          HD22      LEU  48  -4.154   3.961  -2.704
  336   2HD2  LEU  48          HD21      LEU  48  -3.111   4.999  -1.731
  337   3HD2  LEU  48          HD23      LEU  48  -3.838   3.561  -1.016
  338    H    THR  49           HN       THR  49  -3.935   6.469  -2.829
  339    HA   THR  49           HA       THR  49  -1.948   7.705  -2.590
  340    HB   THR  49           HB       THR  49  -1.893   9.878  -1.822
  341    HG1  THR  49           HG1      THR  49  -2.827  10.134   0.030
  342   1HG2  THR  49          HG22      THR  49  -3.942   9.205  -3.640
  343   2HG2  THR  49          HG21      THR  49  -4.589  10.474  -2.602
  344   3HG2  THR  49          HG23      THR  49  -3.096  10.746  -3.501
  345    H    LEU  50           HN       LEU  50  -0.461   7.310  -0.969
  346    HA   LEU  50           HA       LEU  50  -1.253   5.595   1.133
  347   1HB   LEU  50           HB2      LEU  50   0.988   5.408   0.458
  348   2HB   LEU  50           HB1      LEU  50   1.229   7.151   0.425
  349    HG   LEU  50           HG       LEU  50   0.901   7.052   2.991
  350   1HD1  LEU  50          HD12      LEU  50   0.017   4.686   2.896
  351   2HD1  LEU  50          HD11      LEU  50   1.646   4.164   2.465
  352   3HD1  LEU  50          HD13      LEU  50   1.347   4.922   4.030
  353   1HD2  LEU  50          HD23      LEU  50   3.060   7.226   1.506
  354   2HD2  LEU  50          HD22      LEU  50   3.214   6.889   3.231
  355   3HD2  LEU  50          HD21      LEU  50   3.342   5.575   2.060
  356    H    SER  51           HN       SER  51  -1.306   6.102   3.438
  357    HA   SER  51           HA       SER  51  -2.146   8.856   3.992
  358   1HB   SER  51           HB2      SER  51  -3.325   7.890   5.722
  359   2HB   SER  51           HB1      SER  51  -3.549   6.690   4.554
  360    HG   SER  51           HG       SER  51  -2.566   6.497   6.931
  361    H    HIS  52           HN       HIS  52  -0.290   6.202   5.383
  362    HA   HIS  52           HA       HIS  52   2.009   7.799   6.073
  363   1HB   HIS  52           HB2      HIS  52   1.777   7.765   8.501
  364   2HB   HIS  52           HB1      HIS  52   0.338   8.539   7.830
  365    HD1  HIS  52           HD1      HIS  52   0.316   6.969  10.595
  366    HD2  HIS  52           HD2      HIS  52  -0.887   5.422   6.913
  367    HE1  HIS  52           HE1      HIS  52  -1.228   5.016  11.091
  368    H    PHE  53           HN       PHE  53   3.706   6.386   6.937
  369    HA   PHE  53           HA       PHE  53   3.307   3.593   6.204
  370   1HB   PHE  53           HB2      PHE  53   5.650   5.004   7.501
  371   2HB   PHE  53           HB1      PHE  53   5.651   3.322   6.972
  372    HD1  PHE  53           HD1      PHE  53   5.502   2.744   4.569
  373    HD2  PHE  53           HD2      PHE  53   5.684   6.821   5.908
  374    HE1  PHE  53           HE1      PHE  53   6.039   3.482   2.262
  375    HE2  PHE  53           HE2      PHE  53   6.222   7.555   3.608
  376    HZ   PHE  53           HZ       PHE  53   6.400   5.887   1.781
  377    H    GLY  54           HN       GLY  54   2.142   2.365   7.563
  378   1HA   GLY  54           HA2      GLY  54   2.793   1.223   9.870
  379   2HA   GLY  54           HA1      GLY  54   2.256   2.776  10.461
  380    H    LYS  55           HN       LYS  55   0.723   1.006  11.432
  381    HA   LYS  55           HA       LYS  55  -1.513   0.337   9.637
  382   1HB   LYS  55           HB2      LYS  55  -2.370  -0.231  12.228
  383   2HB   LYS  55           HB1      LYS  55  -1.669  -1.383  11.097
  384   1HG   LYS  55           HG2      LYS  55   0.577  -0.899  11.981
  385   2HG   LYS  55           HG1      LYS  55  -0.112   0.279  13.100
  386   1HD   LYS  55           HD2      LYS  55  -1.222  -1.383  14.355
  387   2HD   LYS  55           HD1      LYS  55  -1.078  -2.576  13.065
  388   1HE   LYS  55           HE2      LYS  55   0.811  -3.325  14.029
  389   2HE   LYS  55           HE1      LYS  55   1.559  -1.766  13.686
  390   1HZ   LYS  55           HZ3      LYS  55  -0.216  -1.920  15.996
  391   2HZ   LYS  55           HZ2      LYS  55   1.294  -2.688  16.129
  392   3HZ   LYS  55           HZ1      LYS  55   1.210  -1.027  15.780
  393    H    CYS  56           HN       CYS  56  -3.495   1.377   9.632
  394    HA   CYS  56           HA       CYS  56  -3.746   4.070  10.179
  395   1HB   CYS  56           HB2      CYS  56  -6.044   2.161  10.665
  396   2HB   CYS  56           HB1      CYS  56  -6.123   3.822  10.080
   
  No H/Q in entry =         396
  Start of MODEL          43
 Raw file had  401 H/Q atoms
  Start of MODEL   43
    1   1H    LEU   1           HT1      LEU   1  13.892   6.125  -2.210
    2   2H    LEU   1           HT3      LEU   1  15.197   5.864  -3.262
    3   3H    LEU   1           HT2      LEU   1  15.455   5.909  -1.584
    4    HA   LEU   1           HA       LEU   1  16.190   7.979  -2.317
    5   1HB   LEU   1           HB2      LEU   1  14.976   9.336  -3.912
    6   2HB   LEU   1           HB1      LEU   1  15.133   7.715  -4.590
    7    HG   LEU   1           HG       LEU   1  12.705   8.545  -2.996
    8   1HD1  LEU   1          HD12      LEU   1  13.140   8.742  -5.993
    9   2HD1  LEU   1          HD11      LEU   1  11.595   8.970  -5.173
   10   3HD1  LEU   1          HD13      LEU   1  12.920  10.099  -4.888
   11   1HD2  LEU   1          HD21      LEU   1  13.630   6.179  -4.466
   12   2HD2  LEU   1          HD23      LEU   1  12.350   6.321  -3.261
   13   3HD2  LEU   1          HD22      LEU   1  12.018   6.703  -4.950
   14    H    ALA   2           HN       ALA   2  14.109  10.118  -2.414
   15    HA   ALA   2           HA       ALA   2  13.367   9.974   0.461
   16   1HB   ALA   2           HB3      ALA   2  14.641  11.957  -0.399
   17   2HB   ALA   2           HB2      ALA   2  13.259  12.347  -1.423
   18   3HB   ALA   2           HB1      ALA   2  13.094  12.386   0.332
   19    H    ALA   3           HN       ALA   3  11.265  11.959   0.225
   20    HA   ALA   3           HA       ALA   3   8.981  12.148  -0.331
   21   1HB   ALA   3           HB2      ALA   3   9.903  11.326  -2.642
   22   2HB   ALA   3           HB1      ALA   3   9.216   9.773  -2.162
   23   3HB   ALA   3           HB3      ALA   3   8.175  11.190  -2.310
   24    H    VAL   4           HN       VAL   4   7.210  11.279   0.729
   25    HA   VAL   4           HA       VAL   4   7.657   8.646   2.057
   26    HB   VAL   4           HB       VAL   4   5.791  10.939   2.736
   27   1HG1  VAL   4          HG11      VAL   4   6.235   8.261   4.089
   28   2HG1  VAL   4          HG13      VAL   4   5.324   9.597   4.792
   29   3HG1  VAL   4          HG12      VAL   4   4.747   8.814   3.321
   30   1HG2  VAL   4          HG21      VAL   4   8.255  11.228   3.210
   31   2HG2  VAL   4          HG23      VAL   4   7.237  11.263   4.650
   32   3HG2  VAL   4          HG22      VAL   4   8.161   9.812   4.257
   33    H    SER   5           HN       SER   5   6.949   7.401   0.194
   34    HA   SER   5           HA       SER   5   4.121   6.853   0.188
   35   1HB   SER   5           HB2      SER   5   3.608   7.573  -2.111
   36   2HB   SER   5           HB1      SER   5   4.077   8.953  -1.121
   37    HG   SER   5           HG       SER   5   5.505   7.604  -3.136
   38    H    VAL   6           HN       VAL   6   3.695   4.884  -0.886
   39    HA   VAL   6           HA       VAL   6   6.068   3.296  -1.535
   40    HB   VAL   6           HB       VAL   6   3.132   2.554  -1.741
   41   1HG1  VAL   6          HG12      VAL   6   5.725   1.040  -1.927
   42   2HG1  VAL   6          HG11      VAL   6   4.284   0.234  -1.308
   43   3HG1  VAL   6          HG13      VAL   6   4.287   0.907  -2.939
   44   1HG2  VAL   6          HG22      VAL   6   5.128   2.455   0.523
   45   2HG2  VAL   6          HG21      VAL   6   3.488   3.103   0.535
   46   3HG2  VAL   6          HG23      VAL   6   3.747   1.359   0.472
   47    H    ASP   7           HN       ASP   7   6.130   2.022  -3.615
   48    HA   ASP   7           HA       ASP   7   5.274   3.774  -5.871
   49   1HB   ASP   7           HB2      ASP   7   7.735   3.076  -5.505
   50   2HB   ASP   7           HB1      ASP   7   7.227   1.480  -6.058
   51    H    CYS   8           HN       CYS   8   3.599   3.073  -7.115
   52    HA   CYS   8           HA       CYS   8   2.813   0.204  -6.882
   53   1HB   CYS   8           HB2      CYS   8   1.299   2.734  -7.408
   54   2HB   CYS   8           HB1      CYS   8   0.664   1.209  -8.026
   55    H    SER   9           HN       SER   9   4.961   1.216  -8.665
   56    HA   SER   9           HA       SER   9   3.780   1.084 -11.361
   57   1HB   SER   9           HB2      SER   9   5.758   2.566 -10.751
   58   2HB   SER   9           HB1      SER   9   6.717   1.093 -10.627
   59    HG   SER   9           HG       SER   9   5.173   1.757 -12.909
   60    H    GLU  10           HN       GLU  10   4.081  -1.196  -9.209
   61    HA   GLU  10           HA       GLU  10   4.852  -3.255 -11.220
   62   1HB   GLU  10           HB2      GLU  10   5.680  -3.384  -8.306
   63   2HB   GLU  10           HB1      GLU  10   6.157  -4.480  -9.604
   64   1HG   GLU  10           HG2      GLU  10   8.011  -3.135  -9.653
   65   2HG   GLU  10           HG1      GLU  10   6.974  -2.141 -10.678
   66    H    TYR  11           HN       TYR  11   2.322  -2.146 -10.017
   67    HA   TYR  11           HA       TYR  11   1.220  -4.704  -8.987
   68   1HB   TYR  11           HB2      TYR  11   0.704  -1.841  -8.140
   69   2HB   TYR  11           HB1      TYR  11  -0.390  -3.151  -7.708
   70    HD1  TYR  11           HD1      TYR  11   0.418  -5.046  -6.280
   71    HD2  TYR  11           HD2      TYR  11   2.868  -1.625  -7.130
   72    HE1  TYR  11           HE1      TYR  11   1.954  -5.677  -4.432
   73    HE2  TYR  11           HE2      TYR  11   4.398  -2.256  -5.288
   74    HH   TYR  11           HH       TYR  11   4.623  -3.582  -3.462
   75    HA   PRO  12           HA       PRO  12  -0.903  -4.797  -8.215
   76   1HB   PRO  12           HB2      PRO  12  -2.957  -6.503  -8.904
   77   2HB   PRO  12           HB1      PRO  12  -3.206  -4.820  -8.415
   78   1HG   PRO  12           HG2      PRO  12  -3.478  -6.025 -11.100
   79   2HG   PRO  12           HG1      PRO  12  -4.099  -4.477 -10.505
   80   1HD   PRO  12           HD2      PRO  12  -1.752  -4.947 -12.089
   81   2HD   PRO  12           HD1      PRO  12  -2.370  -3.396 -11.597
   82    H    LYS  13           HN       LYS  13  -0.468  -6.986  -7.439
   83    HA   LYS  13           HA       LYS  13   0.686  -8.811  -9.512
   84   1HB   LYS  13           HB2      LYS  13   1.815  -7.932  -6.854
   85   2HB   LYS  13           HB1      LYS  13   2.360  -9.395  -7.662
   86   1HG   LYS  13           HG2      LYS  13   2.988  -8.099  -9.647
   87   2HG   LYS  13           HG1      LYS  13   2.389  -6.626  -8.884
   88   1HD   LYS  13           HD2      LYS  13   4.648  -6.476  -8.368
   89   2HD   LYS  13           HD1      LYS  13   4.050  -7.338  -6.949
   90   1HE   LYS  13           HE2      LYS  13   4.584  -9.499  -8.176
   91   2HE   LYS  13           HE1      LYS  13   5.423  -8.514  -9.375
   92   1HZ   LYS  13           HZ1      LYS  13   6.015  -8.447  -6.469
   93   2HZ   LYS  13           HZ3      LYS  13   6.878  -9.385  -7.588
   94   3HZ   LYS  13           HZ2      LYS  13   6.893  -7.691  -7.712
   95    HA   PRO  14           HA       PRO  14  -1.938 -11.710  -7.428
   96   1HB   PRO  14           HB2      PRO  14  -1.067 -13.952  -8.763
   97   2HB   PRO  14           HB1      PRO  14  -2.180 -12.761  -9.458
   98   1HG   PRO  14           HG2      PRO  14   0.699 -13.207 -10.057
   99   2HG   PRO  14           HG1      PRO  14  -0.558 -12.481 -11.072
  100   1HD   PRO  14           HD2      PRO  14   1.438 -11.092  -9.651
  101   2HD   PRO  14           HD1      PRO  14   0.037 -10.374 -10.396
  102    H    ALA  15           HN       ALA  15   1.092 -11.163  -6.663
  103    HA   ALA  15           HA       ALA  15   1.200 -13.370  -4.686
  104   1HB   ALA  15           HB1      ALA  15   2.657 -13.841  -6.787
  105   2HB   ALA  15           HB3      ALA  15   3.698 -12.558  -6.171
  106   3HB   ALA  15           HB2      ALA  15   3.416 -14.006  -5.204
  107    H    CYS  16           HN       CYS  16   0.974 -12.079  -2.885
  108    HA   CYS  16           HA       CYS  16   2.476  -9.526  -2.749
  109   1HB   CYS  16           HB2      CYS  16   0.373 -10.758  -0.944
  110   2HB   CYS  16           HB1      CYS  16   1.182  -9.230  -0.603
  111    H    THR  17           HN       THR  17   4.234  -9.235  -1.418
  112    HA   THR  17           HA       THR  17   5.687 -11.473  -0.430
  113    HB   THR  17           HB       THR  17   6.706  -9.499   1.084
  114    HG1  THR  17           HG1      THR  17   5.153  -7.991   0.585
  115   1HG2  THR  17          HG21      THR  17   7.065 -10.382  -1.706
  116   2HG2  THR  17          HG23      THR  17   7.744  -8.795  -1.349
  117   3HG2  THR  17          HG22      THR  17   8.257 -10.203  -0.419
  118    H    LEU  18           HN       LEU  18   6.263 -11.637   2.036
  119    HA   LEU  18           HA       LEU  18   3.673 -11.744   3.459
  120   1HB   LEU  18           HB2      LEU  18   6.126 -12.833   4.743
  121   2HB   LEU  18           HB1      LEU  18   4.503 -13.507   4.671
  122    HG   LEU  18           HG       LEU  18   5.709 -14.969   3.324
  123   1HD1  LEU  18          HD13      LEU  18   3.850 -13.382   2.081
  124   2HD1  LEU  18          HD12      LEU  18   5.227 -13.281   0.986
  125   3HD1  LEU  18          HD11      LEU  18   4.545 -14.853   1.401
  126   1HD2  LEU  18          HD23      LEU  18   7.464 -12.706   3.009
  127   2HD2  LEU  18          HD22      LEU  18   7.815 -14.421   2.797
  128   3HD2  LEU  18          HD21      LEU  18   7.173 -13.479   1.452
  129    H    GLU  19           HN       GLU  19   6.628  -9.959   3.417
  130    HA   GLU  19           HA       GLU  19   7.067  -9.117   6.007
  131   1HB   GLU  19           HB2      GLU  19   6.878  -7.348   3.547
  132   2HB   GLU  19           HB1      GLU  19   7.622  -6.868   5.073
  133   1HG   GLU  19           HG2      GLU  19   9.544  -7.804   4.372
  134   2HG   GLU  19           HG1      GLU  19   8.743  -9.373   4.423
  135    H    TYR  20           HN       TYR  20   5.983  -7.826   7.518
  136    HA   TYR  20           HA       TYR  20   3.170  -7.175   6.805
  137   1HB   TYR  20           HB2      TYR  20   3.414  -8.567   8.784
  138   2HB   TYR  20           HB1      TYR  20   4.534  -7.408   9.501
  139    HD1  TYR  20           HD2      TYR  20   1.109  -7.472   7.961
  140    HD2  TYR  20           HD1      TYR  20   3.666  -5.860  11.013
  141    HE1  TYR  20           HE2      TYR  20  -0.803  -6.193   8.887
  142    HE2  TYR  20           HE1      TYR  20   1.753  -4.581  11.940
  143    HH   TYR  20           HH       TYR  20  -1.496  -4.824  10.482
  144    H    ARG  21           HN       ARG  21   3.317  -5.174   5.816
  145    HA   ARG  21           HA       ARG  21   4.415  -2.963   7.509
  146   1HB   ARG  21           HB2      ARG  21   4.180  -2.831   4.501
  147   2HB   ARG  21           HB1      ARG  21   5.165  -1.830   5.569
  148   1HG   ARG  21           HG2      ARG  21   6.054  -4.410   6.106
  149   2HG   ARG  21           HG1      ARG  21   5.790  -4.421   4.362
  150   1HD   ARG  21           HD2      ARG  21   7.132  -2.005   5.434
  151   2HD   ARG  21           HD1      ARG  21   8.068  -3.498   5.517
  152    HE   ARG  21           HE       ARG  21   6.897  -3.230   2.908
  153   1HH1  ARG  21          HH21      ARG  21   8.072  -0.479   3.518
  154   2HH1  ARG  21          HH22      ARG  21   9.672  -0.651   2.876
  155   1HH2  ARG  21          HH11      ARG  21   9.516  -4.112   2.704
  156   2HH2  ARG  21          HH12      ARG  21  10.489  -2.710   2.414
  157    HA   PRO  22           HA       PRO  22  -0.050  -2.321   7.141
  158   1HB   PRO  22           HB2      PRO  22  -0.213  -0.808   9.451
  159   2HB   PRO  22           HB1      PRO  22  -0.313  -2.589   9.404
  160   1HG   PRO  22           HG2      PRO  22   1.986  -0.849  10.223
  161   2HG   PRO  22           HG1      PRO  22   1.539  -2.466  10.795
  162   1HD   PRO  22           HD2      PRO  22   3.589  -1.942   8.965
  163   2HD   PRO  22           HD1      PRO  22   2.784  -3.515   9.159
  164    H    LEU  23           HN       LEU  23   0.042  -0.902   5.305
  165    HA   LEU  23           HA       LEU  23   0.968   1.875   5.837
  166   1HB   LEU  23           HB2      LEU  23  -0.032   0.728   3.219
  167   2HB   LEU  23           HB1      LEU  23   0.999   2.140   3.463
  168    HG   LEU  23           HG       LEU  23   2.094  -0.319   4.638
  169   1HD1  LEU  23          HD11      LEU  23   1.484  -0.132   1.690
  170   2HD1  LEU  23          HD13      LEU  23   2.844  -1.079   2.293
  171   3HD1  LEU  23          HD12      LEU  23   1.201  -1.486   2.786
  172   1HD2  LEU  23          HD22      LEU  23   3.156   2.002   4.204
  173   2HD2  LEU  23          HD21      LEU  23   4.117   0.572   3.827
  174   3HD2  LEU  23          HD23      LEU  23   3.310   1.458   2.533
  175    H    CYS  24           HN       CYS  24  -0.566   3.367   6.382
  176    HA   CYS  24           HA       CYS  24  -3.389   2.556   6.065
  177   1HB   CYS  24           HB2      CYS  24  -1.956   4.232   7.912
  178   2HB   CYS  24           HB1      CYS  24  -3.289   5.134   7.217
  179    H    GLY  25           HN       GLY  25  -4.611   3.202   4.449
  180   1HA   GLY  25           HA2      GLY  25  -3.807   4.640   2.219
  181   2HA   GLY  25           HA1      GLY  25  -5.413   4.515   2.725
  182    H    SER  26           HN       SER  26  -4.970   6.934   1.624
  183    HA   SER  26           HA       SER  26  -4.191   8.766   3.835
  184   1HB   SER  26           HB2      SER  26  -3.648   9.162   1.342
  185   2HB   SER  26           HB1      SER  26  -5.350   9.573   1.152
  186    HG   SER  26           HG       SER  26  -3.417  10.799   2.830
  187    H    ASP  27           HN       ASP  27  -6.775   6.951   3.375
  188    HA   ASP  27           HA       ASP  27  -8.713   9.069   4.202
  189   1HB   ASP  27           HB2      ASP  27 -10.479   7.689   3.265
  190   2HB   ASP  27           HB1      ASP  27  -9.235   7.900   2.032
  191    H    ASN  28           HN       ASN  28  -7.350   5.906   4.824
  192    HA   ASN  28           HA       ASN  28  -7.151   5.438   7.343
  193   1HB   ASN  28           HB2      ASN  28  -9.116   6.735   8.004
  194   2HB   ASN  28           HB1      ASN  28 -10.165   5.673   7.064
  195   1HD2  ASN  28          HD22      ASN  28  -8.691   4.389  10.671
  196   2HD2  ASN  28          HD21      ASN  28  -7.999   5.741   9.913
  197    H    LYS  29           HN       LYS  29  -6.861   4.004   4.922
  198    HA   LYS  29           HA       LYS  29  -8.376   1.488   5.515
  199   1HB   LYS  29           HB2      LYS  29  -8.384   2.823   3.157
  200   2HB   LYS  29           HB1      LYS  29  -6.991   1.770   2.906
  201   1HG   LYS  29           HG2      LYS  29  -8.387   0.064   2.467
  202   2HG   LYS  29           HG1      LYS  29  -9.012   0.183   4.113
  203   1HD   LYS  29           HD2      LYS  29 -10.078   2.285   2.396
  204   2HD   LYS  29           HD1      LYS  29 -10.452   0.675   1.776
  205   1HE   LYS  29           HE2      LYS  29 -12.027   0.414   3.359
  206   2HE   LYS  29           HE1      LYS  29 -10.819   0.664   4.619
  207   1HZ   LYS  29           HZ2      LYS  29 -11.093   3.112   4.136
  208   2HZ   LYS  29           HZ1      LYS  29 -12.484   2.695   3.256
  209   3HZ   LYS  29           HZ3      LYS  29 -12.396   2.351   4.916
  210    H    THR  30           HN       THR  30  -6.888   0.606   6.996
  211    HA   THR  30           HA       THR  30  -4.037   0.555   6.519
  212    HB   THR  30           HB       THR  30  -5.809  -1.043   8.384
  213    HG1  THR  30           HG1      THR  30  -5.618   0.673   9.544
  214   1HG2  THR  30          HG21      THR  30  -2.933  -1.244   7.735
  215   2HG2  THR  30          HG23      THR  30  -3.307  -1.157   9.456
  216   3HG2  THR  30          HG22      THR  30  -4.010  -2.435   8.465
  217    H    TYR  31           HN       TYR  31  -2.811  -0.952   5.484
  218    HA   TYR  31           HA       TYR  31  -4.143  -3.462   4.561
  219   1HB   TYR  31           HB2      TYR  31  -2.583  -1.435   3.010
  220   2HB   TYR  31           HB1      TYR  31  -2.396  -3.137   2.577
  221    HD1  TYR  31           HD2      TYR  31  -4.567  -4.520   2.227
  222    HD2  TYR  31           HD1      TYR  31  -4.484  -0.227   2.275
  223    HE1  TYR  31           HE2      TYR  31  -6.747  -4.464   1.053
  224    HE2  TYR  31           HE1      TYR  31  -6.666  -0.172   1.107
  225    HH   TYR  31           HH       TYR  31  -8.576  -1.557   0.721
  226    H    GLY  32           HN       GLY  32  -2.947  -5.304   4.944
  227   1HA   GLY  32           HA2      GLY  32  -1.066  -5.401   6.928
  228   2HA   GLY  32           HA1      GLY  32  -1.142  -6.629   5.697
  229    H    ASN  33           HN       ASN  33  -0.146  -5.379   3.450
  230    HA   ASN  33           HA       ASN  33   2.369  -4.077   4.334
  231   1HB   ASN  33           HB2      ASN  33   3.739  -5.573   2.927
  232   2HB   ASN  33           HB1      ASN  33   2.944  -6.418   4.228
  233   1HD2  ASN  33          HD22      ASN  33   2.422  -8.465   1.201
  234   2HD2  ASN  33          HD21      ASN  33   3.734  -7.999   2.165
  235    H    LYS  34           HN       LYS  34   3.716  -4.010   2.008
  236    HA   LYS  34           HA       LYS  34   2.494  -1.851   0.646
  237   1HB   LYS  34           HB2      LYS  34   4.423  -2.349  -0.985
  238   2HB   LYS  34           HB1      LYS  34   4.840  -1.900   0.656
  239   1HG   LYS  34           HG2      LYS  34   5.486  -4.057   1.222
  240   2HG   LYS  34           HG1      LYS  34   4.450  -4.807   0.001
  241   1HD   LYS  34           HD2      LYS  34   6.344  -3.106  -1.326
  242   2HD   LYS  34           HD1      LYS  34   7.221  -4.149  -0.207
  243   1HE   LYS  34           HE2      LYS  34   5.294  -5.806  -1.412
  244   2HE   LYS  34           HE1      LYS  34   5.957  -4.831  -2.722
  245   1HZ   LYS  34           HZ1      LYS  34   7.710  -6.146  -0.741
  246   2HZ   LYS  34           HZ3      LYS  34   7.164  -6.971  -2.119
  247   3HZ   LYS  34           HZ2      LYS  34   8.106  -5.568  -2.288
  248    H    CYS  35           HN       CYS  35   2.567  -5.327  -0.101
  249    HA   CYS  35           HA       CYS  35   1.535  -4.902  -2.786
  250   1HB   CYS  35           HB2      CYS  35   2.829  -6.934  -2.230
  251   2HB   CYS  35           HB1      CYS  35   1.565  -7.424  -1.100
  252    H    ASN  36           HN       ASN  36   0.179  -5.342   0.401
  253    HA   ASN  36           HA       ASN  36  -2.527  -5.832  -0.633
  254   1HB   ASN  36           HB2      ASN  36  -1.221  -5.716   2.027
  255   2HB   ASN  36           HB1      ASN  36  -2.921  -5.267   1.975
  256   1HD2  ASN  36          HD22      ASN  36  -1.835  -9.138   1.533
  257   2HD2  ASN  36          HD21      ASN  36  -0.696  -7.907   1.785
  258    H    PHE  37           HN       PHE  37  -0.538  -3.158   0.316
  259    HA   PHE  37           HA       PHE  37  -2.782  -1.285   0.641
  260   1HB   PHE  37           HB2      PHE  37  -0.607  -1.107   1.845
  261   2HB   PHE  37           HB1      PHE  37   0.178  -0.648   0.449
  262    HD1  PHE  37           HD1      PHE  37  -2.752   0.383   2.479
  263    HD2  PHE  37           HD2      PHE  37   0.282   1.431  -0.327
  264    HE1  PHE  37           HE1      PHE  37  -3.491   2.745   2.585
  265    HE2  PHE  37           HE2      PHE  37  -0.421   3.797  -0.244
  266    HZ   PHE  37           HZ       PHE  37  -2.303   4.477   1.219
  267    H    CYS  38           HN       CYS  38  -0.339  -2.104  -1.630
  268    HA   CYS  38           HA       CYS  38  -1.093   0.048  -3.467
  269   1HB   CYS  38           HB2      CYS  38   1.233  -0.724  -3.503
  270   2HB   CYS  38           HB1      CYS  38   0.713  -2.338  -3.992
  271    H    ASN  39           HN       ASN  39  -1.839  -3.394  -3.098
  272    HA   ASN  39           HA       ASN  39  -3.056  -3.784  -5.658
  273   1HB   ASN  39           HB2      ASN  39  -3.458  -5.019  -2.934
  274   2HB   ASN  39           HB1      ASN  39  -4.575  -5.408  -4.243
  275   1HD2  ASN  39          HD22      ASN  39  -1.552  -7.734  -4.227
  276   2HD2  ASN  39          HD21      ASN  39  -2.579  -7.226  -2.975
  277    H    ALA  40           HN       ALA  40  -3.910  -1.908  -2.917
  278    HA   ALA  40           HA       ALA  40  -6.734  -1.625  -3.718
  279   1HB   ALA  40           HB1      ALA  40  -5.075  -0.312  -1.536
  280   2HB   ALA  40           HB3      ALA  40  -6.795  -0.015  -1.788
  281   3HB   ALA  40           HB2      ALA  40  -6.237  -1.621  -1.320
  282    H    VAL  41           HN       VAL  41  -3.676   0.104  -3.752
  283    HA   VAL  41           HA       VAL  41  -4.681   2.609  -4.781
  284    HB   VAL  41           HB       VAL  41  -1.940   1.316  -4.944
  285   1HG1  VAL  41          HG11      VAL  41  -2.937   4.072  -5.663
  286   2HG1  VAL  41          HG13      VAL  41  -1.247   3.770  -5.260
  287   3HG1  VAL  41          HG12      VAL  41  -1.981   2.964  -6.646
  288   1HG2  VAL  41          HG21      VAL  41  -3.235   3.256  -3.017
  289   2HG2  VAL  41          HG23      VAL  41  -2.508   1.692  -2.655
  290   3HG2  VAL  41          HG22      VAL  41  -1.486   3.050  -3.120
  291    H    VAL  42           HN       VAL  42  -4.000  -0.467  -6.182
  292    HA   VAL  42           HA       VAL  42  -3.836   0.604  -8.921
  293    HB   VAL  42           HB       VAL  42  -3.425  -1.750  -9.560
  294   1HG1  VAL  42          HG11      VAL  42  -1.680  -0.127  -8.383
  295   2HG1  VAL  42          HG13      VAL  42  -1.736  -1.366  -7.129
  296   3HG1  VAL  42          HG12      VAL  42  -1.256  -1.795  -8.772
  297   1HG2  VAL  42          HG22      VAL  42  -4.232  -2.195  -6.719
  298   2HG2  VAL  42          HG21      VAL  42  -4.641  -3.132  -8.153
  299   3HG2  VAL  42          HG23      VAL  42  -3.036  -3.267  -7.437
  300    H    GLU  43           HN       GLU  43  -6.025  -1.322  -6.891
  301    HA   GLU  43           HA       GLU  43  -7.961  -1.486  -9.124
  302   1HB   GLU  43           HB2      GLU  43  -7.406  -3.238  -7.088
  303   2HB   GLU  43           HB1      GLU  43  -8.810  -2.401  -6.455
  304   1HG   GLU  43           HG2      GLU  43  -9.342  -2.915  -9.191
  305   2HG   GLU  43           HG1      GLU  43  -8.714  -4.411  -8.496
  306    H    SER  44           HN       SER  44  -7.141   0.997  -7.358
  307    HA   SER  44           HA       SER  44  -9.976   1.827  -6.870
  308   1HB   SER  44           HB2      SER  44  -9.333   3.000  -4.900
  309   2HB   SER  44           HB1      SER  44  -8.559   1.422  -4.777
  310    HG   SER  44           HG       SER  44  -7.156   3.233  -4.340
  311    H    ASN  45           HN       ASN  45  -7.609   2.267  -8.977
  312    HA   ASN  45           HA       ASN  45  -7.273   4.000 -10.543
  313   1HB   ASN  45           HB2      ASN  45  -9.746   4.598  -9.519
  314   2HB   ASN  45           HB1      ASN  45  -8.830   6.040  -9.090
  315   1HD2  ASN  45          HD22      ASN  45  -7.936   6.333 -12.751
  316   2HD2  ASN  45          HD21      ASN  45  -7.017   5.972 -11.374
  317    H    GLY  46           HN       GLY  46  -6.414   3.955  -7.351
  318   1HA   GLY  46           HA2      GLY  46  -4.423   4.878  -6.437
  319   2HA   GLY  46           HA1      GLY  46  -4.337   5.994  -7.797
  320    H    THR  47           HN       THR  47  -7.431   5.840  -6.361
  321    HA   THR  47           HA       THR  47  -7.127   8.577  -5.342
  322    HB   THR  47           HB       THR  47  -9.203   7.969  -6.484
  323    HG1  THR  47           HG1      THR  47  -9.373   9.449  -4.784
  324   1HG2  THR  47          HG21      THR  47  -8.884   5.564  -5.005
  325   2HG2  THR  47          HG23      THR  47 -10.410   6.288  -4.499
  326   3HG2  THR  47          HG22      THR  47 -10.122   5.939  -6.203
  327    H    LEU  48           HN       LEU  48  -6.479   5.545  -4.118
  328    HA   LEU  48           HA       LEU  48  -7.401   5.961  -1.384
  329   1HB   LEU  48           HB2      LEU  48  -7.278   3.691  -1.913
  330   2HB   LEU  48           HB1      LEU  48  -5.812   3.893  -2.866
  331    HG   LEU  48           HG       LEU  48  -4.494   4.205  -0.828
  332   1HD1  LEU  48          HD11      LEU  48  -7.181   4.504   0.323
  333   2HD1  LEU  48          HD13      LEU  48  -6.097   3.495   1.279
  334   3HD1  LEU  48          HD12      LEU  48  -5.639   5.151   0.882
  335   1HD2  LEU  48          HD22      LEU  48  -5.866   1.832  -1.573
  336   2HD2  LEU  48          HD21      LEU  48  -4.328   1.965  -0.719
  337   3HD2  LEU  48          HD23      LEU  48  -5.838   1.879   0.190
  338    H    THR  49           HN       THR  49  -4.138   5.348  -2.545
  339    HA   THR  49           HA       THR  49  -2.071   6.226  -1.933
  340    HB   THR  49           HB       THR  49  -1.931   8.541  -1.879
  341    HG1  THR  49           HG1      THR  49  -3.322   9.810  -0.781
  342   1HG2  THR  49          HG23      THR  49  -3.187   7.858  -3.888
  343   2HG2  THR  49          HG22      THR  49  -4.700   8.063  -3.006
  344   3HG2  THR  49          HG21      THR  49  -3.679   9.460  -3.342
  345    H    LEU  50           HN       LEU  50  -1.046   7.362   0.194
  346    HA   LEU  50           HA       LEU  50  -2.588   6.324   2.489
  347   1HB   LEU  50           HB2      LEU  50  -0.998   4.808   2.826
  348   2HB   LEU  50           HB1      LEU  50  -0.196   5.346   1.366
  349    HG   LEU  50           HG       LEU  50   0.282   6.940   3.841
  350   1HD1  LEU  50          HD11      LEU  50   0.291   4.523   4.470
  351   2HD1  LEU  50          HD13      LEU  50   1.573   4.284   3.284
  352   3HD1  LEU  50          HD12      LEU  50   1.843   5.335   4.674
  353   1HD2  LEU  50          HD21      LEU  50   1.402   6.581   1.214
  354   2HD2  LEU  50          HD23      LEU  50   1.881   7.741   2.453
  355   3HD2  LEU  50          HD22      LEU  50   2.614   6.138   2.415
  356    H    SER  51           HN       SER  51  -1.772   7.221   4.592
  357    HA   SER  51           HA       SER  51  -1.136  10.104   4.234
  358   1HB   SER  51           HB2      SER  51  -3.241   8.737   5.710
  359   2HB   SER  51           HB1      SER  51  -2.216   9.623   6.781
  360    HG   SER  51           HG       SER  51  -3.708  11.065   6.079
  361    H    HIS  52           HN       HIS  52  -0.231   7.095   5.641
  362    HA   HIS  52           HA       HIS  52   2.291   8.129   6.572
  363   1HB   HIS  52           HB2      HIS  52   1.915   7.776   8.987
  364   2HB   HIS  52           HB1      HIS  52   0.836   9.023   8.358
  365    HD1  HIS  52           HD1      HIS  52   0.487   6.709  10.764
  366    HD2  HIS  52           HD2      HIS  52  -1.546   7.039   7.126
  367    HE1  HIS  52           HE1      HIS  52  -1.690   5.443  11.028
  368    H    PHE  53           HN       PHE  53   3.721   6.424   6.959
  369    HA   PHE  53           HA       PHE  53   2.813   3.758   6.205
  370   1HB   PHE  53           HB2      PHE  53   5.471   4.850   7.161
  371   2HB   PHE  53           HB1      PHE  53   5.207   3.143   6.808
  372    HD1  PHE  53           HD2      PHE  53   4.659   6.518   5.272
  373    HD2  PHE  53           HD1      PHE  53   5.581   2.372   4.639
  374    HE1  PHE  53           HE2      PHE  53   5.005   6.965   2.861
  375    HE2  PHE  53           HE1      PHE  53   5.928   2.817   2.224
  376    HZ   PHE  53           HZ       PHE  53   5.640   5.115   1.333
  377    H    GLY  54           HN       GLY  54   1.720   2.564   7.667
  378   1HA   GLY  54           HA2      GLY  54   2.454   1.341   9.901
  379   2HA   GLY  54           HA1      GLY  54   2.202   2.944  10.528
  380    H    LYS  55           HN       LYS  55   0.536   1.458  11.699
  381    HA   LYS  55           HA       LYS  55  -1.949   1.093  10.162
  382   1HB   LYS  55           HB2      LYS  55  -2.617   0.729  12.839
  383   2HB   LYS  55           HB1      LYS  55  -2.200  -0.548  11.702
  384   1HG   LYS  55           HG2      LYS  55   0.161  -0.382  12.360
  385   2HG   LYS  55           HG1      LYS  55  -0.232   0.929  13.473
  386   1HD   LYS  55           HD2      LYS  55  -1.997  -0.876  14.363
  387   2HD   LYS  55           HD1      LYS  55  -0.795  -1.990  13.711
  388   1HE   LYS  55           HE2      LYS  55   0.960  -0.724  15.013
  389   2HE   LYS  55           HE1      LYS  55  -0.349   0.169  15.788
  390   1HZ   LYS  55           HZ2      LYS  55  -0.711  -2.687  15.793
  391   2HZ   LYS  55           HZ1      LYS  55   0.655  -2.173  16.662
  392   3HZ   LYS  55           HZ3      LYS  55  -0.878  -1.568  17.060
  393    H    CYS  56           HN       CYS  56  -3.887   2.272  10.621
  394    HA   CYS  56           HA       CYS  56  -3.518   5.059  11.081
  395   1HB   CYS  56           HB2      CYS  56  -5.952   3.280  11.001
  396   2HB   CYS  56           HB1      CYS  56  -6.090   5.003  11.356
   
  No H/Q in entry =         396
  Start of MODEL          44
 Raw file had  401 H/Q atoms
  Start of MODEL   44
    1   1H    LEU   1           HT3      LEU   1  11.470  12.571   4.075
    2   2H    LEU   1           HT2      LEU   1  12.096  13.422   5.406
    3   3H    LEU   1           HT1      LEU   1  10.417  13.306   5.183
    4    HA   LEU   1           HA       LEU   1  10.663  15.357   4.314
    5   1HB   LEU   1           HB2      LEU   1  13.474  14.464   4.182
    6   2HB   LEU   1           HB1      LEU   1  13.009  15.602   2.917
    7    HG   LEU   1           HG       LEU   1  13.860  16.707   5.013
    8   1HD1  LEU   1          HD13      LEU   1  11.055  17.164   4.000
    9   2HD1  LEU   1          HD12      LEU   1  11.760  18.210   5.232
   10   3HD1  LEU   1          HD11      LEU   1  12.515  18.086   3.644
   11   1HD2  LEU   1          HD23      LEU   1  12.702  14.922   6.477
   12   2HD2  LEU   1          HD22      LEU   1  12.617  16.593   7.033
   13   3HD2  LEU   1          HD21      LEU   1  11.228  15.860   6.232
   14    H    ALA   2           HN       ALA   2  10.236  16.157   2.167
   15    HA   ALA   2           HA       ALA   2   9.793  15.974  -0.146
   16   1HB   ALA   2           HB3      ALA   2  11.948  14.218   0.242
   17   2HB   ALA   2           HB2      ALA   2  10.727  13.260  -0.596
   18   3HB   ALA   2           HB1      ALA   2  11.305  14.767  -1.305
   19    H    ALA   3           HN       ALA   3   8.677  14.096  -1.644
   20    HA   ALA   3           HA       ALA   3   6.157  13.560  -0.389
   21   1HB   ALA   3           HB2      ALA   3   6.467  13.805  -2.849
   22   2HB   ALA   3           HB1      ALA   3   7.334  12.270  -2.870
   23   3HB   ALA   3           HB3      ALA   3   5.627  12.312  -2.428
   24    H    VAL   4           HN       VAL   4   5.225  11.333  -0.111
   25    HA   VAL   4           HA       VAL   4   7.242   9.232   0.477
   26    HB   VAL   4           HB       VAL   4   5.087   9.789   2.500
   27   1HG1  VAL   4          HG11      VAL   4   6.505   7.684   2.476
   28   2HG1  VAL   4          HG13      VAL   4   7.899   8.709   2.815
   29   3HG1  VAL   4          HG12      VAL   4   6.574   8.610   3.975
   30   1HG2  VAL   4          HG23      VAL   4   7.637  11.306   2.057
   31   2HG2  VAL   4          HG22      VAL   4   6.067  11.899   2.597
   32   3HG2  VAL   4          HG21      VAL   4   7.102  11.004   3.710
   33    H    SER   5           HN       SER   5   6.439   7.785  -1.035
   34    HA   SER   5           HA       SER   5   3.612   6.915  -0.628
   35   1HB   SER   5           HB2      SER   5   4.426   8.326  -2.842
   36   2HB   SER   5           HB1      SER   5   4.624   6.662  -3.382
   37    HG   SER   5           HG       SER   5   2.386   8.060  -3.133
   38    H    VAL   6           HN       VAL   6   3.369   4.726  -2.016
   39    HA   VAL   6           HA       VAL   6   5.675   3.031  -1.195
   40    HB   VAL   6           HB       VAL   6   2.830   2.214  -1.799
   41   1HG1  VAL   6          HG11      VAL   6   5.284   0.746  -1.385
   42   2HG1  VAL   6          HG13      VAL   6   4.138   0.374  -0.098
   43   3HG1  VAL   6          HG12      VAL   6   3.682   0.127  -1.784
   44   1HG2  VAL   6          HG22      VAL   6   3.845   3.592   0.448
   45   2HG2  VAL   6          HG21      VAL   6   2.272   2.807   0.305
   46   3HG2  VAL   6          HG23      VAL   6   3.646   1.916   0.962
   47    H    ASP   7           HN       ASP   7   4.957   4.573  -3.768
   48    HA   ASP   7           HA       ASP   7   5.007   4.201  -6.112
   49   1HB   ASP   7           HB2      ASP   7   7.375   4.102  -5.461
   50   2HB   ASP   7           HB1      ASP   7   7.218   2.380  -5.113
   51    H    CYS   8           HN       CYS   8   3.050   3.116  -6.595
   52    HA   CYS   8           HA       CYS   8   3.137   0.137  -6.477
   53   1HB   CYS   8           HB2      CYS   8   0.725   1.888  -7.021
   54   2HB   CYS   8           HB1      CYS   8   0.728   0.174  -6.602
   55    H    SER   9           HN       SER   9   4.529   1.739  -8.537
   56    HA   SER   9           HA       SER   9   2.940   1.598 -10.962
   57   1HB   SER   9           HB2      SER   9   5.723   2.330 -10.257
   58   2HB   SER   9           HB1      SER   9   5.475   1.736 -11.897
   59    HG   SER   9           HG       SER   9   3.752   3.664 -10.774
   60    H    GLU  10           HN       GLU  10   4.218  -0.774  -9.109
   61    HA   GLU  10           HA       GLU  10   4.604  -2.583 -11.463
   62   1HB   GLU  10           HB2      GLU  10   5.891  -2.600  -8.722
   63   2HB   GLU  10           HB1      GLU  10   5.911  -4.012  -9.777
   64   1HG   GLU  10           HG2      GLU  10   7.876  -3.022 -10.464
   65   2HG   GLU  10           HG1      GLU  10   6.756  -2.202 -11.553
   66    H    TYR  11           HN       TYR  11   2.102  -1.847 -10.150
   67    HA   TYR  11           HA       TYR  11   1.307  -4.506  -9.088
   68   1HB   TYR  11           HB2      TYR  11   0.627  -1.703  -8.185
   69   2HB   TYR  11           HB1      TYR  11  -0.405  -3.059  -7.753
   70    HD1  TYR  11           HD1      TYR  11   0.458  -4.897  -6.315
   71    HD2  TYR  11           HD2      TYR  11   2.873  -1.498  -7.326
   72    HE1  TYR  11           HE1      TYR  11   2.105  -5.542  -4.571
   73    HE2  TYR  11           HE2      TYR  11   4.509  -2.133  -5.579
   74    HH   TYR  11           HH       TYR  11   4.071  -5.097  -3.653
   75    HA   PRO  12           HA       PRO  12  -0.796  -4.725  -8.177
   76   1HB   PRO  12           HB2      PRO  12  -2.782  -6.554  -8.709
   77   2HB   PRO  12           HB1      PRO  12  -3.086  -4.881  -8.229
   78   1HG   PRO  12           HG2      PRO  12  -3.475  -6.144 -10.868
   79   2HG   PRO  12           HG1      PRO  12  -4.117  -4.607 -10.267
   80   1HD   PRO  12           HD2      PRO  12  -1.860  -5.029 -12.002
   81   2HD   PRO  12           HD1      PRO  12  -2.507  -3.481 -11.489
   82    H    LYS  13           HN       LYS  13  -0.165  -6.761  -7.328
   83    HA   LYS  13           HA       LYS  13   1.276  -8.484  -9.286
   84   1HB   LYS  13           HB2      LYS  13   1.917  -7.402  -6.714
   85   2HB   LYS  13           HB1      LYS  13   1.864  -9.157  -6.576
   86   1HG   LYS  13           HG2      LYS  13   3.306  -9.219  -8.694
   87   2HG   LYS  13           HG1      LYS  13   3.550  -7.489  -8.450
   88   1HD   LYS  13           HD2      LYS  13   4.052  -8.511  -5.937
   89   2HD   LYS  13           HD1      LYS  13   4.705  -9.764  -6.992
   90   1HE   LYS  13           HE2      LYS  13   5.708  -7.653  -8.277
   91   2HE   LYS  13           HE1      LYS  13   5.556  -6.916  -6.681
   92   1HZ   LYS  13           HZ2      LYS  13   6.681  -9.089  -5.899
   93   2HZ   LYS  13           HZ1      LYS  13   7.188  -9.218  -7.515
   94   3HZ   LYS  13           HZ3      LYS  13   7.634  -7.865  -6.595
   95    HA   PRO  14           HA       PRO  14  -1.659 -11.674  -8.474
   96   1HB   PRO  14           HB2      PRO  14  -0.178 -13.785  -9.431
   97   2HB   PRO  14           HB1      PRO  14  -0.998 -12.605 -10.469
   98   1HG   PRO  14           HG2      PRO  14   1.906 -12.861  -9.843
   99   2HG   PRO  14           HG1      PRO  14   1.125 -12.184 -11.280
  100   1HD   PRO  14           HD2      PRO  14   2.261 -10.698  -9.189
  101   2HD   PRO  14           HD1      PRO  14   1.163 -10.067 -10.395
  102    H    ALA  15           HN       ALA  15   0.786 -11.057  -6.529
  103    HA   ALA  15           HA       ALA  15   0.071 -13.056  -4.565
  104   1HB   ALA  15           HB1      ALA  15   1.641 -14.340  -6.070
  105   2HB   ALA  15           HB3      ALA  15   2.903 -13.186  -5.641
  106   3HB   ALA  15           HB2      ALA  15   2.189 -14.214  -4.399
  107    H    CYS  16           HN       CYS  16   0.194 -11.919  -2.677
  108    HA   CYS  16           HA       CYS  16   1.939  -9.525  -2.601
  109   1HB   CYS  16           HB2      CYS  16  -0.271 -10.484  -0.756
  110   2HB   CYS  16           HB1      CYS  16   0.686  -9.030  -0.476
  111    H    THR  17           HN       THR  17   3.765  -9.417  -1.395
  112    HA   THR  17           HA       THR  17   5.077 -11.666  -0.365
  113    HB   THR  17           HB       THR  17   6.464 -10.060   0.931
  114    HG1  THR  17           HG1      THR  17   5.260  -8.483   1.662
  115   1HG2  THR  17          HG21      THR  17   5.884  -9.944  -1.905
  116   2HG2  THR  17          HG23      THR  17   6.414  -8.369  -1.314
  117   3HG2  THR  17          HG22      THR  17   7.436  -9.786  -1.080
  118    H    LEU  18           HN       LEU  18   5.651 -11.794   2.159
  119    HA   LEU  18           HA       LEU  18   3.020 -11.721   3.581
  120   1HB   LEU  18           HB2      LEU  18   5.278 -13.697   3.579
  121   2HB   LEU  18           HB1      LEU  18   4.294 -13.530   5.034
  122    HG   LEU  18           HG       LEU  18   3.267 -14.134   2.246
  123   1HD1  LEU  18          HD11      LEU  18   4.392 -15.841   4.116
  124   2HD1  LEU  18          HD13      LEU  18   2.664 -15.978   4.441
  125   3HD1  LEU  18          HD12      LEU  18   3.288 -16.320   2.827
  126   1HD2  LEU  18          HD22      LEU  18   1.991 -13.096   4.666
  127   2HD2  LEU  18          HD21      LEU  18   1.355 -13.206   3.025
  128   3HD2  LEU  18          HD23      LEU  18   1.250 -14.595   4.106
  129    H    GLU  19           HN       GLU  19   5.684  -9.939   3.403
  130    HA   GLU  19           HA       GLU  19   6.667  -9.796   6.092
  131   1HB   GLU  19           HB2      GLU  19   6.516  -7.332   4.381
  132   2HB   GLU  19           HB1      GLU  19   7.830  -7.894   5.412
  133   1HG   GLU  19           HG2      GLU  19   7.038  -8.930   2.684
  134   2HG   GLU  19           HG1      GLU  19   8.586  -8.251   3.182
  135    H    TYR  20           HN       TYR  20   6.277  -7.281   7.105
  136    HA   TYR  20           HA       TYR  20   3.309  -6.998   7.212
  137   1HB   TYR  20           HB2      TYR  20   4.232  -8.213   9.225
  138   2HB   TYR  20           HB1      TYR  20   5.111  -6.736   9.627
  139    HD1  TYR  20           HD2      TYR  20   1.699  -7.120   8.142
  140    HD2  TYR  20           HD1      TYR  20   4.016  -5.894  11.547
  141    HE1  TYR  20           HE2      TYR  20  -0.339  -6.173   9.183
  142    HE2  TYR  20           HE1      TYR  20   1.974  -4.947  12.591
  143    HH   TYR  20           HH       TYR  20  -0.360  -5.058  12.491
  144    H    ARG  21           HN       ARG  21   3.651  -5.207   5.739
  145    HA   ARG  21           HA       ARG  21   4.821  -2.785   7.050
  146   1HB   ARG  21           HB2      ARG  21   4.248  -3.250   4.104
  147   2HB   ARG  21           HB1      ARG  21   5.075  -1.858   4.803
  148   1HG   ARG  21           HG2      ARG  21   6.035  -4.728   4.734
  149   2HG   ARG  21           HG1      ARG  21   6.790  -3.323   3.979
  150   1HD   ARG  21           HD2      ARG  21   6.871  -2.390   6.430
  151   2HD   ARG  21           HD1      ARG  21   6.696  -4.086   6.884
  152    HE   ARG  21           HE       ARG  21   8.760  -4.364   5.257
  153   1HH1  ARG  21          HH21      ARG  21   8.619  -3.032   8.236
  154   2HH1  ARG  21          HH22      ARG  21  10.013  -2.014   8.090
  155   1HH2  ARG  21          HH11      ARG  21  10.325  -2.483   4.668
  156   2HH2  ARG  21          HH12      ARG  21  10.978  -1.704   6.069
  157    HA   PRO  22           HA       PRO  22   0.275  -2.281   7.152
  158   1HB   PRO  22           HB2      PRO  22   0.311  -0.809   9.489
  159   2HB   PRO  22           HB1      PRO  22   0.218  -2.586   9.423
  160   1HG   PRO  22           HG2      PRO  22   2.571  -0.842  10.054
  161   2HG   PRO  22           HG1      PRO  22   2.184  -2.466  10.648
  162   1HD   PRO  22           HD2      PRO  22   4.061  -1.923   8.653
  163   2HD   PRO  22           HD1      PRO  22   3.268  -3.495   8.892
  164    H    LEU  23           HN       LEU  23   0.204  -0.824   5.318
  165    HA   LEU  23           HA       LEU  23   1.125   1.950   5.883
  166   1HB   LEU  23           HB2      LEU  23  -0.061   1.075   3.268
  167   2HB   LEU  23           HB1      LEU  23   1.198   2.271   3.576
  168    HG   LEU  23           HG       LEU  23   1.741  -0.595   4.265
  169   1HD1  LEU  23          HD11      LEU  23   1.341   0.530   1.564
  170   2HD1  LEU  23          HD13      LEU  23   2.781  -0.459   1.796
  171   3HD1  LEU  23          HD12      LEU  23   1.187  -1.134   2.132
  172   1HD2  LEU  23          HD22      LEU  23   3.261   1.408   4.768
  173   2HD2  LEU  23          HD21      LEU  23   3.999   0.045   3.926
  174   3HD2  LEU  23          HD23      LEU  23   3.532   1.489   3.027
  175    H    CYS  24           HN       CYS  24  -0.369   3.336   6.642
  176    HA   CYS  24           HA       CYS  24  -3.216   2.617   6.510
  177   1HB   CYS  24           HB2      CYS  24  -1.687   4.897   7.770
  178   2HB   CYS  24           HB1      CYS  24  -3.432   4.825   7.803
  179    H    GLY  25           HN       GLY  25  -4.268   3.030   4.654
  180   1HA   GLY  25           HA2      GLY  25  -3.371   4.642   2.573
  181   2HA   GLY  25           HA1      GLY  25  -5.033   4.236   2.800
  182    H    SER  26           HN       SER  26  -5.473   6.441   1.971
  183    HA   SER  26           HA       SER  26  -4.882   8.631   3.886
  184   1HB   SER  26           HB2      SER  26  -6.262   9.950   2.136
  185   2HB   SER  26           HB1      SER  26  -4.682   9.364   1.634
  186    HG   SER  26           HG       SER  26  -7.005   7.799   1.291
  187    H    ASP  27           HN       ASP  27  -7.285   6.286   3.311
  188    HA   ASP  27           HA       ASP  27  -9.383   7.952   4.618
  189   1HB   ASP  27           HB2      ASP  27 -10.980   6.320   3.813
  190   2HB   ASP  27           HB1      ASP  27  -9.930   6.767   2.467
  191    H    ASN  28           HN       ASN  28  -6.955   6.193   5.696
  192    HA   ASN  28           HA       ASN  28  -6.615   5.290   7.853
  193   1HB   ASN  28           HB2      ASN  28  -8.737   6.618   8.463
  194   2HB   ASN  28           HB1      ASN  28  -9.607   5.108   8.195
  195   1HD2  ASN  28          HD22      ASN  28  -8.912   4.246  11.545
  196   2HD2  ASN  28          HD21      ASN  28 -10.092   4.498  10.352
  197    H    LYS  29           HN       LYS  29  -6.900   3.741   5.382
  198    HA   LYS  29           HA       LYS  29  -8.150   1.234   6.411
  199   1HB   LYS  29           HB2      LYS  29  -8.373   2.371   3.939
  200   2HB   LYS  29           HB1      LYS  29  -7.025   1.261   3.673
  201   1HG   LYS  29           HG2      LYS  29  -8.438  -0.542   4.770
  202   2HG   LYS  29           HG1      LYS  29  -9.793   0.583   4.693
  203   1HD   LYS  29           HD2      LYS  29  -9.706   0.662   2.298
  204   2HD   LYS  29           HD1      LYS  29  -8.160  -0.188   2.266
  205   1HE   LYS  29           HE2      LYS  29 -10.576  -1.473   3.523
  206   2HE   LYS  29           HE1      LYS  29 -10.331  -1.548   1.778
  207   1HZ   LYS  29           HZ1      LYS  29  -7.929  -2.150   3.162
  208   2HZ   LYS  29           HZ3      LYS  29  -9.180  -3.166   3.690
  209   3HZ   LYS  29           HZ2      LYS  29  -8.785  -3.095   2.039
  210    H    THR  30           HN       THR  30  -6.681   0.075   7.586
  211    HA   THR  30           HA       THR  30  -3.823   0.302   7.082
  212    HB   THR  30           HB       THR  30  -5.236  -1.729   8.822
  213    HG1  THR  30           HG1      THR  30  -5.527  -0.194  10.219
  214   1HG2  THR  30          HG23      THR  30  -2.430  -0.592   8.739
  215   2HG2  THR  30          HG22      THR  30  -3.047  -1.584  10.062
  216   3HG2  THR  30          HG21      THR  30  -2.911  -2.262   8.439
  217    H    TYR  31           HN       TYR  31  -2.665  -0.871   5.684
  218    HA   TYR  31           HA       TYR  31  -3.832  -3.421   4.635
  219   1HB   TYR  31           HB2      TYR  31  -2.089  -1.289   3.432
  220   2HB   TYR  31           HB1      TYR  31  -1.972  -2.938   2.821
  221    HD1  TYR  31           HD2      TYR  31  -3.897  -4.036   1.751
  222    HD2  TYR  31           HD1      TYR  31  -4.122   0.015   3.160
  223    HE1  TYR  31           HE2      TYR  31  -5.997  -3.709   0.474
  224    HE2  TYR  31           HE1      TYR  31  -6.224   0.342   1.886
  225    HH   TYR  31           HH       TYR  31  -7.625  -0.542   0.398
  226    H    GLY  32           HN       GLY  32  -2.843  -5.224   5.437
  227   1HA   GLY  32           HA2      GLY  32  -0.945  -5.399   7.348
  228   2HA   GLY  32           HA1      GLY  32  -1.032  -6.629   6.103
  229    H    ASN  33           HN       ASN  33   0.041  -5.667   3.918
  230    HA   ASN  33           HA       ASN  33   2.517  -4.243   4.723
  231   1HB   ASN  33           HB2      ASN  33   3.963  -5.678   3.528
  232   2HB   ASN  33           HB1      ASN  33   2.929  -6.733   4.459
  233   1HD2  ASN  33          HD22      ASN  33   1.679  -8.334   1.638
  234   2HD2  ASN  33          HD21      ASN  33   1.831  -8.293   3.320
  235    H    LYS  34           HN       LYS  34   3.669  -4.394   2.172
  236    HA   LYS  34           HA       LYS  34   2.405  -2.127   0.976
  237   1HB   LYS  34           HB2      LYS  34   4.156  -2.495  -0.777
  238   2HB   LYS  34           HB1      LYS  34   4.772  -2.316   0.848
  239   1HG   LYS  34           HG2      LYS  34   5.871  -4.246   0.511
  240   2HG   LYS  34           HG1      LYS  34   4.316  -5.069   0.566
  241   1HD   LYS  34           HD2      LYS  34   5.099  -5.751  -1.512
  242   2HD   LYS  34           HD1      LYS  34   4.158  -4.326  -1.946
  243   1HE   LYS  34           HE2      LYS  34   7.154  -4.585  -1.702
  244   2HE   LYS  34           HE1      LYS  34   6.210  -4.041  -3.089
  245   1HZ   LYS  34           HZ2      LYS  34   6.411  -2.605  -0.496
  246   2HZ   LYS  34           HZ1      LYS  34   7.273  -2.202  -1.902
  247   3HZ   LYS  34           HZ3      LYS  34   5.583  -2.071  -1.880
  248    H    CYS  35           HN       CYS  35   2.980  -5.366  -0.592
  249    HA   CYS  35           HA       CYS  35   1.509  -4.950  -2.877
  250   1HB   CYS  35           HB2      CYS  35   2.649  -7.074  -2.431
  251   2HB   CYS  35           HB1      CYS  35   1.454  -7.469  -1.194
  252    H    ASN  36           HN       ASN  36   0.243  -5.237   0.353
  253    HA   ASN  36           HA       ASN  36  -2.511  -5.660  -0.527
  254   1HB   ASN  36           HB2      ASN  36  -1.787  -4.627   2.194
  255   2HB   ASN  36           HB1      ASN  36  -3.054  -5.766   1.737
  256   1HD2  ASN  36          HD22      ASN  36  -0.941  -8.580   1.992
  257   2HD2  ASN  36          HD21      ASN  36  -2.490  -7.998   1.674
  258    H    PHE  37           HN       PHE  37  -0.576  -2.931   0.709
  259    HA   PHE  37           HA       PHE  37  -2.729  -1.014   0.610
  260   1HB   PHE  37           HB2      PHE  37  -0.583  -0.678   1.852
  261   2HB   PHE  37           HB1      PHE  37   0.236  -0.455   0.437
  262    HD1  PHE  37           HD1      PHE  37  -3.037   0.819   1.665
  263    HD2  PHE  37           HD2      PHE  37   0.760   1.589  -0.113
  264    HE1  PHE  37           HE1      PHE  37  -3.678   3.202   1.383
  265    HE2  PHE  37           HE2      PHE  37   0.147   3.979  -0.427
  266    HZ   PHE  37           HZ       PHE  37  -2.084   4.793   0.325
  267    H    CYS  38           HN       CYS  38  -0.062  -1.708  -1.546
  268    HA   CYS  38           HA       CYS  38  -0.733   0.202  -3.564
  269   1HB   CYS  38           HB2      CYS  38   1.000  -2.248  -3.477
  270   2HB   CYS  38           HB1      CYS  38   0.592  -1.559  -5.046
  271    H    ASN  39           HN       ASN  39  -1.763  -3.155  -3.035
  272    HA   ASN  39           HA       ASN  39  -3.034  -3.508  -5.560
  273   1HB   ASN  39           HB2      ASN  39  -3.418  -4.668  -2.820
  274   2HB   ASN  39           HB1      ASN  39  -4.677  -4.940  -4.026
  275   1HD2  ASN  39          HD22      ASN  39  -1.885  -7.548  -4.237
  276   2HD2  ASN  39          HD21      ASN  39  -2.715  -6.928  -2.893
  277    H    ALA  40           HN       ALA  40  -4.160  -2.064  -2.511
  278    HA   ALA  40           HA       ALA  40  -6.806  -1.408  -3.413
  279   1HB   ALA  40           HB1      ALA  40  -5.465  -1.189  -1.037
  280   2HB   ALA  40           HB3      ALA  40  -5.495   0.493  -1.560
  281   3HB   ALA  40           HB2      ALA  40  -7.005  -0.398  -1.372
  282    H    VAL  41           HN       VAL  41  -3.659  -0.010  -3.902
  283    HA   VAL  41           HA       VAL  41  -4.582   2.566  -4.902
  284    HB   VAL  41           HB       VAL  41  -1.949   1.073  -5.052
  285   1HG1  VAL  41          HG12      VAL  41  -2.830   3.109  -6.812
  286   2HG1  VAL  41          HG11      VAL  41  -1.711   3.872  -5.687
  287   3HG1  VAL  41          HG13      VAL  41  -1.195   2.477  -6.635
  288   1HG2  VAL  41          HG22      VAL  41  -3.198   2.740  -3.112
  289   2HG2  VAL  41          HG21      VAL  41  -1.572   2.061  -3.069
  290   3HG2  VAL  41          HG23      VAL  41  -1.848   3.645  -3.793
  291    H    VAL  42           HN       VAL  42  -3.921  -0.600  -6.230
  292    HA   VAL  42           HA       VAL  42  -4.106   0.360  -9.009
  293    HB   VAL  42           HB       VAL  42  -3.427  -1.815  -9.633
  294   1HG1  VAL  42          HG11      VAL  42  -2.051  -0.417  -7.664
  295   2HG1  VAL  42          HG13      VAL  42  -2.077  -2.075  -7.062
  296   3HG1  VAL  42          HG12      VAL  42  -1.400  -1.725  -8.652
  297   1HG2  VAL  42          HG21      VAL  42  -5.081  -2.599  -7.409
  298   2HG2  VAL  42          HG23      VAL  42  -4.463  -3.591  -8.726
  299   3HG2  VAL  42          HG22      VAL  42  -3.501  -3.359  -7.272
  300    H    GLU  43           HN       GLU  43  -6.261  -0.858  -6.607
  301    HA   GLU  43           HA       GLU  43  -8.221  -1.801  -8.584
  302   1HB   GLU  43           HB2      GLU  43  -9.562  -2.095  -6.396
  303   2HB   GLU  43           HB1      GLU  43  -8.212  -3.151  -6.640
  304   1HG   GLU  43           HG2      GLU  43  -7.177  -2.338  -4.855
  305   2HG   GLU  43           HG1      GLU  43  -7.473  -0.670  -5.349
  306    H    SER  44           HN       SER  44  -7.295   1.081  -7.091
  307    HA   SER  44           HA       SER  44 -10.024   2.254  -7.449
  308   1HB   SER  44           HB2      SER  44  -9.309   4.017  -5.920
  309   2HB   SER  44           HB1      SER  44  -9.005   2.451  -5.173
  310    HG   SER  44           HG       SER  44  -7.062   3.259  -4.970
  311    H    ASN  45           HN       ASN  45  -7.903   1.750  -9.550
  312    HA   ASN  45           HA       ASN  45  -7.115   2.896 -11.440
  313   1HB   ASN  45           HB2      ASN  45  -9.202   4.724 -10.339
  314   2HB   ASN  45           HB1      ASN  45  -8.055   5.415 -11.478
  315   1HD2  ASN  45          HD22      ASN  45  -9.070   2.851 -13.984
  316   2HD2  ASN  45          HD21      ASN  45  -7.616   3.257 -13.214
  317    H    GLY  46           HN       GLY  46  -6.049   3.237  -8.522
  318   1HA   GLY  46           HA2      GLY  46  -4.066   4.144  -7.680
  319   2HA   GLY  46           HA1      GLY  46  -3.765   4.881  -9.242
  320    H    THR  47           HN       THR  47  -6.799   5.443  -7.664
  321    HA   THR  47           HA       THR  47  -6.101   8.299  -7.360
  322    HB   THR  47           HB       THR  47  -8.466   8.666  -7.084
  323    HG1  THR  47           HG1      THR  47  -9.867   6.897  -6.823
  324   1HG2  THR  47          HG22      THR  47  -7.744   8.163  -9.387
  325   2HG2  THR  47          HG21      THR  47  -8.036   6.448  -9.105
  326   3HG2  THR  47          HG23      THR  47  -9.384   7.583  -9.099
  327    H    LEU  48           HN       LEU  48  -5.986   5.501  -5.515
  328    HA   LEU  48           HA       LEU  48  -6.774   6.657  -2.966
  329   1HB   LEU  48           HB2      LEU  48  -7.169   4.351  -3.083
  330   2HB   LEU  48           HB1      LEU  48  -5.663   4.037  -3.940
  331    HG   LEU  48           HG       LEU  48  -4.528   4.850  -1.718
  332   1HD1  LEU  48          HD12      LEU  48  -7.196   5.208  -1.044
  333   2HD1  LEU  48          HD11      LEU  48  -6.751   3.705  -0.238
  334   3HD1  LEU  48          HD13      LEU  48  -5.835   5.179   0.076
  335   1HD2  LEU  48          HD22      LEU  48  -5.196   2.378  -2.781
  336   2HD2  LEU  48          HD21      LEU  48  -4.099   2.649  -1.426
  337   3HD2  LEU  48          HD23      LEU  48  -5.799   2.285  -1.126
  338    H    THR  49           HN       THR  49  -5.438   7.719  -1.618
  339    HA   THR  49           HA       THR  49  -2.489   7.522  -2.073
  340    HB   THR  49           HB       THR  49  -2.238   9.804  -1.901
  341    HG1  THR  49           HG1      THR  49  -2.971  10.692  -0.169
  342   1HG2  THR  49          HG23      THR  49  -4.311   9.144  -3.516
  343   2HG2  THR  49          HG22      THR  49  -5.122  10.261  -2.417
  344   3HG2  THR  49          HG21      THR  49  -3.716  10.795  -3.337
  345    H    LEU  50           HN       LEU  50  -1.257   7.686   0.017
  346    HA   LEU  50           HA       LEU  50  -3.027   6.748   2.187
  347   1HB   LEU  50           HB2      LEU  50  -1.496   5.145   2.543
  348   2HB   LEU  50           HB1      LEU  50  -0.656   5.710   1.110
  349    HG   LEU  50           HG       LEU  50  -0.006   7.295   3.500
  350   1HD1  LEU  50          HD12      LEU  50  -0.227   4.450   3.723
  351   2HD1  LEU  50          HD11      LEU  50   1.470   4.925   3.820
  352   3HD1  LEU  50          HD13      LEU  50   0.294   5.620   4.937
  353   1HD2  LEU  50          HD22      LEU  50   1.129   7.062   1.142
  354   2HD2  LEU  50          HD21      LEU  50   2.141   7.205   2.579
  355   3HD2  LEU  50          HD23      LEU  50   1.863   5.623   1.851
  356    H    SER  51           HN       SER  51  -2.100   7.345   4.467
  357    HA   SER  51           HA       SER  51  -1.620  10.235   4.436
  358   1HB   SER  51           HB2      SER  51  -2.829  10.246   6.376
  359   2HB   SER  51           HB1      SER  51  -3.729   9.108   5.500
  360    HG   SER  51           HG       SER  51  -3.343   8.378   7.559
  361    H    HIS  52           HN       HIS  52  -0.906   7.360   6.439
  362    HA   HIS  52           HA       HIS  52   1.856   8.403   6.833
  363   1HB   HIS  52           HB2      HIS  52   1.734   8.019   9.239
  364   2HB   HIS  52           HB1      HIS  52   0.446   9.124   8.761
  365    HD1  HIS  52           HD1      HIS  52   0.818   6.464  10.970
  366    HD2  HIS  52           HD2      HIS  52  -1.942   7.135   7.939
  367    HE1  HIS  52           HE1      HIS  52  -1.210   5.028  11.471
  368    H    PHE  53           HN       PHE  53   3.406   6.812   6.887
  369    HA   PHE  53           HA       PHE  53   2.647   4.104   6.162
  370   1HB   PHE  53           HB2      PHE  53   5.282   5.413   6.859
  371   2HB   PHE  53           HB1      PHE  53   5.149   3.693   6.488
  372    HD1  PHE  53           HD2      PHE  53   4.351   7.084   5.141
  373    HD2  PHE  53           HD1      PHE  53   5.086   2.946   4.255
  374    HE1  PHE  53           HE2      PHE  53   4.358   7.606   2.721
  375    HE2  PHE  53           HE1      PHE  53   5.098   3.468   1.830
  376    HZ   PHE  53           HZ       PHE  53   4.734   5.798   1.062
  377    H    GLY  54           HN       GLY  54   1.911   2.669   7.654
  378   1HA   GLY  54           HA2      GLY  54   2.984   1.440   9.709
  379   2HA   GLY  54           HA1      GLY  54   2.696   2.989  10.471
  380    H    LYS  55           HN       LYS  55   1.344   1.266  11.738
  381    HA   LYS  55           HA       LYS  55  -1.271   0.707  10.525
  382   1HB   LYS  55           HB2      LYS  55  -1.562   0.295  13.277
  383   2HB   LYS  55           HB1      LYS  55  -1.208  -0.944  12.078
  384   1HG   LYS  55           HG2      LYS  55   1.200  -0.603  12.412
  385   2HG   LYS  55           HG1      LYS  55   0.868   0.681  13.576
  386   1HD   LYS  55           HD2      LYS  55  -0.298  -2.070  13.963
  387   2HD   LYS  55           HD1      LYS  55   1.349  -1.712  14.485
  388   1HE   LYS  55           HE2      LYS  55  -0.817   0.199  15.259
  389   2HE   LYS  55           HE1      LYS  55  -0.714  -1.336  16.123
  390   1HZ   LYS  55           HZ3      LYS  55   1.570   0.521  15.743
  391   2HZ   LYS  55           HZ2      LYS  55   0.602   0.473  17.139
  392   3HZ   LYS  55           HZ1      LYS  55   1.539  -0.876  16.705
  393    H    CYS  56           HN       CYS  56  -3.190   1.668  11.101
  394    HA   CYS  56           HA       CYS  56  -2.975   4.483  11.729
  395   1HB   CYS  56           HB2      CYS  56  -5.613   3.087  11.590
  396   2HB   CYS  56           HB1      CYS  56  -5.139   4.654  10.942
   
  No H/Q in entry =         396
  Start of MODEL          45
 Raw file had  401 H/Q atoms
  Start of MODEL   45
    1   1H    LEU   1           HT2      LEU   1   6.768  19.652  -1.085
    2   2H    LEU   1           HT1      LEU   1   8.279  19.846  -1.838
    3   3H    LEU   1           HT3      LEU   1   6.856  20.191  -2.693
    4    HA   LEU   1           HA       LEU   1   6.311  17.995  -2.997
    5   1HB   LEU   1           HB2      LEU   1   8.869  18.811  -3.685
    6   2HB   LEU   1           HB1      LEU   1   9.153  17.282  -2.853
    7    HG   LEU   1           HG       LEU   1   6.870  16.979  -4.560
    8   1HD1  LEU   1          HD13      LEU   1   8.565  18.907  -5.613
    9   2HD1  LEU   1          HD12      LEU   1   9.119  17.420  -6.382
   10   3HD1  LEU   1          HD11      LEU   1   7.435  17.917  -6.538
   11   1HD2  LEU   1          HD22      LEU   1   9.666  15.851  -4.402
   12   2HD2  LEU   1          HD21      LEU   1   8.144  15.075  -3.963
   13   3HD2  LEU   1          HD23      LEU   1   8.543  15.336  -5.661
   14    H    ALA   2           HN       ALA   2   5.629  17.981  -0.476
   15    HA   ALA   2           HA       ALA   2   7.308  15.953   0.928
   16   1HB   ALA   2           HB1      ALA   2   5.949  18.290   1.820
   17   2HB   ALA   2           HB3      ALA   2   5.131  16.904   2.540
   18   3HB   ALA   2           HB2      ALA   2   6.861  17.135   2.791
   19    H    ALA   3           HN       ALA   3   6.078  14.696  -1.028
   20    HA   ALA   3           HA       ALA   3   3.415  13.774  -0.097
   21   1HB   ALA   3           HB2      ALA   3   3.780  14.329  -2.517
   22   2HB   ALA   3           HB1      ALA   3   4.942  13.006  -2.603
   23   3HB   ALA   3           HB3      ALA   3   3.245  12.668  -2.259
   24    H    VAL   4           HN       VAL   4   3.063  11.341  -0.166
   25    HA   VAL   4           HA       VAL   4   5.520   9.791   0.455
   26    HB   VAL   4           HB       VAL   4   4.226   8.786   2.431
   27   1HG1  VAL   4          HG12      VAL   4   6.002  10.876   2.262
   28   2HG1  VAL   4          HG11      VAL   4   4.668  11.607   3.155
   29   3HG1  VAL   4          HG13      VAL   4   5.450  10.152   3.773
   30   1HG2  VAL   4          HG21      VAL   4   2.087  10.027   1.532
   31   2HG2  VAL   4          HG23      VAL   4   2.347   9.896   3.272
   32   3HG2  VAL   4          HG22      VAL   4   2.737  11.398   2.433
   33    H    SER   5           HN       SER   5   5.382   8.224  -1.076
   34    HA   SER   5           HA       SER   5   2.758   6.819  -1.371
   35   1HB   SER   5           HB2      SER   5   3.108   6.596  -3.709
   36   2HB   SER   5           HB1      SER   5   3.536   8.268  -3.355
   37    HG   SER   5           HG       SER   5   5.138   7.277  -4.615
   38    H    VAL   6           HN       VAL   6   3.251   4.554  -2.486
   39    HA   VAL   6           HA       VAL   6   5.690   3.424  -1.194
   40    HB   VAL   6           HB       VAL   6   3.060   1.983  -1.509
   41   1HG1  VAL   6          HG11      VAL   6   5.570   1.448   0.108
   42   2HG1  VAL   6          HG13      VAL   6   4.083   0.509   0.245
   43   3HG1  VAL   6          HG12      VAL   6   4.986   0.516  -1.270
   44   1HG2  VAL   6          HG22      VAL   6   4.161   3.500   0.876
   45   2HG2  VAL   6          HG21      VAL   6   2.688   3.873  -0.018
   46   3HG2  VAL   6          HG23      VAL   6   2.784   2.401   0.950
   47    H    ASP   7           HN       ASP   7   4.639   4.225  -4.004
   48    HA   ASP   7           HA       ASP   7   5.003   3.501  -6.207
   49   1HB   ASP   7           HB2      ASP   7   7.312   3.254  -5.415
   50   2HB   ASP   7           HB1      ASP   7   6.937   1.651  -4.782
   51    H    CYS   8           HN       CYS   8   3.514   2.334  -7.307
   52    HA   CYS   8           HA       CYS   8   3.187  -0.541  -6.700
   53   1HB   CYS   8           HB2      CYS   8   0.761   1.262  -6.802
   54   2HB   CYS   8           HB1      CYS   8   0.828  -0.435  -6.328
   55    H    SER   9           HN       SER   9   4.394   0.403  -8.940
   56    HA   SER   9           HA       SER   9   2.375   0.674 -11.078
   57   1HB   SER   9           HB2      SER   9   4.910   1.695 -10.768
   58   2HB   SER   9           HB1      SER   9   5.192   0.345 -11.863
   59    HG   SER   9           HG       SER   9   3.352   1.225 -13.079
   60    H    GLU  10           HN       GLU  10   3.069  -1.880  -9.423
   61    HA   GLU  10           HA       GLU  10   3.336  -3.662 -11.814
   62   1HB   GLU  10           HB2      GLU  10   4.496  -5.285 -10.327
   63   2HB   GLU  10           HB1      GLU  10   5.378  -3.765 -10.468
   64   1HG   GLU  10           HG2      GLU  10   3.391  -3.905  -8.271
   65   2HG   GLU  10           HG1      GLU  10   4.822  -4.921  -8.087
   66    H    TYR  11           HN       TYR  11   1.361  -2.654  -9.312
   67    HA   TYR  11           HA       TYR  11   0.108  -5.206  -8.753
   68   1HB   TYR  11           HB2      TYR  11  -0.635  -2.363  -8.021
   69   2HB   TYR  11           HB1      TYR  11  -1.422  -3.804  -7.374
   70    HD1  TYR  11           HD2      TYR  11   1.758  -1.916  -7.534
   71    HD2  TYR  11           HD1      TYR  11  -0.326  -5.214  -5.737
   72    HE1  TYR  11           HE2      TYR  11   3.587  -2.169  -5.882
   73    HE2  TYR  11           HE1      TYR  11   1.509  -5.465  -4.082
   74    HH   TYR  11           HH       TYR  11   3.648  -4.872  -3.614
   75    HA   PRO  12           HA       PRO  12  -2.047  -5.442  -7.933
   76   1HB   PRO  12           HB2      PRO  12  -3.613  -7.577  -8.703
   77   2HB   PRO  12           HB1      PRO  12  -4.267  -5.988  -8.270
   78   1HG   PRO  12           HG2      PRO  12  -3.928  -7.205 -10.981
   79   2HG   PRO  12           HG1      PRO  12  -5.125  -6.025 -10.423
   80   1HD   PRO  12           HD2      PRO  12  -2.828  -5.405 -11.919
   81   2HD   PRO  12           HD1      PRO  12  -3.808  -4.261 -11.038
   82    H    LYS  13           HN       LYS  13  -1.375  -7.598  -7.115
   83    HA   LYS  13           HA       LYS  13   0.553  -8.950  -8.965
   84   1HB   LYS  13           HB2      LYS  13   0.924  -7.698  -6.416
   85   2HB   LYS  13           HB1      LYS  13   1.200  -9.427  -6.233
   86   1HG   LYS  13           HG2      LYS  13   2.631  -9.202  -8.396
   87   2HG   LYS  13           HG1      LYS  13   2.624  -7.475  -8.031
   88   1HD   LYS  13           HD2      LYS  13   3.968  -7.717  -6.197
   89   2HD   LYS  13           HD1      LYS  13   3.263  -9.275  -5.760
   90   1HE   LYS  13           HE2      LYS  13   5.444  -9.836  -6.462
   91   2HE   LYS  13           HE1      LYS  13   4.452 -10.173  -7.882
   92   1HZ   LYS  13           HZ2      LYS  13   5.068  -7.552  -8.164
   93   2HZ   LYS  13           HZ1      LYS  13   6.498  -8.194  -7.508
   94   3HZ   LYS  13           HZ3      LYS  13   5.863  -8.835  -8.943
   95    HA   PRO  14           HA       PRO  14  -1.733 -12.624  -8.071
   96   1HB   PRO  14           HB2      PRO  14   0.149 -14.442  -8.904
   97   2HB   PRO  14           HB1      PRO  14  -0.854 -13.488 -10.010
   98   1HG   PRO  14           HG2      PRO  14   2.029 -13.153  -9.326
   99   2HG   PRO  14           HG1      PRO  14   1.166 -12.692 -10.802
  100   1HD   PRO  14           HD2      PRO  14   1.946 -10.940  -8.752
  101   2HD   PRO  14           HD1      PRO  14   0.783 -10.577 -10.005
  102    H    ALA  15           HN       ALA  15   0.491 -11.464  -6.111
  103    HA   ALA  15           HA       ALA  15   0.083 -13.349  -4.012
  104   1HB   ALA  15           HB1      ALA  15   1.777 -14.509  -5.665
  105   2HB   ALA  15           HB3      ALA  15   2.945 -13.419  -4.919
  106   3HB   ALA  15           HB2      ALA  15   2.063 -14.580  -3.926
  107    H    CYS  16           HN       CYS  16   0.249 -12.069  -2.222
  108    HA   CYS  16           HA       CYS  16   1.670  -9.513  -2.405
  109   1HB   CYS  16           HB2      CYS  16  -0.443 -10.549  -0.811
  110   2HB   CYS  16           HB1      CYS  16   0.868 -10.134   0.290
  111    H    THR  17           HN       THR  17   3.582  -8.986  -1.309
  112    HA   THR  17           HA       THR  17   5.511 -11.009  -0.892
  113    HB   THR  17           HB       THR  17   6.415  -9.024   0.739
  114    HG1  THR  17           HG1      THR  17   4.293  -8.002   0.272
  115   1HG2  THR  17          HG21      THR  17   7.107 -10.009  -1.655
  116   2HG2  THR  17          HG23      THR  17   6.488  -8.444  -2.181
  117   3HG2  THR  17          HG22      THR  17   7.811  -8.523  -1.017
  118    H    LEU  18           HN       LEU  18   6.611 -10.656   1.644
  119    HA   LEU  18           HA       LEU  18   4.406 -11.639   3.403
  120   1HB   LEU  18           HB2      LEU  18   7.308 -12.524   3.393
  121   2HB   LEU  18           HB1      LEU  18   6.050 -13.122   4.479
  122    HG   LEU  18           HG       LEU  18   4.850 -13.481   2.054
  123   1HD1  LEU  18          HD11      LEU  18   7.787 -13.392   1.656
  124   2HD1  LEU  18          HD13      LEU  18   6.959 -14.774   0.937
  125   3HD1  LEU  18          HD12      LEU  18   6.484 -13.134   0.495
  126   1HD2  LEU  18          HD22      LEU  18   5.185 -15.085   3.998
  127   2HD2  LEU  18          HD21      LEU  18   5.271 -15.825   2.398
  128   3HD2  LEU  18          HD23      LEU  18   6.752 -15.487   3.294
  129    H    GLU  19           HN       GLU  19   7.282  -9.636   3.128
  130    HA   GLU  19           HA       GLU  19   7.829  -8.998   5.785
  131   1HB   GLU  19           HB2      GLU  19   8.425  -6.722   4.979
  132   2HB   GLU  19           HB1      GLU  19   9.054  -7.979   3.914
  133   1HG   GLU  19           HG2      GLU  19   6.336  -7.064   3.231
  134   2HG   GLU  19           HG1      GLU  19   7.582  -5.828   3.064
  135    H    TYR  20           HN       TYR  20   6.969  -7.239   7.183
  136    HA   TYR  20           HA       TYR  20   4.048  -6.901   6.700
  137   1HB   TYR  20           HB2      TYR  20   4.784  -8.083   8.805
  138   2HB   TYR  20           HB1      TYR  20   5.513  -6.563   9.327
  139    HD1  TYR  20           HD2      TYR  20   2.341  -7.031   7.403
  140    HD2  TYR  20           HD1      TYR  20   4.132  -5.930  11.153
  141    HE1  TYR  20           HE2      TYR  20   0.140  -6.240   8.219
  142    HE2  TYR  20           HE1      TYR  20   1.927  -5.143  11.970
  143    HH   TYR  20           HH       TYR  20  -1.015  -5.731  10.175
  144    H    ARG  21           HN       ARG  21   3.473  -4.959   5.980
  145    HA   ARG  21           HA       ARG  21   4.756  -2.534   7.124
  146   1HB   ARG  21           HB2      ARG  21   4.505  -3.199   4.180
  147   2HB   ARG  21           HB1      ARG  21   4.752  -1.553   4.767
  148   1HG   ARG  21           HG2      ARG  21   6.797  -2.353   5.976
  149   2HG   ARG  21           HG1      ARG  21   6.580  -3.929   5.216
  150   1HD   ARG  21           HD2      ARG  21   7.553  -3.203   3.322
  151   2HD   ARG  21           HD1      ARG  21   6.423  -1.852   3.220
  152    HE   ARG  21           HE       ARG  21   8.025  -0.690   4.870
  153   1HH1  ARG  21          HH11      ARG  21   9.993  -2.833   5.240
  154   2HH1  ARG  21          HH12      ARG  21  11.190  -2.486   4.038
  155   1HH2  ARG  21          HH21      ARG  21   9.126  -0.386   2.204
  156   2HH2  ARG  21          HH22      ARG  21  10.701  -1.099   2.321
  157    HA   PRO  22           HA       PRO  22   0.184  -2.372   7.054
  158   1HB   PRO  22           HB2      PRO  22   0.035  -0.995   9.450
  159   2HB   PRO  22           HB1      PRO  22   0.047  -2.775   9.310
  160   1HG   PRO  22           HG2      PRO  22   2.265  -0.925  10.110
  161   2HG   PRO  22           HG1      PRO  22   1.955  -2.594  10.623
  162   1HD   PRO  22           HD2      PRO  22   3.875  -1.859   8.739
  163   2HD   PRO  22           HD1      PRO  22   3.164  -3.483   8.869
  164    H    LEU  23           HN       LEU  23   0.043  -0.818   5.309
  165    HA   LEU  23           HA       LEU  23   0.814   1.959   6.068
  166   1HB   LEU  23           HB2      LEU  23  -0.265   1.163   3.381
  167   2HB   LEU  23           HB1      LEU  23   0.883   2.440   3.784
  168    HG   LEU  23           HG       LEU  23   1.618  -0.418   4.325
  169   1HD1  LEU  23          HD12      LEU  23   1.182   0.844   1.710
  170   2HD1  LEU  23          HD11      LEU  23   2.754   0.070   1.909
  171   3HD1  LEU  23          HD13      LEU  23   1.278  -0.864   2.143
  172   1HD2  LEU  23          HD21      LEU  23   2.871   1.888   4.878
  173   2HD2  LEU  23          HD23      LEU  23   3.754   0.422   4.450
  174   3HD2  LEU  23          HD22      LEU  23   3.449   1.657   3.228
  175    H    CYS  24           HN       CYS  24  -0.792   3.061   7.065
  176    HA   CYS  24           HA       CYS  24  -3.593   2.302   6.657
  177   1HB   CYS  24           HB2      CYS  24  -2.111   3.897   8.553
  178   2HB   CYS  24           HB1      CYS  24  -3.436   4.852   7.911
  179    H    GLY  25           HN       GLY  25  -4.469   2.835   4.728
  180   1HA   GLY  25           HA2      GLY  25  -3.453   4.657   2.900
  181   2HA   GLY  25           HA1      GLY  25  -5.118   4.189   2.926
  182    H    SER  26           HN       SER  26  -5.519   6.450   2.245
  183    HA   SER  26           HA       SER  26  -5.174   8.474   4.378
  184   1HB   SER  26           HB2      SER  26  -4.844   9.174   2.050
  185   2HB   SER  26           HB1      SER  26  -6.463   8.629   1.636
  186    HG   SER  26           HG       SER  26  -7.240  10.401   2.448
  187    H    ASP  27           HN       ASP  27  -7.388   6.068   3.557
  188    HA   ASP  27           HA       ASP  27  -9.694   7.542   4.730
  189   1HB   ASP  27           HB2      ASP  27 -10.983   5.498   3.959
  190   2HB   ASP  27           HB1      ASP  27 -10.240   6.434   2.661
  191    H    ASN  28           HN       ASN  28  -7.174   5.875   5.885
  192    HA   ASN  28           HA       ASN  28  -6.847   4.987   8.045
  193   1HB   ASN  28           HB2      ASN  28  -9.819   4.668   8.401
  194   2HB   ASN  28           HB1      ASN  28  -8.581   4.952   9.624
  195   1HD2  ASN  28          HD22      ASN  28  -8.279   8.474   8.293
  196   2HD2  ASN  28          HD21      ASN  28  -7.226   7.142   8.295
  197    H    LYS  29           HN       LYS  29  -7.240   3.478   5.496
  198    HA   LYS  29           HA       LYS  29  -8.312   0.909   6.560
  199   1HB   LYS  29           HB2      LYS  29  -8.658   2.083   4.100
  200   2HB   LYS  29           HB1      LYS  29  -7.329   0.966   3.784
  201   1HG   LYS  29           HG2      LYS  29  -9.590  -0.091   5.401
  202   2HG   LYS  29           HG1      LYS  29  -9.912   0.200   3.693
  203   1HD   LYS  29           HD2      LYS  29  -8.271  -1.329   2.990
  204   2HD   LYS  29           HD1      LYS  29  -7.430  -1.278   4.539
  205   1HE   LYS  29           HE2      LYS  29  -8.582  -3.366   4.516
  206   2HE   LYS  29           HE1      LYS  29  -9.542  -2.312   5.555
  207   1HZ   LYS  29           HZ3      LYS  29 -10.459  -1.887   2.990
  208   2HZ   LYS  29           HZ2      LYS  29 -10.269  -3.571   3.120
  209   3HZ   LYS  29           HZ1      LYS  29 -11.248  -2.736   4.229
  210    H    THR  30           HN       THR  30  -6.718  -0.084   7.707
  211    HA   THR  30           HA       THR  30  -3.909   0.229   7.076
  212    HB   THR  30           HB       THR  30  -5.380  -1.656   8.932
  213    HG1  THR  30           HG1      THR  30  -4.173  -0.202  10.422
  214   1HG2  THR  30          HG22      THR  30  -2.499  -1.433   8.175
  215   2HG2  THR  30          HG21      THR  30  -2.890  -1.735   9.869
  216   3HG2  THR  30          HG23      THR  30  -3.433  -2.860   8.624
  217    H    TYR  31           HN       TYR  31  -2.839  -0.808   5.514
  218    HA   TYR  31           HA       TYR  31  -3.968  -3.331   4.396
  219   1HB   TYR  31           HB2      TYR  31  -1.994  -1.285   3.377
  220   2HB   TYR  31           HB1      TYR  31  -2.142  -2.869   2.622
  221    HD1  TYR  31           HD1      TYR  31  -4.097   0.152   3.615
  222    HD2  TYR  31           HD2      TYR  31  -3.909  -3.335   1.114
  223    HE1  TYR  31           HE1      TYR  31  -6.100   0.931   2.378
  224    HE2  TYR  31           HE2      TYR  31  -5.912  -2.555  -0.124
  225    HH   TYR  31           HH       TYR  31  -7.048   0.530  -0.023
  226    H    GLY  32           HN       GLY  32  -3.038  -5.207   5.028
  227   1HA   GLY  32           HA2      GLY  32  -1.279  -5.686   6.992
  228   2HA   GLY  32           HA1      GLY  32  -1.278  -6.714   5.569
  229    H    ASN  33           HN       ASN  33  -0.052  -5.441   3.624
  230    HA   ASN  33           HA       ASN  33   2.346  -4.144   4.784
  231   1HB   ASN  33           HB2      ASN  33   3.844  -5.543   3.375
  232   2HB   ASN  33           HB1      ASN  33   3.000  -6.455   4.599
  233   1HD2  ASN  33          HD22      ASN  33   2.583  -8.457   1.572
  234   2HD2  ASN  33          HD21      ASN  33   3.799  -8.085   2.690
  235    H    LYS  34           HN       LYS  34   3.850  -3.948   2.533
  236    HA   LYS  34           HA       LYS  34   2.738  -1.680   1.269
  237   1HB   LYS  34           HB2      LYS  34   4.717  -2.163  -0.336
  238   2HB   LYS  34           HB1      LYS  34   5.077  -1.783   1.336
  239   1HG   LYS  34           HG2      LYS  34   5.961  -3.832   1.699
  240   2HG   LYS  34           HG1      LYS  34   4.595  -4.649   0.928
  241   1HD   LYS  34           HD2      LYS  34   6.786  -3.250  -0.636
  242   2HD   LYS  34           HD1      LYS  34   6.841  -4.965  -0.226
  243   1HE   LYS  34           HE2      LYS  34   4.535  -5.155  -1.311
  244   2HE   LYS  34           HE1      LYS  34   4.807  -3.533  -1.948
  245   1HZ   LYS  34           HZ1      LYS  34   6.914  -5.530  -2.313
  246   2HZ   LYS  34           HZ3      LYS  34   5.524  -5.663  -3.275
  247   3HZ   LYS  34           HZ2      LYS  34   6.453  -4.242  -3.320
  248    H    CYS  35           HN       CYS  35   3.084  -5.034  -0.033
  249    HA   CYS  35           HA       CYS  35   2.117  -4.357  -2.606
  250   1HB   CYS  35           HB2      CYS  35   1.610  -6.791  -2.770
  251   2HB   CYS  35           HB1      CYS  35   3.235  -6.473  -2.179
  252    H    ASN  36           HN       ASN  36   0.384  -5.453   0.338
  253    HA   ASN  36           HA       ASN  36  -2.207  -5.588  -0.830
  254   1HB   ASN  36           HB2      ASN  36  -1.142  -5.226   1.928
  255   2HB   ASN  36           HB1      ASN  36  -2.826  -4.776   1.659
  256   1HD2  ASN  36          HD22      ASN  36  -1.747  -8.697   1.637
  257   2HD2  ASN  36          HD21      ASN  36  -0.598  -7.466   1.827
  258    H    PHE  37           HN       PHE  37  -0.677  -2.844   0.924
  259    HA   PHE  37           HA       PHE  37  -2.727  -0.930   0.522
  260   1HB   PHE  37           HB2      PHE  37  -0.623  -0.577   1.840
  261   2HB   PHE  37           HB1      PHE  37   0.240  -0.365   0.444
  262    HD1  PHE  37           HD1      PHE  37  -3.030   0.965   1.672
  263    HD2  PHE  37           HD2      PHE  37   0.717   1.646  -0.260
  264    HE1  PHE  37           HE1      PHE  37  -3.671   3.334   1.298
  265    HE2  PHE  37           HE2      PHE  37   0.093   4.016  -0.663
  266    HZ   PHE  37           HZ       PHE  37  -2.116   4.865   0.113
  267    H    CYS  38           HN       CYS  38  -0.168  -2.013  -1.454
  268    HA   CYS  38           HA       CYS  38  -0.361  -0.024  -3.519
  269   1HB   CYS  38           HB2      CYS  38   0.927  -2.704  -3.285
  270   2HB   CYS  38           HB1      CYS  38   0.659  -2.067  -4.898
  271    H    ASN  39           HN       ASN  39  -1.942  -3.187  -3.123
  272    HA   ASN  39           HA       ASN  39  -3.099  -3.369  -5.694
  273   1HB   ASN  39           HB2      ASN  39  -4.332  -4.134  -3.021
  274   2HB   ASN  39           HB1      ASN  39  -4.891  -4.694  -4.597
  275   1HD2  ASN  39          HD22      ASN  39  -2.741  -7.443  -3.649
  276   2HD2  ASN  39          HD21      ASN  39  -4.331  -6.879  -3.462
  277    H    ALA  40           HN       ALA  40  -4.332  -1.796  -2.750
  278    HA   ALA  40           HA       ALA  40  -6.706  -0.697  -3.853
  279   1HB   ALA  40           HB2      ALA  40  -6.117  -0.755  -1.421
  280   2HB   ALA  40           HB1      ALA  40  -4.929   0.516  -1.714
  281   3HB   ALA  40           HB3      ALA  40  -6.645   0.840  -1.959
  282    H    VAL  41           HN       VAL  41  -3.355   0.396  -3.977
  283    HA   VAL  41           HA       VAL  41  -3.953   3.052  -4.972
  284    HB   VAL  41           HB       VAL  41  -1.426   1.380  -5.093
  285   1HG1  VAL  41          HG13      VAL  41  -2.081   4.152  -6.016
  286   2HG1  VAL  41          HG12      VAL  41  -0.496   3.859  -5.300
  287   3HG1  VAL  41          HG11      VAL  41  -0.997   2.961  -6.732
  288   1HG2  VAL  41          HG22      VAL  41  -2.456   2.127  -2.838
  289   2HG2  VAL  41          HG21      VAL  41  -0.761   2.517  -3.126
  290   3HG2  VAL  41          HG23      VAL  41  -1.999   3.758  -3.323
  291    H    VAL  42           HN       VAL  42  -3.163  -0.040  -6.543
  292    HA   VAL  42           HA       VAL  42  -3.198   1.210  -9.190
  293    HB   VAL  42           HB       VAL  42  -1.535  -0.525  -8.595
  294   1HG1  VAL  42          HG13      VAL  42  -4.011  -2.003  -7.907
  295   2HG1  VAL  42          HG12      VAL  42  -2.764  -2.932  -8.739
  296   3HG1  VAL  42          HG11      VAL  42  -2.393  -2.126  -7.215
  297   1HG2  VAL  42          HG21      VAL  42  -3.150  -0.365 -10.897
  298   2HG2  VAL  42          HG23      VAL  42  -1.527  -1.045 -10.769
  299   3HG2  VAL  42          HG22      VAL  42  -2.937  -2.085 -10.561
  300    H    GLU  43           HN       GLU  43  -5.499  -0.159  -7.088
  301    HA   GLU  43           HA       GLU  43  -7.214  -1.158  -9.254
  302   1HB   GLU  43           HB2      GLU  43  -8.741  -1.613  -7.296
  303   2HB   GLU  43           HB1      GLU  43  -7.268  -2.524  -7.254
  304   1HG   GLU  43           HG2      GLU  43  -6.920  -1.690  -5.236
  305   2HG   GLU  43           HG1      GLU  43  -6.787  -0.079  -5.941
  306    H    SER  44           HN       SER  44  -6.619   1.678  -7.427
  307    HA   SER  44           HA       SER  44  -9.316   2.773  -8.094
  308   1HB   SER  44           HB2      SER  44  -8.910   4.422  -6.383
  309   2HB   SER  44           HB1      SER  44  -8.442   2.866  -5.712
  310    HG   SER  44           HG       SER  44  -6.463   3.554  -5.595
  311    H    ASN  45           HN       ASN  45  -6.907   2.473  -9.958
  312    HA   ASN  45           HA       ASN  45  -5.991   3.765 -11.695
  313   1HB   ASN  45           HB2      ASN  45  -8.362   5.308 -10.808
  314   2HB   ASN  45           HB1      ASN  45  -7.107   6.260 -11.588
  315   1HD2  ASN  45          HD22      ASN  45  -8.344   5.252 -14.726
  316   2HD2  ASN  45          HD21      ASN  45  -7.851   6.528 -13.721
  317    H    GLY  46           HN       GLY  46  -5.186   3.891  -8.741
  318   1HA   GLY  46           HA2      GLY  46  -3.434   4.893  -7.564
  319   2HA   GLY  46           HA1      GLY  46  -2.999   5.751  -9.038
  320    H    THR  47           HN       THR  47  -6.227   5.978  -7.766
  321    HA   THR  47           HA       THR  47  -5.827   8.861  -7.292
  322    HB   THR  47           HB       THR  47  -8.196   7.033  -7.632
  323    HG1  THR  47           HG1      THR  47  -8.645   8.502  -9.239
  324   1HG2  THR  47          HG22      THR  47  -8.110   9.666  -6.203
  325   2HG2  THR  47          HG21      THR  47  -9.525   9.238  -7.165
  326   3HG2  THR  47          HG23      THR  47  -9.034   8.216  -5.815
  327    H    LEU  48           HN       LEU  48  -5.901   5.914  -5.562
  328    HA   LEU  48           HA       LEU  48  -6.912   6.986  -3.067
  329   1HB   LEU  48           HB2      LEU  48  -7.269   4.685  -3.240
  330   2HB   LEU  48           HB1      LEU  48  -5.732   4.404  -4.045
  331    HG   LEU  48           HG       LEU  48  -4.902   5.323  -1.592
  332   1HD1  LEU  48          HD12      LEU  48  -7.274   5.314  -0.837
  333   2HD1  LEU  48          HD11      LEU  48  -7.306   3.574  -1.119
  334   3HD1  LEU  48          HD13      LEU  48  -6.227   4.249   0.102
  335   1HD2  LEU  48          HD23      LEU  48  -5.304   2.658  -2.844
  336   2HD2  LEU  48          HD22      LEU  48  -3.816   3.435  -2.304
  337   3HD2  LEU  48          HD21      LEU  48  -4.901   2.694  -1.127
  338    H    THR  49           HN       THR  49  -5.718   8.061  -1.602
  339    HA   THR  49           HA       THR  49  -2.737   7.918  -1.835
  340    HB   THR  49           HB       THR  49  -2.566  10.176  -1.271
  341    HG1  THR  49           HG1      THR  49  -3.667  10.379   0.556
  342   1HG2  THR  49          HG23      THR  49  -5.243   9.927  -2.669
  343   2HG2  THR  49          HG22      THR  49  -4.333  11.431  -2.525
  344   3HG2  THR  49          HG21      THR  49  -3.664  10.078  -3.438
  345    H    LEU  50           HN       LEU  50  -1.627   7.706   0.212
  346    HA   LEU  50           HA       LEU  50  -3.402   6.507   2.230
  347   1HB   LEU  50           HB2      LEU  50  -1.668   5.118   2.654
  348   2HB   LEU  50           HB1      LEU  50  -0.944   5.780   1.204
  349    HG   LEU  50           HG       LEU  50  -0.366   7.450   3.532
  350   1HD1  LEU  50          HD13      LEU  50   0.371   4.525   3.528
  351   2HD1  LEU  50          HD12      LEU  50   1.165   5.741   4.532
  352   3HD1  LEU  50          HD11      LEU  50  -0.548   5.385   4.763
  353   1HD2  LEU  50          HD22      LEU  50   0.792   7.446   1.295
  354   2HD2  LEU  50          HD21      LEU  50   1.890   7.219   2.657
  355   3HD2  LEU  50          HD23      LEU  50   1.405   5.837   1.674
  356    H    SER  51           HN       SER  51  -2.279   6.981   4.619
  357    HA   SER  51           HA       SER  51  -2.235   9.952   4.810
  358   1HB   SER  51           HB2      SER  51  -3.998   8.040   6.106
  359   2HB   SER  51           HB1      SER  51  -3.033   8.867   7.274
  360    HG   SER  51           HG       SER  51  -4.655  10.244   6.970
  361    H    HIS  52           HN       HIS  52  -0.872   6.888   5.826
  362    HA   HIS  52           HA       HIS  52   1.628   8.032   6.572
  363   1HB   HIS  52           HB2      HIS  52   1.511   7.926   8.999
  364   2HB   HIS  52           HB1      HIS  52   0.208   8.970   8.427
  365    HD1  HIS  52           HD1      HIS  52   0.598   6.563  10.881
  366    HD2  HIS  52           HD2      HIS  52  -2.153   6.879   7.756
  367    HE1  HIS  52           HE1      HIS  52  -1.375   5.106  11.503
  368    H    PHE  53           HN       PHE  53   3.119   6.381   6.822
  369    HA   PHE  53           HA       PHE  53   2.327   3.665   6.311
  370   1HB   PHE  53           HB2      PHE  53   4.897   4.901   7.340
  371   2HB   PHE  53           HB1      PHE  53   4.724   3.169   7.066
  372    HD1  PHE  53           HD2      PHE  53   4.372   6.485   5.378
  373    HD2  PHE  53           HD1      PHE  53   4.994   2.260   4.907
  374    HE1  PHE  53           HE2      PHE  53   4.837   6.823   2.965
  375    HE2  PHE  53           HE1      PHE  53   5.460   2.598   2.495
  376    HZ   PHE  53           HZ       PHE  53   5.383   4.879   1.525
  377    H    GLY  54           HN       GLY  54   2.673   1.851   7.928
  378   1HA   GLY  54           HA2      GLY  54   2.751   1.030  10.159
  379   2HA   GLY  54           HA1      GLY  54   2.533   2.652  10.728
  380    H    LYS  55           HN       LYS  55   0.963   1.174  11.975
  381    HA   LYS  55           HA       LYS  55  -1.635   0.834  10.619
  382   1HB   LYS  55           HB2      LYS  55  -2.123   0.400  13.305
  383   2HB   LYS  55           HB1      LYS  55  -1.728  -0.857  12.137
  384   1HG   LYS  55           HG2      LYS  55   0.680  -0.560  12.672
  385   2HG   LYS  55           HG1      LYS  55   0.251   0.661  13.870
  386   1HD   LYS  55           HD2      LYS  55  -0.629  -0.885  15.340
  387   2HD   LYS  55           HD1      LYS  55  -1.094  -2.000  14.053
  388   1HE   LYS  55           HE2      LYS  55   1.816  -1.451  14.560
  389   2HE   LYS  55           HE1      LYS  55   0.951  -2.593  15.589
  390   1HZ   LYS  55           HZ1      LYS  55   0.148  -3.488  13.279
  391   2HZ   LYS  55           HZ3      LYS  55   1.583  -2.766  12.734
  392   3HZ   LYS  55           HZ2      LYS  55   1.641  -3.970  13.932
  393    H    CYS  56           HN       CYS  56  -3.536   1.999  11.254
  394    HA   CYS  56           HA       CYS  56  -3.194   4.777  11.722
  395   1HB   CYS  56           HB2      CYS  56  -5.558   2.926  11.946
  396   2HB   CYS  56           HB1      CYS  56  -5.703   4.627  12.385
   
  No H/Q in entry =         396
  Start of MODEL          46
 Raw file had  401 H/Q atoms
  Start of MODEL   46
    1   1H    LEU   1           HT3      LEU   1  11.788  17.836   2.126
    2   2H    LEU   1           HT2      LEU   1  13.315  17.154   2.426
    3   3H    LEU   1           HT1      LEU   1  12.013  16.163   1.968
    4    HA   LEU   1           HA       LEU   1  12.439  15.958   4.332
    5   1HB   LEU   1           HB2      LEU   1  12.772  18.791   4.066
    6   2HB   LEU   1           HB1      LEU   1  11.457  18.493   5.205
    7    HG   LEU   1           HG       LEU   1  13.135  16.671   6.152
    8   1HD1  LEU   1          HD13      LEU   1  14.861  18.610   4.609
    9   2HD1  LEU   1          HD12      LEU   1  15.480  17.750   6.018
   10   3HD1  LEU   1          HD11      LEU   1  14.923  16.848   4.609
   11   1HD2  LEU   1          HD22      LEU   1  12.590  19.465   6.715
   12   2HD2  LEU   1          HD21      LEU   1  12.857  18.138   7.845
   13   3HD2  LEU   1          HD23      LEU   1  14.230  19.040   7.205
   14    H    ALA   2           HN       ALA   2  10.406  15.343   2.526
   15    HA   ALA   2           HA       ALA   2   8.160  14.939   4.123
   16   1HB   ALA   2           HB1      ALA   2   8.099  17.591   2.680
   17   2HB   ALA   2           HB3      ALA   2   6.613  16.735   3.092
   18   3HB   ALA   2           HB2      ALA   2   7.713  17.254   4.367
   19    H    ALA   3           HN       ALA   3   8.027  13.044   2.895
   20    HA   ALA   3           HA       ALA   3   6.844  13.383   0.197
   21   1HB   ALA   3           HB1      ALA   3   9.428  11.999   0.827
   22   2HB   ALA   3           HB3      ALA   3   8.395  11.335  -0.440
   23   3HB   ALA   3           HB2      ALA   3   9.002  12.985  -0.571
   24    H    VAL   4           HN       VAL   4   5.369  11.743  -0.301
   25    HA   VAL   4           HA       VAL   4   5.211   9.394   1.502
   26    HB   VAL   4           HB       VAL   4   2.655   9.871   1.612
   27   1HG1  VAL   4          HG11      VAL   4   4.363  10.000   3.497
   28   2HG1  VAL   4          HG13      VAL   4   4.468  11.730   3.169
   29   3HG1  VAL   4          HG12      VAL   4   2.940  11.023   3.698
   30   1HG2  VAL   4          HG21      VAL   4   3.297  11.963  -0.002
   31   2HG2  VAL   4          HG23      VAL   4   1.886  11.952   1.056
   32   3HG2  VAL   4          HG22      VAL   4   3.372  12.749   1.575
   33    H    SER   5           HN       SER   5   5.550   7.945  -0.178
   34    HA   SER   5           HA       SER   5   3.332   7.447  -1.977
   35   1HB   SER   5           HB2      SER   5   5.934   8.232  -3.304
   36   2HB   SER   5           HB1      SER   5   4.379   7.926  -4.072
   37    HG   SER   5           HG       SER   5   4.311  10.054  -3.898
   38    H    VAL   6           HN       VAL   6   3.293   5.254  -1.825
   39    HA   VAL   6           HA       VAL   6   5.824   3.779  -1.440
   40    HB   VAL   6           HB       VAL   6   2.945   2.824  -1.477
   41   1HG1  VAL   6          HG13      VAL   6   5.581   1.441  -0.991
   42   2HG1  VAL   6          HG12      VAL   6   4.087   0.829  -0.277
   43   3HG1  VAL   6          HG11      VAL   6   4.248   0.935  -2.030
   44   1HG2  VAL   6          HG21      VAL   6   3.716   4.379   0.407
   45   2HG2  VAL   6          HG23      VAL   6   3.082   2.813   0.911
   46   3HG2  VAL   6          HG22      VAL   6   4.823   3.091   0.881
   47    H    ASP   7           HN       ASP   7   6.162   1.773  -2.797
   48    HA   ASP   7           HA       ASP   7   6.013   2.438  -5.610
   49   1HB   ASP   7           HB2      ASP   7   7.767   0.970  -4.405
   50   2HB   ASP   7           HB1      ASP   7   6.569  -0.320  -4.505
   51    H    CYS   8           HN       CYS   8   4.480   1.787  -7.116
   52    HA   CYS   8           HA       CYS   8   2.602  -0.366  -6.428
   53   1HB   CYS   8           HB2      CYS   8   1.775   1.891  -5.474
   54   2HB   CYS   8           HB1      CYS   8   1.477   2.340  -7.149
   55    H    SER   9           HN       SER   9   4.634   0.619  -8.581
   56    HA   SER   9           HA       SER   9   2.898   0.647 -10.973
   57   1HB   SER   9           HB2      SER   9   4.771   2.162 -11.040
   58   2HB   SER   9           HB1      SER   9   5.893   0.880 -10.598
   59    HG   SER   9           HG       SER   9   5.815   0.116 -12.585
   60    H    GLU  10           HN       GLU  10   3.446  -1.781  -9.106
   61    HA   GLU  10           HA       GLU  10   3.959  -3.660 -11.359
   62   1HB   GLU  10           HB2      GLU  10   5.341  -3.667  -8.667
   63   2HB   GLU  10           HB1      GLU  10   5.313  -5.073  -9.733
   64   1HG   GLU  10           HG2      GLU  10   7.330  -3.961 -10.291
   65   2HG   GLU  10           HG1      GLU  10   6.200  -3.475 -11.557
   66    H    TYR  11           HN       TYR  11   1.492  -2.850  -9.944
   67    HA   TYR  11           HA       TYR  11   0.711  -5.515  -8.965
   68   1HB   TYR  11           HB2      TYR  11  -0.011  -2.815  -7.806
   69   2HB   TYR  11           HB1      TYR  11  -0.748  -4.328  -7.294
   70    HD1  TYR  11           HD2      TYR  11   2.356  -2.332  -7.308
   71    HD2  TYR  11           HD1      TYR  11   0.529  -6.006  -6.034
   72    HE1  TYR  11           HE2      TYR  11   4.286  -2.774  -5.822
   73    HE2  TYR  11           HE1      TYR  11   2.463  -6.439  -4.536
   74    HH   TYR  11           HH       TYR  11   5.364  -4.918  -4.790
   75    HA   PRO  12           HA       PRO  12  -1.611  -5.773  -7.975
   76   1HB   PRO  12           HB2      PRO  12  -3.091  -7.890  -8.932
   77   2HB   PRO  12           HB1      PRO  12  -3.802  -6.357  -8.394
   78   1HG   PRO  12           HG2      PRO  12  -3.313  -7.325 -11.195
   79   2HG   PRO  12           HG1      PRO  12  -4.626  -6.307 -10.574
   80   1HD   PRO  12           HD2      PRO  12  -2.407  -5.319 -11.926
   81   2HD   PRO  12           HD1      PRO  12  -3.418  -4.389 -10.874
   82    H    LYS  13           HN       LYS  13  -0.975  -8.024  -7.334
   83    HA   LYS  13           HA       LYS  13   0.950  -9.263  -9.256
   84   1HB   LYS  13           HB2      LYS  13   1.442  -7.998  -6.683
   85   2HB   LYS  13           HB1      LYS  13   1.965  -9.679  -6.686
   86   1HG   LYS  13           HG2      LYS  13   3.080  -9.127  -8.954
   87   2HG   LYS  13           HG1      LYS  13   2.848  -7.437  -8.501
   88   1HD   LYS  13           HD2      LYS  13   3.930  -8.867  -6.254
   89   2HD   LYS  13           HD1      LYS  13   4.932  -9.178  -7.671
   90   1HE   LYS  13           HE2      LYS  13   4.545  -6.515  -7.966
   91   2HE   LYS  13           HE1      LYS  13   4.457  -6.636  -6.209
   92   1HZ   LYS  13           HZ2      LYS  13   6.609  -8.097  -7.522
   93   2HZ   LYS  13           HZ1      LYS  13   6.740  -6.403  -7.511
   94   3HZ   LYS  13           HZ3      LYS  13   6.609  -7.252  -6.048
   95    HA   PRO  14           HA       PRO  14  -1.174 -12.941  -8.026
   96   1HB   PRO  14           HB2      PRO  14   0.606 -14.745  -9.091
   97   2HB   PRO  14           HB1      PRO  14  -0.550 -13.814 -10.059
   98   1HG   PRO  14           HG2      PRO  14   2.393 -13.437  -9.776
   99   2HG   PRO  14           HG1      PRO  14   1.332 -12.999 -11.122
  100   1HD   PRO  14           HD2      PRO  14   2.361 -11.227  -9.202
  101   2HD   PRO  14           HD1      PRO  14   1.045 -10.880 -10.299
  102    H    ALA  15           HN       ALA  15   1.262 -11.723  -6.392
  103    HA   ALA  15           HA       ALA  15   1.199 -13.696  -4.293
  104   1HB   ALA  15           HB1      ALA  15   3.790 -13.427  -5.852
  105   2HB   ALA  15           HB3      ALA  15   3.588 -14.330  -4.351
  106   3HB   ALA  15           HB2      ALA  15   2.761 -14.858  -5.816
  107    H    CYS  16           HN       CYS  16   0.945 -12.139  -2.729
  108    HA   CYS  16           HA       CYS  16   2.435  -9.616  -2.875
  109   1HB   CYS  16           HB2      CYS  16   0.505 -10.732  -0.817
  110   2HB   CYS  16           HB1      CYS  16   1.258  -9.144  -0.694
  111    H    THR  17           HN       THR  17   4.164  -9.021  -1.566
  112    HA   THR  17           HA       THR  17   5.984 -10.931  -0.637
  113    HB   THR  17           HB       THR  17   6.595  -8.937   1.042
  114    HG1  THR  17           HG1      THR  17   5.854  -6.985  -0.058
  115   1HG2  THR  17          HG22      THR  17   7.585  -9.789  -1.281
  116   2HG2  THR  17          HG21      THR  17   6.915  -8.259  -1.847
  117   3HG2  THR  17          HG23      THR  17   8.118  -8.271  -0.557
  118    H    LEU  18           HN       LEU  18   6.600 -11.006   1.894
  119    HA   LEU  18           HA       LEU  18   4.038 -11.629   3.300
  120   1HB   LEU  18           HB2      LEU  18   5.513 -13.244   4.646
  121   2HB   LEU  18           HB1      LEU  18   5.194 -13.685   2.969
  122    HG   LEU  18           HG       LEU  18   7.588 -11.990   3.492
  123   1HD1  LEU  18          HD12      LEU  18   7.140 -14.513   4.826
  124   2HD1  LEU  18          HD11      LEU  18   8.461 -14.671   3.667
  125   3HD1  LEU  18          HD13      LEU  18   8.536 -13.441   4.928
  126   1HD2  LEU  18          HD22      LEU  18   6.497 -13.746   1.441
  127   2HD2  LEU  18          HD21      LEU  18   7.775 -12.540   1.308
  128   3HD2  LEU  18          HD23      LEU  18   8.161 -14.178   1.834
  129    H    GLU  19           HN       GLU  19   6.626  -9.502   3.285
  130    HA   GLU  19           HA       GLU  19   7.257  -9.218   6.043
  131   1HB   GLU  19           HB2      GLU  19   6.953  -6.822   4.239
  132   2HB   GLU  19           HB1      GLU  19   8.161  -7.118   5.488
  133   1HG   GLU  19           HG2      GLU  19   7.987  -8.339   2.733
  134   2HG   GLU  19           HG1      GLU  19   9.324  -7.441   3.447
  135    H    TYR  20           HN       TYR  20   6.482  -6.877   7.085
  136    HA   TYR  20           HA       TYR  20   3.510  -6.824   6.831
  137   1HB   TYR  20           HB2      TYR  20   4.194  -8.114   8.861
  138   2HB   TYR  20           HB1      TYR  20   5.009  -6.665   9.458
  139    HD1  TYR  20           HD2      TYR  20   1.789  -6.994   7.590
  140    HD2  TYR  20           HD1      TYR  20   3.706  -5.919  11.281
  141    HE1  TYR  20           HE2      TYR  20  -0.368  -6.128   8.454
  142    HE2  TYR  20           HE1      TYR  20   1.550  -5.052  12.148
  143    HH   TYR  20           HH       TYR  20  -1.058  -4.373  10.236
  144    H    ARG  21           HN       ARG  21   3.807  -4.894   5.559
  145    HA   ARG  21           HA       ARG  21   4.697  -2.528   7.159
  146   1HB   ARG  21           HB2      ARG  21   4.430  -2.688   4.143
  147   2HB   ARG  21           HB1      ARG  21   5.214  -1.419   5.084
  148   1HG   ARG  21           HG2      ARG  21   6.163  -4.264   5.305
  149   2HG   ARG  21           HG1      ARG  21   6.702  -3.252   3.965
  150   1HD   ARG  21           HD2      ARG  21   7.885  -1.817   5.339
  151   2HD   ARG  21           HD1      ARG  21   6.838  -2.113   6.725
  152    HE   ARG  21           HE       ARG  21   8.182  -4.537   6.180
  153   1HH1  ARG  21          HH11      ARG  21   8.818  -1.287   7.162
  154   2HH1  ARG  21          HH12      ARG  21  10.250  -1.699   8.043
  155   1HH2  ARG  21          HH21      ARG  21  10.069  -5.078   7.296
  156   2HH2  ARG  21          HH22      ARG  21  10.957  -3.841   8.121
  157    HA   PRO  22           HA       PRO  22   0.166  -2.229   6.818
  158   1HB   PRO  22           HB2      PRO  22  -0.094  -0.802   9.170
  159   2HB   PRO  22           HB1      PRO  22  -0.082  -2.577   9.077
  160   1HG   PRO  22           HG2      PRO  22   2.114  -0.722   9.934
  161   2HG   PRO  22           HG1      PRO  22   1.753  -2.366  10.489
  162   1HD   PRO  22           HD2      PRO  22   3.779  -1.734   8.682
  163   2HD   PRO  22           HD1      PRO  22   3.027  -3.339   8.824
  164    H    LEU  23           HN       LEU  23   0.036  -0.773   5.106
  165    HA   LEU  23           HA       LEU  23   0.963   2.009   5.586
  166   1HB   LEU  23           HB2      LEU  23  -0.179   0.872   3.024
  167   2HB   LEU  23           HB1      LEU  23   0.848   2.295   3.220
  168    HG   LEU  23           HG       LEU  23   2.022  -0.185   4.293
  169   1HD1  LEU  23          HD13      LEU  23   1.476   0.132   1.332
  170   2HD1  LEU  23          HD12      LEU  23   2.656  -0.994   2.005
  171   3HD1  LEU  23          HD11      LEU  23   0.943  -1.188   2.372
  172   1HD2  LEU  23          HD23      LEU  23   2.840   2.348   3.432
  173   2HD2  LEU  23          HD22      LEU  23   3.888   1.015   3.915
  174   3HD2  LEU  23          HD21      LEU  23   3.470   1.237   2.216
  175    H    CYS  24           HN       CYS  24  -0.509   3.469   6.250
  176    HA   CYS  24           HA       CYS  24  -3.349   2.715   6.150
  177   1HB   CYS  24           HB2      CYS  24  -1.798   4.872   7.571
  178   2HB   CYS  24           HB1      CYS  24  -3.550   4.933   7.479
  179    H    GLY  25           HN       GLY  25  -4.607   3.310   4.529
  180   1HA   GLY  25           HA2      GLY  25  -3.901   4.805   2.300
  181   2HA   GLY  25           HA1      GLY  25  -5.496   4.618   2.831
  182    H    SER  26           HN       SER  26  -5.266   7.001   1.757
  183    HA   SER  26           HA       SER  26  -4.403   8.936   3.829
  184   1HB   SER  26           HB2      SER  26  -5.683  10.364   1.824
  185   2HB   SER  26           HB1      SER  26  -3.962  10.030   1.895
  186    HG   SER  26           HG       SER  26  -5.918   9.017   0.287
  187    H    ASP  27           HN       ASP  27  -7.063   7.038   3.380
  188    HA   ASP  27           HA       ASP  27  -8.989   9.099   4.333
  189   1HB   ASP  27           HB2      ASP  27 -10.734   7.587   3.688
  190   2HB   ASP  27           HB1      ASP  27  -9.566   7.575   2.367
  191    H    ASN  28           HN       ASN  28  -7.228   6.247   5.223
  192    HA   ASN  28           HA       ASN  28  -6.716   6.010   7.655
  193   1HB   ASN  28           HB2      ASN  28  -8.608   7.478   8.358
  194   2HB   ASN  28           HB1      ASN  28  -9.728   6.170   7.974
  195   1HD2  ASN  28          HD22      ASN  28  -7.342   5.879  11.300
  196   2HD2  ASN  28          HD21      ASN  28  -6.966   7.013  10.094
  197    H    LYS  29           HN       LYS  29  -7.093   4.291   5.348
  198    HA   LYS  29           HA       LYS  29  -8.448   1.919   6.547
  199   1HB   LYS  29           HB2      LYS  29  -8.918   2.614   4.143
  200   2HB   LYS  29           HB1      LYS  29  -7.250   2.179   3.773
  201   1HG   LYS  29           HG2      LYS  29  -8.938   0.346   3.329
  202   2HG   LYS  29           HG1      LYS  29  -7.623  -0.112   4.411
  203   1HD   LYS  29           HD2      LYS  29  -9.014   0.154   6.352
  204   2HD   LYS  29           HD1      LYS  29 -10.294   0.910   5.403
  205   1HE   LYS  29           HE2      LYS  29  -9.589  -1.669   4.285
  206   2HE   LYS  29           HE1      LYS  29 -10.025  -1.828   5.986
  207   1HZ   LYS  29           HZ2      LYS  29 -11.695  -0.148   4.260
  208   2HZ   LYS  29           HZ1      LYS  29 -11.842  -1.836   4.130
  209   3HZ   LYS  29           HZ3      LYS  29 -12.129  -1.073   5.617
  210    H    THR  30           HN       THR  30  -7.120  -0.218   6.230
  211    HA   THR  30           HA       THR  30  -4.204   0.383   6.514
  212    HB   THR  30           HB       THR  30  -5.810  -1.523   8.239
  213    HG1  THR  30           HG1      THR  30  -4.943  -0.049   9.866
  214   1HG2  THR  30          HG23      THR  30  -2.843  -0.924   8.078
  215   2HG2  THR  30          HG22      THR  30  -3.595  -1.796   9.413
  216   3HG2  THR  30          HG21      THR  30  -3.631  -2.474   7.785
  217    H    TYR  31           HN       TYR  31  -2.917  -0.890   5.319
  218    HA   TYR  31           HA       TYR  31  -4.073  -3.418   4.205
  219   1HB   TYR  31           HB2      TYR  31  -2.254  -1.365   2.928
  220   2HB   TYR  31           HB1      TYR  31  -2.475  -2.982   2.262
  221    HD1  TYR  31           HD1      TYR  31  -4.369   0.050   3.364
  222    HD2  TYR  31           HD2      TYR  31  -4.353  -3.468   0.902
  223    HE1  TYR  31           HE1      TYR  31  -6.489   0.779   2.307
  224    HE2  TYR  31           HE2      TYR  31  -6.469  -2.737  -0.157
  225    HH   TYR  31           HH       TYR  31  -8.489  -1.130   0.701
  226    H    GLY  32           HN       GLY  32  -2.925  -5.220   4.748
  227   1HA   GLY  32           HA2      GLY  32  -1.043  -5.342   6.711
  228   2HA   GLY  32           HA1      GLY  32  -1.078  -6.539   5.434
  229    H    ASN  33           HN       ASN  33  -0.080  -5.359   3.243
  230    HA   ASN  33           HA       ASN  33   2.351  -3.884   4.103
  231   1HB   ASN  33           HB2      ASN  33   3.775  -5.341   2.663
  232   2HB   ASN  33           HB1      ASN  33   3.089  -6.171   4.035
  233   1HD2  ASN  33          HD22      ASN  33   2.519  -8.408   1.173
  234   2HD2  ASN  33          HD21      ASN  33   3.833  -7.863   2.094
  235    H    LYS  34           HN       LYS  34   3.650  -3.842   1.680
  236    HA   LYS  34           HA       LYS  34   2.329  -1.731   0.326
  237   1HB   LYS  34           HB2      LYS  34   4.227  -1.905  -1.172
  238   2HB   LYS  34           HB1      LYS  34   4.788  -2.150   0.472
  239   1HG   LYS  34           HG2      LYS  34   4.408  -4.673   0.014
  240   2HG   LYS  34           HG1      LYS  34   4.357  -4.211  -1.691
  241   1HD   LYS  34           HD2      LYS  34   6.611  -3.043  -0.190
  242   2HD   LYS  34           HD1      LYS  34   6.659  -4.802  -0.324
  243   1HE   LYS  34           HE2      LYS  34   7.803  -3.884  -2.248
  244   2HE   LYS  34           HE1      LYS  34   6.264  -4.549  -2.800
  245   1HZ   LYS  34           HZ3      LYS  34   6.513  -1.712  -2.017
  246   2HZ   LYS  34           HZ2      LYS  34   6.915  -2.226  -3.587
  247   3HZ   LYS  34           HZ1      LYS  34   5.336  -2.443  -2.995
  248    H    CYS  35           HN       CYS  35   2.513  -5.226  -0.383
  249    HA   CYS  35           HA       CYS  35   1.512  -4.995  -3.064
  250   1HB   CYS  35           HB2      CYS  35   2.618  -7.043  -2.252
  251   2HB   CYS  35           HB1      CYS  35   1.276  -7.326  -1.141
  252    H    ASN  36           HN       ASN  36  -0.084  -5.205   0.075
  253    HA   ASN  36           HA       ASN  36  -2.731  -5.510  -1.155
  254   1HB   ASN  36           HB2      ASN  36  -1.698  -5.244   1.656
  255   2HB   ASN  36           HB1      ASN  36  -3.413  -5.011   1.326
  256   1HD2  ASN  36          HD22      ASN  36  -1.789  -8.751   1.054
  257   2HD2  ASN  36          HD21      ASN  36  -0.789  -7.396   1.241
  258    H    PHE  37           HN       PHE  37  -0.891  -2.958   0.490
  259    HA   PHE  37           HA       PHE  37  -2.926  -0.945   0.418
  260   1HB   PHE  37           HB2      PHE  37  -0.746  -0.901   1.671
  261   2HB   PHE  37           HB1      PHE  37   0.053  -0.407   0.272
  262    HD1  PHE  37           HD1      PHE  37  -2.843   0.605   2.381
  263    HD2  PHE  37           HD2      PHE  37   0.102   1.662  -0.520
  264    HE1  PHE  37           HE1      PHE  37  -3.605   2.949   2.496
  265    HE2  PHE  37           HE2      PHE  37  -0.631   4.021  -0.440
  266    HZ   PHE  37           HZ       PHE  37  -2.484   4.699   1.072
  267    H    CYS  38           HN       CYS  38  -0.572  -2.053  -1.769
  268    HA   CYS  38           HA       CYS  38  -0.997   0.173  -3.641
  269   1HB   CYS  38           HB2      CYS  38   1.208  -0.698  -3.742
  270   2HB   CYS  38           HB1      CYS  38   0.641  -2.366  -3.813
  271    H    ASN  39           HN       ASN  39  -1.560  -3.389  -3.866
  272    HA   ASN  39           HA       ASN  39  -2.980  -3.482  -6.233
  273   1HB   ASN  39           HB2      ASN  39  -3.686  -4.874  -3.622
  274   2HB   ASN  39           HB1      ASN  39  -4.385  -5.298  -5.187
  275   1HD2  ASN  39          HD22      ASN  39  -1.655  -7.611  -5.289
  276   2HD2  ASN  39          HD21      ASN  39  -3.313  -7.461  -4.950
  277    H    ALA  40           HN       ALA  40  -3.979  -2.044  -3.206
  278    HA   ALA  40           HA       ALA  40  -6.732  -1.583  -4.084
  279   1HB   ALA  40           HB3      ALA  40  -5.152  -1.174  -1.660
  280   2HB   ALA  40           HB2      ALA  40  -6.152   0.230  -2.034
  281   3HB   ALA  40           HB1      ALA  40  -6.897  -1.355  -1.830
  282    H    VAL  41           HN       VAL  41  -3.767   0.328  -3.665
  283    HA   VAL  41           HA       VAL  41  -4.728   2.818  -4.632
  284    HB   VAL  41           HB       VAL  41  -1.975   1.551  -4.806
  285   1HG1  VAL  41          HG12      VAL  41  -3.035   4.150  -5.754
  286   2HG1  VAL  41          HG11      VAL  41  -1.528   4.228  -4.844
  287   3HG1  VAL  41          HG13      VAL  41  -1.628   3.241  -6.301
  288   1HG2  VAL  41          HG21      VAL  41  -3.347   2.290  -2.577
  289   2HG2  VAL  41          HG23      VAL  41  -1.589   2.366  -2.709
  290   3HG2  VAL  41          HG22      VAL  41  -2.559   3.814  -2.984
  291    H    VAL  42           HN       VAL  42  -2.719   0.472  -6.428
  292    HA   VAL  42           HA       VAL  42  -3.018   1.568  -8.965
  293    HB   VAL  42           HB       VAL  42  -1.329  -0.074  -8.556
  294   1HG1  VAL  42          HG11      VAL  42  -3.381  -1.399  -7.105
  295   2HG1  VAL  42          HG13      VAL  42  -2.807  -2.506  -8.354
  296   3HG1  VAL  42          HG12      VAL  42  -1.670  -1.812  -7.199
  297   1HG2  VAL  42          HG21      VAL  42  -3.017  -0.170 -10.714
  298   2HG2  VAL  42          HG23      VAL  42  -1.491  -1.044 -10.583
  299   3HG2  VAL  42          HG22      VAL  42  -3.006  -1.849 -10.169
  300    H    GLU  43           HN       GLU  43  -5.256  -0.630  -7.251
  301    HA   GLU  43           HA       GLU  43  -6.866  -0.885  -9.730
  302   1HB   GLU  43           HB2      GLU  43  -6.476  -2.631  -7.625
  303   2HB   GLU  43           HB1      GLU  43  -8.040  -1.944  -7.258
  304   1HG   GLU  43           HG2      GLU  43  -8.389  -2.368  -9.886
  305   2HG   GLU  43           HG1      GLU  43  -7.224  -3.648  -9.546
  306    H    SER  44           HN       SER  44  -6.571   1.245  -7.163
  307    HA   SER  44           HA       SER  44  -9.438   2.062  -7.343
  308   1HB   SER  44           HB2      SER  44  -9.187   3.082  -5.202
  309   2HB   SER  44           HB1      SER  44  -8.352   1.537  -5.074
  310    HG   SER  44           HG       SER  44  -6.420   2.764  -5.681
  311    H    ASN  45           HN       ASN  45  -7.340   2.704  -9.351
  312    HA   ASN  45           HA       ASN  45  -6.409   4.564 -10.450
  313   1HB   ASN  45           HB2      ASN  45  -8.080   6.571 -10.404
  314   2HB   ASN  45           HB1      ASN  45  -8.572   5.085 -11.198
  315   1HD2  ASN  45          HD22      ASN  45 -10.969   4.232  -8.669
  316   2HD2  ASN  45          HD21      ASN  45  -9.954   3.567  -9.857
  317    H    GLY  46           HN       GLY  46  -5.184   4.318  -8.053
  318   1HA   GLY  46           HA2      GLY  46  -4.192   5.481  -6.264
  319   2HA   GLY  46           HA1      GLY  46  -3.918   6.688  -7.510
  320    H    THR  47           HN       THR  47  -6.900   5.572  -5.957
  321    HA   THR  47           HA       THR  47  -7.482   8.410  -5.233
  322    HB   THR  47           HB       THR  47  -9.133   7.169  -6.698
  323    HG1  THR  47           HG1      THR  47 -10.071   8.781  -5.648
  324   1HG2  THR  47          HG21      THR  47  -8.679   5.096  -4.936
  325   2HG2  THR  47          HG23      THR  47 -10.249   5.707  -4.411
  326   3HG2  THR  47          HG22      THR  47 -10.021   5.182  -6.078
  327    H    LEU  48           HN       LEU  48  -6.591   5.381  -3.974
  328    HA   LEU  48           HA       LEU  48  -7.803   5.730  -1.342
  329   1HB   LEU  48           HB2      LEU  48  -7.468   3.471  -1.790
  330   2HB   LEU  48           HB1      LEU  48  -5.951   3.766  -2.636
  331    HG   LEU  48           HG       LEU  48  -4.753   4.070  -0.604
  332   1HD1  LEU  48          HD11      LEU  48  -7.364   4.856   0.389
  333   2HD1  LEU  48          HD13      LEU  48  -6.603   3.700   1.481
  334   3HD1  LEU  48          HD12      LEU  48  -5.774   5.196   1.064
  335   1HD2  LEU  48          HD23      LEU  48  -6.705   1.794  -0.628
  336   2HD2  LEU  48          HD22      LEU  48  -4.956   1.766  -0.840
  337   3HD2  LEU  48          HD21      LEU  48  -5.645   1.993   0.767
  338    H    THR  49           HN       THR  49  -4.526   5.856  -2.619
  339    HA   THR  49           HA       THR  49  -2.575   6.886  -1.881
  340    HB   THR  49           HB       THR  49  -3.454   9.122  -0.549
  341    HG1  THR  49           HG1      THR  49  -5.345   9.743  -1.505
  342   1HG2  THR  49          HG21      THR  49  -2.249   8.512  -2.961
  343   2HG2  THR  49          HG23      THR  49  -3.679   9.436  -3.424
  344   3HG2  THR  49          HG22      THR  49  -2.504  10.130  -2.306
  345    H    LEU  50           HN       LEU  50  -1.542   7.839   0.224
  346    HA   LEU  50           HA       LEU  50  -2.757   6.570   2.587
  347   1HB   LEU  50           HB2      LEU  50  -1.105   5.064   2.539
  348   2HB   LEU  50           HB1      LEU  50  -0.353   5.869   1.174
  349    HG   LEU  50           HG       LEU  50   0.031   7.081   3.876
  350   1HD1  LEU  50          HD12      LEU  50   0.296   4.420   3.649
  351   2HD1  LEU  50          HD11      LEU  50   1.879   4.933   3.065
  352   3HD1  LEU  50          HD13      LEU  50   1.336   5.411   4.674
  353   1HD2  LEU  50          HD22      LEU  50   1.071   7.385   1.258
  354   2HD2  LEU  50          HD21      LEU  50   1.656   8.170   2.726
  355   3HD2  LEU  50          HD23      LEU  50   2.358   6.638   2.204
  356    H    SER  51           HN       SER  51  -2.012   7.514   4.616
  357    HA   SER  51           HA       SER  51  -1.177  10.358   4.258
  358   1HB   SER  51           HB2      SER  51  -3.489   9.217   5.574
  359   2HB   SER  51           HB1      SER  51  -2.467   9.987   6.739
  360    HG   SER  51           HG       SER  51  -3.341  11.759   6.039
  361    H    HIS  52           HN       HIS  52  -0.625   7.321   5.815
  362    HA   HIS  52           HA       HIS  52   1.887   8.241   6.923
  363   1HB   HIS  52           HB2      HIS  52   1.370   8.130   9.258
  364   2HB   HIS  52           HB1      HIS  52   0.119   9.140   8.531
  365    HD1  HIS  52           HD1      HIS  52   0.508   6.275  10.676
  366    HD2  HIS  52           HD2      HIS  52  -2.290   7.406   7.795
  367    HE1  HIS  52           HE1      HIS  52  -1.553   4.865  11.083
  368    H    PHE  53           HN       PHE  53   3.221   6.466   7.049
  369    HA   PHE  53           HA       PHE  53   2.240   3.845   6.368
  370   1HB   PHE  53           HB2      PHE  53   4.873   4.877   7.441
  371   2HB   PHE  53           HB1      PHE  53   4.594   3.153   7.181
  372    HD1  PHE  53           HD2      PHE  53   4.295   6.458   5.440
  373    HD2  PHE  53           HD1      PHE  53   4.932   2.228   5.056
  374    HE1  PHE  53           HE2      PHE  53   4.741   6.745   3.020
  375    HE2  PHE  53           HE1      PHE  53   5.376   2.515   2.634
  376    HZ   PHE  53           HZ       PHE  53   5.282   4.774   1.615
  377    H    GLY  54           HN       GLY  54   2.830   1.926   8.007
  378   1HA   GLY  54           HA2      GLY  54   2.691   1.040  10.191
  379   2HA   GLY  54           HA1      GLY  54   2.404   2.664  10.795
  380    H    LYS  55           HN       LYS  55   0.746   0.937  11.806
  381    HA   LYS  55           HA       LYS  55  -1.683   0.672  10.177
  382   1HB   LYS  55           HB2      LYS  55  -2.236   0.210  12.965
  383   2HB   LYS  55           HB1      LYS  55  -2.208  -0.952  11.646
  384   1HG   LYS  55           HG2      LYS  55   0.325  -1.025  11.926
  385   2HG   LYS  55           HG1      LYS  55   0.087  -0.133  13.429
  386   1HD   LYS  55           HD2      LYS  55  -1.603  -1.961  14.060
  387   2HD   LYS  55           HD1      LYS  55  -0.930  -2.889  12.720
  388   1HE   LYS  55           HE2      LYS  55   0.861  -3.474  13.949
  389   2HE   LYS  55           HE1      LYS  55   1.198  -1.787  14.340
  390   1HZ   LYS  55           HZ1      LYS  55  -0.748  -2.054  15.970
  391   2HZ   LYS  55           HZ3      LYS  55  -0.490  -3.721  15.791
  392   3HZ   LYS  55           HZ2      LYS  55   0.754  -2.730  16.387
  393    H    CYS  56           HN       CYS  56  -3.668   1.674  10.692
  394    HA   CYS  56           HA       CYS  56  -3.353   4.463  11.387
  395   1HB   CYS  56           HB2      CYS  56  -6.043   3.189  11.096
  396   2HB   CYS  56           HB1      CYS  56  -5.477   4.754  10.519
   
  No H/Q in entry =         396
  Start of MODEL          47
 Raw file had  401 H/Q atoms
  Start of MODEL   47
    1   1H    LEU   1           HT1      LEU   1   4.114  20.690  -1.822
    2   2H    LEU   1           HT3      LEU   1   3.894  20.033  -0.274
    3   3H    LEU   1           HT2      LEU   1   5.171  21.116  -0.562
    4    HA   LEU   1           HA       LEU   1   6.405  19.584  -1.756
    5   1HB   LEU   1           HB2      LEU   1   4.897  18.213   0.481
    6   2HB   LEU   1           HB1      LEU   1   6.249  17.450  -0.356
    7    HG   LEU   1           HG       LEU   1   7.111  20.062   0.282
    8   1HD1  LEU   1          HD13      LEU   1   5.709  18.679   2.591
    9   2HD1  LEU   1          HD12      LEU   1   6.824  20.035   2.767
   10   3HD1  LEU   1          HD11      LEU   1   5.301  20.252   1.905
   11   1HD2  LEU   1          HD23      LEU   1   7.742  17.251   0.963
   12   2HD2  LEU   1          HD22      LEU   1   8.814  18.550   0.439
   13   3HD2  LEU   1          HD21      LEU   1   8.318  18.444   2.128
   14    H    ALA   2           HN       ALA   2   6.172  16.900  -2.178
   15    HA   ALA   2           HA       ALA   2   4.132  16.811  -4.318
   16   1HB   ALA   2           HB1      ALA   2   6.343  14.862  -3.593
   17   2HB   ALA   2           HB3      ALA   2   5.304  14.743  -5.014
   18   3HB   ALA   2           HB2      ALA   2   6.429  16.092  -4.853
   19    H    ALA   3           HN       ALA   3   5.264  14.346  -1.983
   20    HA   ALA   3           HA       ALA   3   2.916  13.958  -0.529
   21   1HB   ALA   3           HB3      ALA   3   2.816  12.750  -3.266
   22   2HB   ALA   3           HB2      ALA   3   2.135  11.827  -1.927
   23   3HB   ALA   3           HB1      ALA   3   1.511  13.434  -2.296
   24    H    VAL   4           HN       VAL   4   2.997  11.980   0.733
   25    HA   VAL   4           HA       VAL   4   5.633  10.587   0.489
   26    HB   VAL   4           HB       VAL   4   4.102  10.348   3.020
   27   1HG1  VAL   4          HG13      VAL   4   6.721   9.938   2.079
   28   2HG1  VAL   4          HG12      VAL   4   6.828  11.320   3.168
   29   3HG1  VAL   4          HG11      VAL   4   6.160   9.793   3.745
   30   1HG2  VAL   4          HG22      VAL   4   3.698  12.722   2.445
   31   2HG2  VAL   4          HG21      VAL   4   4.812  12.580   3.805
   32   3HG2  VAL   4          HG23      VAL   4   5.429  12.953   2.197
   33    H    SER   5           HN       SER   5   4.566   9.131  -1.103
   34    HA   SER   5           HA       SER   5   2.887   7.076   0.280
   35   1HB   SER   5           HB2      SER   5   1.874   8.554  -1.659
   36   2HB   SER   5           HB1      SER   5   2.785   7.461  -2.695
   37    HG   SER   5           HG       SER   5   1.120   6.202  -2.420
   38    H    VAL   6           HN       VAL   6   2.989   5.074  -1.595
   39    HA   VAL   6           HA       VAL   6   5.917   4.480  -1.713
   40    HB   VAL   6           HB       VAL   6   4.211   3.078  -0.268
   41   1HG1  VAL   6          HG12      VAL   6   2.773   2.809  -2.436
   42   2HG1  VAL   6          HG11      VAL   6   3.940   1.552  -2.846
   43   3HG1  VAL   6          HG13      VAL   6   2.981   1.419  -1.371
   44   1HG2  VAL   6          HG21      VAL   6   6.609   2.420  -1.779
   45   2HG2  VAL   6          HG23      VAL   6   6.159   1.948  -0.139
   46   3HG2  VAL   6          HG22      VAL   6   5.604   0.994  -1.515
   47    H    ASP   7           HN       ASP   7   5.751   2.266  -3.452
   48    HA   ASP   7           HA       ASP   7   4.824   3.582  -5.972
   49   1HB   ASP   7           HB2      ASP   7   7.307   3.284  -5.748
   50   2HB   ASP   7           HB1      ASP   7   7.046   1.542  -5.649
   51    H    CYS   8           HN       CYS   8   3.338   2.450  -7.173
   52    HA   CYS   8           HA       CYS   8   3.089  -0.476  -6.765
   53   1HB   CYS   8           HB2      CYS   8   0.609   1.226  -6.637
   54   2HB   CYS   8           HB1      CYS   8   0.837  -0.439  -6.100
   55    H    SER   9           HN       SER   9   4.105   0.715  -9.025
   56    HA   SER   9           HA       SER   9   1.908   1.013 -10.978
   57   1HB   SER   9           HB2      SER   9   3.991   2.456 -11.018
   58   2HB   SER   9           HB1      SER   9   4.894   1.020 -11.489
   59    HG   SER   9           HG       SER   9   2.559   1.704 -12.884
   60    H    GLU  10           HN       GLU  10   2.800  -1.581  -9.537
   61    HA   GLU  10           HA       GLU  10   2.868  -3.234 -12.021
   62   1HB   GLU  10           HB2      GLU  10   4.505  -3.656  -9.500
   63   2HB   GLU  10           HB1      GLU  10   4.376  -4.828 -10.812
   64   1HG   GLU  10           HG2      GLU  10   6.325  -3.678 -11.398
   65   2HG   GLU  10           HG1      GLU  10   5.102  -2.809 -12.324
   66    H    TYR  11           HN       TYR  11   0.932  -2.358  -9.693
   67    HA   TYR  11           HA       TYR  11   0.111  -5.031  -8.770
   68   1HB   TYR  11           HB2      TYR  11  -0.610  -2.207  -7.957
   69   2HB   TYR  11           HB1      TYR  11  -1.453  -3.615  -7.318
   70    HD1  TYR  11           HD2      TYR  11   1.729  -1.778  -7.416
   71    HD2  TYR  11           HD1      TYR  11  -0.304  -5.221  -5.848
   72    HE1  TYR  11           HE2      TYR  11   3.580  -2.137  -5.812
   73    HE2  TYR  11           HE1      TYR  11   1.555  -5.576  -4.237
   74    HH   TYR  11           HH       TYR  11   4.232  -3.271  -3.989
   75    HA   PRO  12           HA       PRO  12  -1.902  -5.350  -7.662
   76   1HB   PRO  12           HB2      PRO  12  -3.480  -7.561  -8.123
   77   2HB   PRO  12           HB1      PRO  12  -4.129  -5.977  -7.664
   78   1HG   PRO  12           HG2      PRO  12  -4.140  -7.306 -10.338
   79   2HG   PRO  12           HG1      PRO  12  -5.274  -6.120  -9.671
   80   1HD   PRO  12           HD2      PRO  12  -3.200  -5.555 -11.500
   81   2HD   PRO  12           HD1      PRO  12  -4.110  -4.375 -10.584
   82    H    LYS  13           HN       LYS  13  -0.688  -7.124  -6.888
   83    HA   LYS  13           HA       LYS  13   0.916  -8.529  -8.961
   84   1HB   LYS  13           HB2      LYS  13   1.518  -7.299  -6.476
   85   2HB   LYS  13           HB1      LYS  13   1.779  -9.029  -6.263
   86   1HG   LYS  13           HG2      LYS  13   2.959  -8.744  -8.653
   87   2HG   LYS  13           HG1      LYS  13   3.187  -7.103  -8.053
   88   1HD   LYS  13           HD2      LYS  13   4.122  -8.112  -5.927
   89   2HD   LYS  13           HD1      LYS  13   4.103  -9.674  -6.746
   90   1HE   LYS  13           HE2      LYS  13   5.471  -7.263  -7.947
   91   2HE   LYS  13           HE1      LYS  13   6.306  -8.356  -6.844
   92   1HZ   LYS  13           HZ2      LYS  13   4.854  -9.375  -9.206
   93   2HZ   LYS  13           HZ1      LYS  13   6.459  -8.831  -9.327
   94   3HZ   LYS  13           HZ3      LYS  13   6.081 -10.131  -8.306
   95    HA   PRO  14           HA       PRO  14  -1.184 -12.297  -8.019
   96   1HB   PRO  14           HB2      PRO  14   0.663 -14.022  -9.104
   97   2HB   PRO  14           HB1      PRO  14  -0.463 -13.052 -10.070
   98   1HG   PRO  14           HG2      PRO  14   2.459 -12.657  -9.632
   99   2HG   PRO  14           HG1      PRO  14   1.455 -12.168 -11.006
  100   1HD   PRO  14           HD2      PRO  14   2.367 -10.472  -8.964
  101   2HD   PRO  14           HD1      PRO  14   1.080 -10.099 -10.091
  102    H    ALA  15           HN       ALA  15   1.180 -11.152  -6.230
  103    HA   ALA  15           HA       ALA  15   1.063 -13.231  -4.237
  104   1HB   ALA  15           HB1      ALA  15   3.151 -13.430  -6.211
  105   2HB   ALA  15           HB3      ALA  15   3.869 -13.056  -4.644
  106   3HB   ALA  15           HB2      ALA  15   2.844 -14.479  -4.826
  107    H    CYS  16           HN       CYS  16   0.747 -11.767  -2.597
  108    HA   CYS  16           HA       CYS  16   2.135  -9.200  -2.587
  109   1HB   CYS  16           HB2      CYS  16   0.291 -10.555  -0.602
  110   2HB   CYS  16           HB1      CYS  16   1.026  -8.980  -0.306
  111    H    THR  17           HN       THR  17   3.879  -8.622  -1.326
  112    HA   THR  17           HA       THR  17   5.825 -10.477  -0.599
  113    HB   THR  17           HB       THR  17   6.392  -8.580   1.197
  114    HG1  THR  17           HG1      THR  17   4.510  -7.454   1.091
  115   1HG2  THR  17          HG21      THR  17   6.627  -8.664  -1.778
  116   2HG2  THR  17          HG23      THR  17   7.118  -7.185  -0.952
  117   3HG2  THR  17          HG22      THR  17   7.893  -8.718  -0.550
  118    H    LEU  18           HN       LEU  18   6.565 -10.793   1.824
  119    HA   LEU  18           HA       LEU  18   4.135 -11.686   3.308
  120   1HB   LEU  18           HB2      LEU  18   6.960 -12.753   3.195
  121   2HB   LEU  18           HB1      LEU  18   5.878 -13.175   4.522
  122    HG   LEU  18           HG       LEU  18   4.724 -13.434   1.804
  123   1HD1  LEU  18          HD13      LEU  18   7.100 -15.014   2.759
  124   2HD1  LEU  18          HD12      LEU  18   5.870 -15.799   1.768
  125   3HD1  LEU  18          HD11      LEU  18   6.748 -14.403   1.141
  126   1HD2  LEU  18          HD21      LEU  18   3.714 -14.071   4.095
  127   2HD2  LEU  18          HD23      LEU  18   3.594 -15.268   2.804
  128   3HD2  LEU  18          HD22      LEU  18   4.821 -15.444   4.059
  129    H    GLU  19           HN       GLU  19   7.247  -9.998   3.635
  130    HA   GLU  19           HA       GLU  19   7.399  -9.585   6.376
  131   1HB   GLU  19           HB2      GLU  19   8.155  -7.175   5.725
  132   2HB   GLU  19           HB1      GLU  19   9.100  -8.538   5.127
  133   1HG   GLU  19           HG2      GLU  19   6.864  -7.858   3.363
  134   2HG   GLU  19           HG1      GLU  19   8.004  -6.528   3.563
  135    H    TYR  20           HN       TYR  20   6.526  -7.871   7.779
  136    HA   TYR  20           HA       TYR  20   3.734  -7.252   7.012
  137   1HB   TYR  20           HB2      TYR  20   4.259  -8.351   9.219
  138   2HB   TYR  20           HB1      TYR  20   5.060  -6.857   9.704
  139    HD1  TYR  20           HD2      TYR  20   1.983  -7.219   7.619
  140    HD2  TYR  20           HD1      TYR  20   3.624  -6.032  11.408
  141    HE1  TYR  20           HE2      TYR  20  -0.200  -6.248   8.255
  142    HE2  TYR  20           HE1      TYR  20   1.432  -5.063  12.049
  143    HH   TYR  20           HH       TYR  20  -0.977  -4.386   9.901
  144    H    ARG  21           HN       ARG  21   3.253  -5.294   6.248
  145    HA   ARG  21           HA       ARG  21   4.678  -2.915   7.308
  146   1HB   ARG  21           HB2      ARG  21   4.252  -3.379   4.342
  147   2HB   ARG  21           HB1      ARG  21   5.097  -2.026   5.095
  148   1HG   ARG  21           HG2      ARG  21   6.799  -3.563   5.983
  149   2HG   ARG  21           HG1      ARG  21   5.949  -4.932   5.264
  150   1HD   ARG  21           HD2      ARG  21   6.863  -4.541   3.239
  151   2HD   ARG  21           HD1      ARG  21   6.433  -2.831   3.309
  152    HE   ARG  21           HE       ARG  21   8.979  -4.008   4.296
  153   1HH1  ARG  21          HH11      ARG  21   7.575  -1.554   5.698
  154   2HH1  ARG  21          HH12      ARG  21   8.519  -0.271   5.020
  155   1HH2  ARG  21          HH21      ARG  21   9.923  -2.255   2.547
  156   2HH2  ARG  21          HH22      ARG  21   9.849  -0.667   3.235
  157    HA   PRO  22           HA       PRO  22   0.121  -2.497   7.171
  158   1HB   PRO  22           HB2      PRO  22   0.043  -1.036   9.531
  159   2HB   PRO  22           HB1      PRO  22  -0.064  -2.818   9.437
  160   1HG   PRO  22           HG2      PRO  22   2.262  -1.095  10.215
  161   2HG   PRO  22           HG1      PRO  22   1.842  -2.727  10.764
  162   1HD   PRO  22           HD2      PRO  22   3.825  -2.161   8.887
  163   2HD   PRO  22           HD1      PRO  22   3.012  -3.734   9.048
  164    H    LEU  23           HN       LEU  23   0.103  -0.978   5.378
  165    HA   LEU  23           HA       LEU  23   0.966   1.779   6.098
  166   1HB   LEU  23           HB2      LEU  23  -0.104   0.977   3.413
  167   2HB   LEU  23           HB1      LEU  23   1.081   2.222   3.810
  168    HG   LEU  23           HG       LEU  23   1.746  -0.634   4.427
  169   1HD1  LEU  23          HD13      LEU  23   1.379   0.573   1.751
  170   2HD1  LEU  23          HD12      LEU  23   2.839  -0.382   2.003
  171   3HD1  LEU  23          HD11      LEU  23   1.254  -1.112   2.259
  172   1HD2  LEU  23          HD23      LEU  23   3.127   1.479   4.997
  173   2HD2  LEU  23          HD22      LEU  23   3.965   0.132   4.225
  174   3HD2  LEU  23          HD21      LEU  23   3.484   1.537   3.271
  175    H    CYS  24           HN       CYS  24  -0.614   3.007   6.985
  176    HA   CYS  24           HA       CYS  24  -3.420   2.242   6.645
  177   1HB   CYS  24           HB2      CYS  24  -1.938   4.013   8.401
  178   2HB   CYS  24           HB1      CYS  24  -3.287   4.875   7.676
  179    H    GLY  25           HN       GLY  25  -4.523   2.794   4.827
  180   1HA   GLY  25           HA2      GLY  25  -3.409   4.438   2.832
  181   2HA   GLY  25           HA1      GLY  25  -5.094   4.024   2.904
  182    H    SER  26           HN       SER  26  -5.491   6.268   2.161
  183    HA   SER  26           HA       SER  26  -5.001   8.347   4.215
  184   1HB   SER  26           HB2      SER  26  -6.290   9.761   2.465
  185   2HB   SER  26           HB1      SER  26  -4.685   9.195   2.018
  186    HG   SER  26           HG       SER  26  -7.163   8.538   1.016
  187    H    ASP  27           HN       ASP  27  -7.420   6.098   3.308
  188    HA   ASP  27           HA       ASP  27  -9.600   7.691   4.533
  189   1HB   ASP  27           HB2      ASP  27 -11.083   5.928   3.727
  190   2HB   ASP  27           HB1      ASP  27 -10.022   6.443   2.415
  191    H    ASN  28           HN       ASN  28  -7.187   5.884   5.733
  192    HA   ASN  28           HA       ASN  28  -6.948   5.089   7.957
  193   1HB   ASN  28           HB2      ASN  28  -9.123   6.419   8.405
  194   2HB   ASN  28           HB1      ASN  28  -9.950   4.880   8.167
  195   1HD2  ASN  28          HD22      ASN  28  -9.277   3.876  11.459
  196   2HD2  ASN  28          HD21      ASN  28 -10.305   3.817  10.109
  197    H    LYS  29           HN       LYS  29  -7.308   3.544   5.411
  198    HA   LYS  29           HA       LYS  29  -8.441   0.998   6.471
  199   1HB   LYS  29           HB2      LYS  29  -8.764   2.141   4.020
  200   2HB   LYS  29           HB1      LYS  29  -7.378   1.095   3.704
  201   1HG   LYS  29           HG2      LYS  29  -9.327  -0.324   5.290
  202   2HG   LYS  29           HG1      LYS  29 -10.095   0.330   3.844
  203   1HD   LYS  29           HD2      LYS  29  -8.886  -1.003   2.434
  204   2HD   LYS  29           HD1      LYS  29  -7.435  -0.912   3.432
  205   1HE   LYS  29           HE2      LYS  29  -7.946  -2.828   4.513
  206   2HE   LYS  29           HE1      LYS  29  -9.611  -2.314   4.782
  207   1HZ   LYS  29           HZ1      LYS  29  -9.181  -2.875   2.042
  208   2HZ   LYS  29           HZ3      LYS  29  -8.716  -4.209   2.980
  209   3HZ   LYS  29           HZ2      LYS  29 -10.288  -3.583   3.117
  210    H    THR  30           HN       THR  30  -6.837   0.065   7.718
  211    HA   THR  30           HA       THR  30  -4.028   0.284   7.104
  212    HB   THR  30           HB       THR  30  -5.479  -1.701   8.877
  213    HG1  THR  30           HG1      THR  30  -5.680   0.530   9.432
  214   1HG2  THR  30          HG21      THR  30  -2.752  -1.560   8.001
  215   2HG2  THR  30          HG23      THR  30  -2.816  -1.166   9.719
  216   3HG2  THR  30          HG22      THR  30  -3.480  -2.694   9.139
  217    H    TYR  31           HN       TYR  31  -2.944  -0.773   5.559
  218    HA   TYR  31           HA       TYR  31  -4.115  -3.257   4.397
  219   1HB   TYR  31           HB2      TYR  31  -2.042  -1.286   3.409
  220   2HB   TYR  31           HB1      TYR  31  -2.353  -2.816   2.599
  221    HD1  TYR  31           HD1      TYR  31  -3.955   0.354   3.718
  222    HD2  TYR  31           HD2      TYR  31  -4.254  -3.100   1.185
  223    HE1  TYR  31           HE1      TYR  31  -5.912   1.361   2.574
  224    HE2  TYR  31           HE2      TYR  31  -6.204  -2.091   0.037
  225    HH   TYR  31           HH       TYR  31  -7.069   1.182   0.415
  226    H    GLY  32           HN       GLY  32  -3.208  -5.168   4.958
  227   1HA   GLY  32           HA2      GLY  32  -1.444  -5.616   6.965
  228   2HA   GLY  32           HA1      GLY  32  -1.518  -6.710   5.598
  229    H    ASN  33           HN       ASN  33  -0.284  -5.592   3.556
  230    HA   ASN  33           HA       ASN  33   2.209  -4.366   4.620
  231   1HB   ASN  33           HB2      ASN  33   3.607  -5.806   3.210
  232   2HB   ASN  33           HB1      ASN  33   2.691  -6.739   4.364
  233   1HD2  ASN  33          HD22      ASN  33   2.226  -8.587   1.259
  234   2HD2  ASN  33          HD21      ASN  33   3.407  -8.348   2.449
  235    H    LYS  34           HN       LYS  34   3.622  -4.217   2.311
  236    HA   LYS  34           HA       LYS  34   2.488  -1.928   1.068
  237   1HB   LYS  34           HB2      LYS  34   4.458  -2.376  -0.541
  238   2HB   LYS  34           HB1      LYS  34   4.832  -2.024   1.134
  239   1HG   LYS  34           HG2      LYS  34   5.677  -4.097   1.486
  240   2HG   LYS  34           HG1      LYS  34   4.348  -4.877   0.623
  241   1HD   LYS  34           HD2      LYS  34   6.562  -3.397  -0.813
  242   2HD   LYS  34           HD1      LYS  34   6.668  -5.116  -0.431
  243   1HE   LYS  34           HE2      LYS  34   4.365  -5.326  -1.571
  244   2HE   LYS  34           HE1      LYS  34   4.687  -3.720  -2.225
  245   1HZ   LYS  34           HZ1      LYS  34   6.998  -5.102  -2.654
  246   2HZ   LYS  34           HZ3      LYS  34   5.789  -6.243  -2.986
  247   3HZ   LYS  34           HZ2      LYS  34   5.807  -4.761  -3.817
  248    H    CYS  35           HN       CYS  35   2.435  -5.348   0.106
  249    HA   CYS  35           HA       CYS  35   1.591  -4.740  -2.594
  250   1HB   CYS  35           HB2      CYS  35   2.575  -6.903  -2.222
  251   2HB   CYS  35           HB1      CYS  35   1.432  -7.267  -0.931
  252    H    ASN  36           HN       ASN  36   0.019  -5.073   0.492
  253    HA   ASN  36           HA       ASN  36  -2.667  -5.331  -0.637
  254   1HB   ASN  36           HB2      ASN  36  -1.502  -5.020   2.104
  255   2HB   ASN  36           HB1      ASN  36  -3.191  -4.572   1.869
  256   1HD2  ASN  36          HD22      ASN  36  -2.095  -8.515   1.576
  257   2HD2  ASN  36          HD21      ASN  36  -0.907  -7.307   1.575
  258    H    PHE  37           HN       PHE  37  -0.754  -2.729   0.891
  259    HA   PHE  37           HA       PHE  37  -2.748  -0.683   0.615
  260   1HB   PHE  37           HB2      PHE  37  -0.623  -0.462   1.941
  261   2HB   PHE  37           HB1      PHE  37   0.250  -0.290   0.541
  262    HD1  PHE  37           HD1      PHE  37  -3.020   1.119   1.610
  263    HD2  PHE  37           HD2      PHE  37   0.874   1.744  -0.016
  264    HE1  PHE  37           HE1      PHE  37  -3.590   3.505   1.204
  265    HE2  PHE  37           HE2      PHE  37   0.333   4.128  -0.440
  266    HZ   PHE  37           HZ       PHE  37  -1.911   5.024   0.175
  267    H    CYS  38           HN       CYS  38  -0.208  -1.870  -1.356
  268    HA   CYS  38           HA       CYS  38  -0.383   0.134  -3.419
  269   1HB   CYS  38           HB2      CYS  38   0.915  -2.551  -3.182
  270   2HB   CYS  38           HB1      CYS  38   0.693  -1.883  -4.792
  271    H    ASN  39           HN       ASN  39  -1.773  -3.154  -3.150
  272    HA   ASN  39           HA       ASN  39  -3.011  -3.281  -5.672
  273   1HB   ASN  39           HB2      ASN  39  -3.878  -4.310  -2.960
  274   2HB   ASN  39           HB1      ASN  39  -4.816  -4.630  -4.418
  275   1HD2  ASN  39          HD22      ASN  39  -2.061  -7.238  -3.751
  276   2HD2  ASN  39          HD21      ASN  39  -3.102  -6.473  -2.652
  277    H    ALA  40           HN       ALA  40  -4.127  -1.701  -2.687
  278    HA   ALA  40           HA       ALA  40  -6.657  -0.824  -3.702
  279   1HB   ALA  40           HB2      ALA  40  -4.856   0.365  -1.568
  280   2HB   ALA  40           HB1      ALA  40  -6.518   0.875  -1.863
  281   3HB   ALA  40           HB3      ALA  40  -6.185  -0.766  -1.311
  282    H    VAL  41           HN       VAL  41  -3.397   0.519  -3.874
  283    HA   VAL  41           HA       VAL  41  -4.135   3.095  -4.924
  284    HB   VAL  41           HB       VAL  41  -1.588   1.481  -5.258
  285   1HG1  VAL  41          HG13      VAL  41  -2.416   3.847  -6.573
  286   2HG1  VAL  41          HG12      VAL  41  -1.249   4.343  -5.347
  287   3HG1  VAL  41          HG11      VAL  41  -0.801   3.140  -6.556
  288   1HG2  VAL  41          HG23      VAL  41  -2.383   2.127  -2.905
  289   2HG2  VAL  41          HG22      VAL  41  -0.766   2.664  -3.361
  290   3HG2  VAL  41          HG21      VAL  41  -2.112   3.801  -3.390
  291    H    VAL  42           HN       VAL  42  -3.045   0.104  -6.542
  292    HA   VAL  42           HA       VAL  42  -3.434   1.200  -9.185
  293    HB   VAL  42           HB       VAL  42  -1.689  -0.444  -8.686
  294   1HG1  VAL  42          HG12      VAL  42  -4.027  -1.950  -7.651
  295   2HG1  VAL  42          HG11      VAL  42  -2.809  -2.895  -8.506
  296   3HG1  VAL  42          HG13      VAL  42  -2.354  -1.942  -7.094
  297   1HG2  VAL  42          HG21      VAL  42  -3.446  -0.459 -10.840
  298   2HG2  VAL  42          HG23      VAL  42  -1.868  -1.241 -10.777
  299   3HG2  VAL  42          HG22      VAL  42  -3.322  -2.157 -10.376
  300    H    GLU  43           HN       GLU  43  -5.608  -0.221  -6.929
  301    HA   GLU  43           HA       GLU  43  -7.365  -1.270  -9.041
  302   1HB   GLU  43           HB2      GLU  43  -8.832  -1.781  -7.054
  303   2HB   GLU  43           HB1      GLU  43  -7.342  -2.660  -7.065
  304   1HG   GLU  43           HG2      GLU  43  -7.241  -1.927  -4.945
  305   2HG   GLU  43           HG1      GLU  43  -6.681  -0.429  -5.673
  306    H    SER  44           HN       SER  44  -6.786   1.579  -7.253
  307    HA   SER  44           HA       SER  44  -9.510   2.622  -7.904
  308   1HB   SER  44           HB2      SER  44  -9.172   2.946  -5.597
  309   2HB   SER  44           HB1      SER  44  -7.465   3.320  -5.804
  310    HG   SER  44           HG       SER  44  -9.539   4.982  -5.730
  311    H    ASN  45           HN       ASN  45  -7.747   2.415 -10.021
  312    HA   ASN  45           HA       ASN  45  -6.554   3.629 -11.630
  313   1HB   ASN  45           HB2      ASN  45  -7.522   6.000 -11.953
  314   2HB   ASN  45           HB1      ASN  45  -8.610   4.649 -12.199
  315   1HD2  ASN  45          HD22      ASN  45  -9.458   7.350  -9.346
  316   2HD2  ASN  45          HD21      ASN  45  -8.203   7.569 -10.468
  317    H    GLY  46           HN       GLY  46  -5.116   3.448  -9.330
  318   1HA   GLY  46           HA2      GLY  46  -3.537   4.517  -7.964
  319   2HA   GLY  46           HA1      GLY  46  -3.046   5.228  -9.491
  320    H    THR  47           HN       THR  47  -5.959   5.704  -7.522
  321    HA   THR  47           HA       THR  47  -5.257   8.608  -7.402
  322    HB   THR  47           HB       THR  47  -7.349   7.878  -8.735
  323    HG1  THR  47           HG1      THR  47  -8.564   9.617  -7.476
  324   1HG2  THR  47          HG23      THR  47  -7.945   6.711  -6.183
  325   2HG2  THR  47          HG22      THR  47  -9.130   7.970  -6.518
  326   3HG2  THR  47          HG21      THR  47  -8.897   6.651  -7.665
  327    H    LEU  48           HN       LEU  48  -5.545   5.802  -5.604
  328    HA   LEU  48           HA       LEU  48  -6.648   6.922  -3.173
  329   1HB   LEU  48           HB2      LEU  48  -6.966   4.618  -3.308
  330   2HB   LEU  48           HB1      LEU  48  -5.392   4.338  -4.044
  331    HG   LEU  48           HG       LEU  48  -4.498   5.170  -1.683
  332   1HD1  LEU  48          HD12      LEU  48  -7.383   4.533  -1.273
  333   2HD1  LEU  48          HD11      LEU  48  -6.228   4.087  -0.016
  334   3HD1  LEU  48          HD13      LEU  48  -6.387   5.773  -0.510
  335   1HD2  LEU  48          HD23      LEU  48  -5.455   2.531  -2.656
  336   2HD2  LEU  48          HD22      LEU  48  -3.844   3.022  -2.130
  337   3HD2  LEU  48          HD21      LEU  48  -5.084   2.644  -0.935
  338    H    THR  49           HN       THR  49  -5.537   7.970  -1.614
  339    HA   THR  49           HA       THR  49  -2.554   8.023  -1.806
  340    HB   THR  49           HB       THR  49  -2.561  10.252  -1.140
  341    HG1  THR  49           HG1      THR  49  -3.643  10.714   0.577
  342   1HG2  THR  49          HG22      THR  49  -3.892   9.997  -3.262
  343   2HG2  THR  49          HG21      THR  49  -5.358  10.060  -2.283
  344   3HG2  THR  49          HG23      THR  49  -4.277  11.452  -2.343
  345    H    LEU  50           HN       LEU  50  -1.556   8.273   0.507
  346    HA   LEU  50           HA       LEU  50  -3.216   6.591   2.289
  347   1HB   LEU  50           HB2      LEU  50  -1.456   5.210   2.495
  348   2HB   LEU  50           HB1      LEU  50  -0.745   6.082   1.152
  349    HG   LEU  50           HG       LEU  50  -0.273   7.383   3.753
  350   1HD1  LEU  50          HD13      LEU  50   0.594   4.568   3.167
  351   2HD1  LEU  50          HD12      LEU  50   1.491   5.619   4.264
  352   3HD1  LEU  50          HD11      LEU  50  -0.183   5.189   4.623
  353   1HD2  LEU  50          HD21      LEU  50   0.787   7.737   1.384
  354   2HD2  LEU  50          HD23      LEU  50   1.839   7.770   2.799
  355   3HD2  LEU  50          HD22      LEU  50   1.752   6.320   1.798
  356    H    SER  51           HN       SER  51  -2.451   6.771   4.623
  357    HA   SER  51           HA       SER  51  -2.486   9.624   5.399
  358   1HB   SER  51           HB2      SER  51  -4.206   8.086   6.165
  359   2HB   SER  51           HB1      SER  51  -3.148   7.132   7.066
  360    HG   SER  51           HG       SER  51  -4.223   8.805   8.280
  361    H    HIS  52           HN       HIS  52  -0.628   6.778   5.484
  362    HA   HIS  52           HA       HIS  52   1.857   7.839   5.941
  363   1HB   HIS  52           HB2      HIS  52   2.204   7.515   8.444
  364   2HB   HIS  52           HB1      HIS  52   1.258   8.925   7.981
  365    HD1  HIS  52           HD1      HIS  52   1.033   5.637   9.702
  366    HD2  HIS  52           HD2      HIS  52  -1.572   8.678   8.526
  367    HE1  HIS  52           HE1      HIS  52  -1.155   5.190  10.886
  368    H    PHE  53           HN       PHE  53   3.493   6.262   6.646
  369    HA   PHE  53           HA       PHE  53   2.658   3.527   6.009
  370   1HB   PHE  53           HB2      PHE  53   5.330   4.781   6.670
  371   2HB   PHE  53           HB1      PHE  53   5.124   3.056   6.373
  372    HD1  PHE  53           HD2      PHE  53   3.987   6.283   4.823
  373    HD2  PHE  53           HD1      PHE  53   5.583   2.343   4.205
  374    HE1  PHE  53           HE2      PHE  53   4.065   6.698   2.383
  375    HE2  PHE  53           HE1      PHE  53   5.661   2.759   1.761
  376    HZ   PHE  53           HZ       PHE  53   4.902   4.938   0.849
  377    H    GLY  54           HN       GLY  54   1.786   2.328   7.595
  378   1HA   GLY  54           HA2      GLY  54   2.713   1.122   9.717
  379   2HA   GLY  54           HA1      GLY  54   2.600   2.709  10.385
  380    H    LYS  55           HN       LYS  55   1.071   1.240  11.751
  381    HA   LYS  55           HA       LYS  55  -1.608   0.939  10.606
  382   1HB   LYS  55           HB2      LYS  55  -1.772   0.796  13.444
  383   2HB   LYS  55           HB1      LYS  55  -1.841  -0.532  12.294
  384   1HG   LYS  55           HG2      LYS  55   0.652  -0.646  12.330
  385   2HG   LYS  55           HG1      LYS  55   0.658   0.604  13.576
  386   1HD   LYS  55           HD2      LYS  55  -1.063  -1.803  14.014
  387   2HD   LYS  55           HD1      LYS  55   0.680  -1.980  14.222
  388   1HE   LYS  55           HE2      LYS  55   0.647  -0.850  16.174
  389   2HE   LYS  55           HE1      LYS  55  -0.303   0.460  15.472
  390   1HZ   LYS  55           HZ2      LYS  55  -2.071  -1.591  15.637
  391   2HZ   LYS  55           HZ1      LYS  55  -1.159  -1.771  17.058
  392   3HZ   LYS  55           HZ3      LYS  55  -1.948  -0.305  16.739
  393    H    CYS  56           HN       CYS  56  -3.428   2.229  11.226
  394    HA   CYS  56           HA       CYS  56  -2.934   5.013  11.463
  395   1HB   CYS  56           HB2      CYS  56  -5.385   3.316  11.904
  396   2HB   CYS  56           HB1      CYS  56  -5.423   5.057  12.188
   
  No H/Q in entry =         396
  Start of MODEL          48
 Raw file had  401 H/Q atoms
  Start of MODEL   48
    1   1H    LEU   1           HT1      LEU   1  15.837   5.642   0.436
    2   2H    LEU   1           HT3      LEU   1  15.819   3.946   0.370
    3   3H    LEU   1           HT2      LEU   1  15.800   4.851  -1.068
    4    HA   LEU   1           HA       LEU   1  13.606   5.034  -1.045
    5   1HB   LEU   1           HB2      LEU   1  14.271   2.741   0.347
    6   2HB   LEU   1           HB1      LEU   1  13.131   3.535   1.434
    7    HG   LEU   1           HG       LEU   1  11.712   3.884  -0.742
    8   1HD1  LEU   1          HD11      LEU   1  13.832   2.797  -1.978
    9   2HD1  LEU   1          HD13      LEU   1  12.953   1.313  -1.607
   10   3HD1  LEU   1          HD12      LEU   1  12.187   2.573  -2.575
   11   1HD2  LEU   1          HD21      LEU   1  11.482   2.219   1.329
   12   2HD2  LEU   1          HD23      LEU   1  10.429   2.071  -0.078
   13   3HD2  LEU   1          HD22      LEU   1  11.829   1.012   0.092
   14    H    ALA   2           HN       ALA   2  12.359   6.746  -0.485
   15    HA   ALA   2           HA       ALA   2  11.913   7.470   2.308
   16   1HB   ALA   2           HB1      ALA   2  14.140   8.613   1.078
   17   2HB   ALA   2           HB3      ALA   2  12.889   9.846   0.920
   18   3HB   ALA   2           HB2      ALA   2  13.321   9.228   2.515
   19    H    ALA   3           HN       ALA   3  10.890  10.009   1.980
   20    HA   ALA   3           HA       ALA   3   9.118  11.238   1.017
   21   1HB   ALA   3           HB3      ALA   3  10.279  10.139  -1.170
   22   2HB   ALA   3           HB2      ALA   3   8.714   9.330  -1.222
   23   3HB   ALA   3           HB1      ALA   3   8.796  11.090  -1.244
   24    H    VAL   4           HN       VAL   4   6.785  11.029   0.951
   25    HA   VAL   4           HA       VAL   4   5.855   8.553   2.291
   26    HB   VAL   4           HB       VAL   4   4.253  11.060   1.730
   27   1HG1  VAL   4          HG12      VAL   4   3.932   8.579   3.350
   28   2HG1  VAL   4          HG11      VAL   4   3.336  10.080   4.058
   29   3HG1  VAL   4          HG13      VAL   4   2.715   9.531   2.501
   30   1HG2  VAL   4          HG22      VAL   4   6.547  11.217   3.084
   31   2HG2  VAL   4          HG21      VAL   4   5.110  12.084   3.624
   32   3HG2  VAL   4          HG23      VAL   4   5.551  10.553   4.380
   33    H    SER   5           HN       SER   5   6.224   7.485   0.068
   34    HA   SER   5           HA       SER   5   3.622   7.296  -1.268
   35   1HB   SER   5           HB2      SER   5   4.742   9.222  -2.418
   36   2HB   SER   5           HB1      SER   5   6.058   8.141  -2.867
   37    HG   SER   5           HG       SER   5   3.335   7.625  -3.465
   38    H    VAL   6           HN       VAL   6   3.409   5.106  -1.323
   39    HA   VAL   6           HA       VAL   6   5.788   3.388  -1.479
   40    HB   VAL   6           HB       VAL   6   2.924   2.445  -1.603
   41   1HG1  VAL   6          HG12      VAL   6   5.119   0.997  -1.832
   42   2HG1  VAL   6          HG11      VAL   6   5.180   1.182  -0.079
   43   3HG1  VAL   6          HG13      VAL   6   3.782   0.419  -0.838
   44   1HG2  VAL   6          HG21      VAL   6   4.072   4.061   0.448
   45   2HG2  VAL   6          HG23      VAL   6   2.513   3.237   0.465
   46   3HG2  VAL   6          HG22      VAL   6   3.950   2.417   1.075
   47    H    ASP   7           HN       ASP   7   6.133   1.845  -3.184
   48    HA   ASP   7           HA       ASP   7   5.585   2.852  -5.828
   49   1HB   ASP   7           HB2      ASP   7   7.528   1.321  -4.998
   50   2HB   ASP   7           HB1      ASP   7   6.386   0.002  -5.258
   51    H    CYS   8           HN       CYS   8   3.977   2.231  -7.289
   52    HA   CYS   8           HA       CYS   8   2.278  -0.080  -6.646
   53   1HB   CYS   8           HB2      CYS   8   1.433   2.014  -5.389
   54   2HB   CYS   8           HB1      CYS   8   0.967   2.613  -6.976
   55    H    SER   9           HN       SER   9   4.009   1.275  -8.895
   56    HA   SER   9           HA       SER   9   2.002   1.374 -11.062
   57   1HB   SER   9           HB2      SER   9   3.861   3.035 -10.983
   58   2HB   SER   9           HB1      SER   9   5.012   1.719 -11.189
   59    HG   SER   9           HG       SER   9   4.664   2.173 -13.231
   60    H    GLU  10           HN       GLU  10   2.980  -1.174  -9.546
   61    HA   GLU  10           HA       GLU  10   3.484  -2.727 -12.050
   62   1HB   GLU  10           HB2      GLU  10   5.098  -4.124 -10.899
   63   2HB   GLU  10           HB1      GLU  10   5.584  -2.439 -10.714
   64   1HG   GLU  10           HG2      GLU  10   3.758  -3.302  -8.602
   65   2HG   GLU  10           HG1      GLU  10   5.238  -4.259  -8.642
   66    H    TYR  11           HN       TYR  11   1.456  -2.258  -9.469
   67    HA   TYR  11           HA       TYR  11   0.757  -5.076  -9.102
   68   1HB   TYR  11           HB2      TYR  11  -0.067  -2.472  -7.839
   69   2HB   TYR  11           HB1      TYR  11  -0.899  -3.967  -7.455
   70    HD1  TYR  11           HD2      TYR  11   2.275  -2.117  -7.185
   71    HD2  TYR  11           HD1      TYR  11   0.252  -5.798  -6.267
   72    HE1  TYR  11           HE2      TYR  11   4.103  -2.736  -5.631
   73    HE2  TYR  11           HE1      TYR  11   2.082  -6.409  -4.704
   74    HH   TYR  11           HH       TYR  11   4.259  -5.912  -4.146
   75    HA   PRO  12           HA       PRO  12  -1.508  -5.539  -8.003
   76   1HB   PRO  12           HB2      PRO  12  -2.851  -7.769  -8.888
   77   2HB   PRO  12           HB1      PRO  12  -3.660  -6.291  -8.333
   78   1HG   PRO  12           HG2      PRO  12  -3.217  -7.254 -11.141
   79   2HG   PRO  12           HG1      PRO  12  -4.570  -6.321 -10.475
   80   1HD   PRO  12           HD2      PRO  12  -2.472  -5.207 -11.931
   81   2HD   PRO  12           HD1      PRO  12  -3.519  -4.328 -10.874
   82    H    LYS  13           HN       LYS  13  -0.358  -7.379  -7.270
   83    HA   LYS  13           HA       LYS  13   1.465  -8.604  -9.299
   84   1HB   LYS  13           HB2      LYS  13   2.014  -7.214  -6.884
   85   2HB   LYS  13           HB1      LYS  13   2.408  -8.909  -6.607
   86   1HG   LYS  13           HG2      LYS  13   3.456  -8.552  -9.099
   87   2HG   LYS  13           HG1      LYS  13   3.689  -6.945  -8.413
   88   1HD   LYS  13           HD2      LYS  13   4.760  -8.021  -6.412
   89   2HD   LYS  13           HD1      LYS  13   4.657  -9.570  -7.250
   90   1HE   LYS  13           HE2      LYS  13   6.604  -9.090  -8.272
   91   2HE   LYS  13           HE1      LYS  13   5.790  -7.763  -9.102
   92   1HZ   LYS  13           HZ2      LYS  13   6.198  -6.603  -6.792
   93   2HZ   LYS  13           HZ1      LYS  13   7.484  -7.710  -6.721
   94   3HZ   LYS  13           HZ3      LYS  13   7.386  -6.607  -8.005
   95    HA   PRO  14           HA       PRO  14  -0.374 -12.444  -8.162
   96   1HB   PRO  14           HB2      PRO  14   1.576 -14.105  -9.157
   97   2HB   PRO  14           HB1      PRO  14   0.402 -13.246 -10.171
   98   1HG   PRO  14           HG2      PRO  14   3.292 -12.653  -9.727
   99   2HG   PRO  14           HG1      PRO  14   2.280 -12.304 -11.137
  100   1HD   PRO  14           HD2      PRO  14   3.056 -10.440  -9.195
  101   2HD   PRO  14           HD1      PRO  14   1.749 -10.220 -10.337
  102    H    ALA  15           HN       ALA  15   1.892 -11.090  -6.378
  103    HA   ALA  15           HA       ALA  15   1.936 -13.257  -4.423
  104   1HB   ALA  15           HB2      ALA  15   4.442 -12.429  -5.893
  105   2HB   ALA  15           HB1      ALA  15   4.503 -13.155  -4.288
  106   3HB   ALA  15           HB3      ALA  15   3.816 -14.057  -5.638
  107    H    CYS  16           HN       CYS  16   1.447 -12.115  -2.606
  108    HA   CYS  16           HA       CYS  16   2.345  -9.311  -2.376
  109   1HB   CYS  16           HB2      CYS  16   0.565 -10.992  -0.580
  110   2HB   CYS  16           HB1      CYS  16   0.920  -9.289  -0.326
  111    H    THR  17           HN       THR  17   3.974  -8.652  -1.009
  112    HA   THR  17           HA       THR  17   5.961 -10.364  -0.077
  113    HB   THR  17           HB       THR  17   6.454  -8.532   1.642
  114    HG1  THR  17           HG1      THR  17   5.184  -6.658   1.381
  115   1HG2  THR  17          HG23      THR  17   7.160  -8.659  -0.873
  116   2HG2  THR  17          HG22      THR  17   5.996  -7.348  -1.083
  117   3HG2  THR  17          HG21      THR  17   7.373  -7.141   0.001
  118    H    LEU  18           HN       LEU  18   6.466 -10.748   2.374
  119    HA   LEU  18           HA       LEU  18   3.941 -11.734   3.629
  120   1HB   LEU  18           HB2      LEU  18   6.784 -12.762   3.770
  121   2HB   LEU  18           HB1      LEU  18   5.517 -13.314   4.866
  122    HG   LEU  18           HG       LEU  18   5.101 -13.358   1.882
  123   1HD1  LEU  18          HD13      LEU  18   7.209 -14.677   2.956
  124   2HD1  LEU  18          HD12      LEU  18   5.934 -15.859   3.250
  125   3HD1  LEU  18          HD11      LEU  18   6.267 -15.310   1.607
  126   1HD2  LEU  18          HD22      LEU  18   3.603 -14.068   4.222
  127   2HD2  LEU  18          HD21      LEU  18   3.114 -14.198   2.532
  128   3HD2  LEU  18          HD23      LEU  18   3.949 -15.541   3.316
  129    H    GLU  19           HN       GLU  19   7.018 -10.076   4.268
  130    HA   GLU  19           HA       GLU  19   6.966  -9.780   7.022
  131   1HB   GLU  19           HB2      GLU  19   7.773  -7.349   6.526
  132   2HB   GLU  19           HB1      GLU  19   8.752  -8.697   5.948
  133   1HG   GLU  19           HG2      GLU  19   6.733  -8.103   3.990
  134   2HG   GLU  19           HG1      GLU  19   7.592  -6.618   4.404
  135    H    TYR  20           HN       TYR  20   5.959  -8.210   8.459
  136    HA   TYR  20           HA       TYR  20   3.273  -7.420   7.468
  137   1HB   TYR  20           HB2      TYR  20   3.410  -8.796   9.533
  138   2HB   TYR  20           HB1      TYR  20   4.330  -7.506  10.308
  139    HD1  TYR  20           HD2      TYR  20   1.309  -7.497   8.073
  140    HD2  TYR  20           HD1      TYR  20   2.995  -6.414  11.874
  141    HE1  TYR  20           HE2      TYR  20  -0.804  -6.341   8.678
  142    HE2  TYR  20           HE1      TYR  20   0.885  -5.263  12.481
  143    HH   TYR  20           HH       TYR  20  -1.179  -4.162  10.727
  144    H    ARG  21           HN       ARG  21   3.693  -5.482   6.411
  145    HA   ARG  21           HA       ARG  21   4.604  -3.237   8.168
  146   1HB   ARG  21           HB2      ARG  21   5.312  -2.144   5.944
  147   2HB   ARG  21           HB1      ARG  21   6.336  -3.448   6.544
  148   1HG   ARG  21           HG2      ARG  21   4.911  -5.019   5.097
  149   2HG   ARG  21           HG1      ARG  21   4.285  -3.561   4.328
  150   1HD   ARG  21           HD2      ARG  21   7.067  -4.683   4.275
  151   2HD   ARG  21           HD1      ARG  21   6.097  -4.050   2.946
  152    HE   ARG  21           HE       ARG  21   6.467  -1.768   4.198
  153   1HH1  ARG  21          HH21      ARG  21   8.432  -3.415   5.996
  154   2HH1  ARG  21          HH22      ARG  21   9.943  -2.903   5.320
  155   1HH2  ARG  21          HH11      ARG  21   8.511  -1.530   2.477
  156   2HH2  ARG  21          HH12      ARG  21   9.988  -1.838   3.327
  157    HA   PRO  22           HA       PRO  22   0.265  -2.593   7.005
  158   1HB   PRO  22           HB2      PRO  22  -0.273  -1.018   9.209
  159   2HB   PRO  22           HB1      PRO  22  -0.376  -2.792   9.193
  160   1HG   PRO  22           HG2      PRO  22   1.767  -1.035  10.330
  161   2HG   PRO  22           HG1      PRO  22   1.210  -2.627  10.880
  162   1HD   PRO  22           HD2      PRO  22   3.545  -2.198   9.417
  163   2HD   PRO  22           HD1      PRO  22   2.680  -3.750   9.499
  164    H    LEU  23           HN       LEU  23   0.132  -1.144   5.303
  165    HA   LEU  23           HA       LEU  23   1.240   1.585   5.764
  166   1HB   LEU  23           HB2      LEU  23   0.230   0.403   3.168
  167   2HB   LEU  23           HB1      LEU  23   1.278   1.808   3.380
  168    HG   LEU  23           HG       LEU  23   2.303  -0.649   4.641
  169   1HD1  LEU  23          HD13      LEU  23   1.115  -1.096   2.233
  170   2HD1  LEU  23          HD12      LEU  23   2.737  -0.631   1.723
  171   3HD1  LEU  23          HD11      LEU  23   2.512  -1.993   2.822
  172   1HD2  LEU  23          HD22      LEU  23   3.535   1.514   4.371
  173   2HD2  LEU  23          HD21      LEU  23   4.378   0.136   3.662
  174   3HD2  LEU  23          HD23      LEU  23   3.505   1.263   2.625
  175    H    CYS  24           HN       CYS  24  -0.200   3.141   6.308
  176    HA   CYS  24           HA       CYS  24  -3.077   2.611   6.168
  177   1HB   CYS  24           HB2      CYS  24  -2.494   3.873   8.080
  178   2HB   CYS  24           HB1      CYS  24  -1.373   4.868   7.183
  179    H    GLY  25           HN       GLY  25  -4.464   3.360   4.608
  180   1HA   GLY  25           HA2      GLY  25  -3.451   4.420   2.157
  181   2HA   GLY  25           HA1      GLY  25  -5.087   4.368   2.590
  182    H    SER  26           HN       SER  26  -4.923   6.683   1.478
  183    HA   SER  26           HA       SER  26  -3.887   8.658   3.439
  184   1HB   SER  26           HB2      SER  26  -3.601   8.797   0.856
  185   2HB   SER  26           HB1      SER  26  -5.274   9.345   0.850
  186    HG   SER  26           HG       SER  26  -3.866  11.108   1.023
  187    H    ASP  27           HN       ASP  27  -6.589   6.904   3.318
  188    HA   ASP  27           HA       ASP  27  -8.277   9.199   4.219
  189   1HB   ASP  27           HB2      ASP  27 -10.242   7.705   3.527
  190   2HB   ASP  27           HB1      ASP  27  -9.304   8.435   2.227
  191    H    ASN  28           HN       ASN  28  -7.030   6.044   4.931
  192    HA   ASN  28           HA       ASN  28  -6.907   5.698   7.477
  193   1HB   ASN  28           HB2      ASN  28  -8.897   7.009   8.012
  194   2HB   ASN  28           HB1      ASN  28  -9.914   5.879   7.116
  195   1HD2  ASN  28          HD22      ASN  28 -10.427   4.205  10.188
  196   2HD2  ASN  28          HD21      ASN  28 -11.132   5.056   8.901
  197    H    LYS  29           HN       LYS  29  -7.219   4.195   4.744
  198    HA   LYS  29           HA       LYS  29  -8.368   1.668   5.827
  199   1HB   LYS  29           HB2      LYS  29  -7.352   1.742   3.033
  200   2HB   LYS  29           HB1      LYS  29  -8.827   1.033   3.681
  201   1HG   LYS  29           HG2      LYS  29  -9.628   3.451   4.046
  202   2HG   LYS  29           HG1      LYS  29  -8.307   3.915   2.973
  203   1HD   LYS  29           HD2      LYS  29 -10.396   1.847   2.244
  204   2HD   LYS  29           HD1      LYS  29 -10.525   3.552   1.809
  205   1HE   LYS  29           HE2      LYS  29  -8.317   3.381   0.653
  206   2HE   LYS  29           HE1      LYS  29  -8.302   1.653   1.004
  207   1HZ   LYS  29           HZ2      LYS  29 -10.400   3.072  -0.548
  208   2HZ   LYS  29           HZ1      LYS  29  -9.158   2.126  -1.216
  209   3HZ   LYS  29           HZ3      LYS  29 -10.343   1.402  -0.241
  210    H    THR  30           HN       THR  30  -6.780   0.721   7.068
  211    HA   THR  30           HA       THR  30  -3.967   0.782   6.327
  212    HB   THR  30           HB       THR  30  -5.565  -0.675   8.437
  213    HG1  THR  30           HG1      THR  30  -5.120   1.348   9.038
  214   1HG2  THR  30          HG22      THR  30  -2.667  -1.056   7.665
  215   2HG2  THR  30          HG21      THR  30  -3.241  -1.382   9.300
  216   3HG2  THR  30          HG23      THR  30  -3.895  -2.291   7.938
  217    H    TYR  31           HN       TYR  31  -2.715  -0.977   5.589
  218    HA   TYR  31           HA       TYR  31  -4.220  -3.336   4.546
  219   1HB   TYR  31           HB2      TYR  31  -2.253  -1.555   3.117
  220   2HB   TYR  31           HB1      TYR  31  -2.497  -3.228   2.610
  221    HD1  TYR  31           HD1      TYR  31  -4.158   0.048   3.099
  222    HD2  TYR  31           HD2      TYR  31  -4.540  -3.929   1.530
  223    HE1  TYR  31           HE1      TYR  31  -6.242   0.709   1.930
  224    HE2  TYR  31           HE2      TYR  31  -6.622  -3.269   0.358
  225    HH   TYR  31           HH       TYR  31  -8.444  -1.405   0.762
  226    H    GLY  32           HN       GLY  32  -3.149  -5.303   4.878
  227   1HA   GLY  32           HA2      GLY  32  -1.398  -5.555   6.989
  228   2HA   GLY  32           HA1      GLY  32  -1.472  -6.751   5.712
  229    H    ASN  33           HN       ASN  33  -0.361  -5.574   3.558
  230    HA   ASN  33           HA       ASN  33   2.128  -4.266   4.478
  231   1HB   ASN  33           HB2      ASN  33   3.586  -5.785   3.291
  232   2HB   ASN  33           HB1      ASN  33   2.605  -6.696   4.412
  233   1HD2  ASN  33          HD22      ASN  33   2.333  -8.673   1.380
  234   2HD2  ASN  33          HD21      ASN  33   3.401  -8.405   2.672
  235    H    LYS  34           HN       LYS  34   3.468  -4.458   2.024
  236    HA   LYS  34           HA       LYS  34   2.297  -2.261   0.675
  237   1HB   LYS  34           HB2      LYS  34   4.255  -2.254  -0.546
  238   2HB   LYS  34           HB1      LYS  34   4.768  -3.142   0.870
  239   1HG   LYS  34           HG2      LYS  34   4.402  -5.271  -0.299
  240   2HG   LYS  34           HG1      LYS  34   3.834  -4.398  -1.727
  241   1HD   LYS  34           HD2      LYS  34   6.541  -3.782  -0.568
  242   2HD   LYS  34           HD1      LYS  34   6.329  -5.170  -1.637
  243   1HE   LYS  34           HE2      LYS  34   6.737  -3.605  -3.261
  244   2HE   LYS  34           HE1      LYS  34   5.011  -3.300  -3.074
  245   1HZ   LYS  34           HZ1      LYS  34   6.019  -1.778  -1.130
  246   2HZ   LYS  34           HZ3      LYS  34   7.276  -1.684  -2.265
  247   3HZ   LYS  34           HZ2      LYS  34   5.703  -1.213  -2.702
  248    H    CYS  35           HN       CYS  35   2.619  -5.674  -0.460
  249    HA   CYS  35           HA       CYS  35   1.361  -5.292  -2.942
  250   1HB   CYS  35           HB2      CYS  35   2.370  -7.421  -2.382
  251   2HB   CYS  35           HB1      CYS  35   1.221  -7.662  -1.069
  252    H    ASN  36           HN       ASN  36  -0.078  -5.648   0.261
  253    HA   ASN  36           HA       ASN  36  -2.797  -5.801  -0.762
  254   1HB   ASN  36           HB2      ASN  36  -1.526  -5.605   1.940
  255   2HB   ASN  36           HB1      ASN  36  -3.240  -5.225   1.779
  256   1HD2  ASN  36          HD22      ASN  36  -1.972  -9.076   1.440
  257   2HD2  ASN  36          HD21      ASN  36  -0.869  -7.802   1.615
  258    H    PHE  37           HN       PHE  37  -0.721  -3.224   0.531
  259    HA   PHE  37           HA       PHE  37  -2.814  -1.255   0.708
  260   1HB   PHE  37           HB2      PHE  37  -0.677  -0.974   1.856
  261   2HB   PHE  37           HB1      PHE  37   0.161  -0.814   0.447
  262    HD1  PHE  37           HD1      PHE  37  -3.144   0.540   1.279
  263    HD2  PHE  37           HD2      PHE  37   0.917   1.331   0.258
  264    HE1  PHE  37           HE1      PHE  37  -3.705   2.945   1.007
  265    HE2  PHE  37           HE2      PHE  37   0.396   3.733  -0.023
  266    HZ   PHE  37           HZ       PHE  37  -1.911   4.557   0.361
  267    H    CYS  38           HN       CYS  38  -0.259  -1.703  -1.609
  268    HA   CYS  38           HA       CYS  38  -1.065   0.340  -3.396
  269   1HB   CYS  38           HB2      CYS  38   1.132  -0.417  -3.720
  270   2HB   CYS  38           HB1      CYS  38   0.660  -2.114  -3.691
  271    H    ASN  39           HN       ASN  39  -1.628  -3.229  -3.635
  272    HA   ASN  39           HA       ASN  39  -3.103  -3.339  -5.964
  273   1HB   ASN  39           HB2      ASN  39  -3.697  -4.694  -3.314
  274   2HB   ASN  39           HB1      ASN  39  -4.569  -5.079  -4.800
  275   1HD2  ASN  39          HD22      ASN  39  -1.911  -7.531  -4.952
  276   2HD2  ASN  39          HD21      ASN  39  -3.457  -7.296  -4.296
  277    H    ALA  40           HN       ALA  40  -4.036  -1.854  -2.946
  278    HA   ALA  40           HA       ALA  40  -6.807  -1.398  -3.723
  279   1HB   ALA  40           HB3      ALA  40  -5.969  -1.451  -1.331
  280   2HB   ALA  40           HB2      ALA  40  -5.150   0.078  -1.650
  281   3HB   ALA  40           HB1      ALA  40  -6.909  -0.013  -1.729
  282    H    VAL  41           HN       VAL  41  -3.861   0.576  -3.488
  283    HA   VAL  41           HA       VAL  41  -4.857   2.991  -4.571
  284    HB   VAL  41           HB       VAL  41  -2.104   1.747  -4.810
  285   1HG1  VAL  41          HG13      VAL  41  -2.696   3.636  -6.440
  286   2HG1  VAL  41          HG12      VAL  41  -2.804   4.679  -5.022
  287   3HG1  VAL  41          HG11      VAL  41  -1.278   3.892  -5.423
  288   1HG2  VAL  41          HG23      VAL  41  -3.107   2.173  -2.493
  289   2HG2  VAL  41          HG22      VAL  41  -1.556   2.943  -2.824
  290   3HG2  VAL  41          HG21      VAL  41  -3.043   3.889  -2.894
  291    H    VAL  42           HN       VAL  42  -2.908   0.564  -6.343
  292    HA   VAL  42           HA       VAL  42  -3.313   1.621  -8.896
  293    HB   VAL  42           HB       VAL  42  -1.575   0.011  -8.467
  294   1HG1  VAL  42          HG12      VAL  42  -3.573  -1.352  -7.018
  295   2HG1  VAL  42          HG11      VAL  42  -3.078  -2.428  -8.326
  296   3HG1  VAL  42          HG13      VAL  42  -1.876  -1.798  -7.200
  297   1HG2  VAL  42          HG23      VAL  42  -2.823   0.077 -10.710
  298   2HG2  VAL  42          HG22      VAL  42  -1.812  -1.331 -10.388
  299   3HG2  VAL  42          HG21      VAL  42  -3.562  -1.438 -10.194
  300    H    GLU  43           HN       GLU  43  -5.454  -0.535  -7.041
  301    HA   GLU  43           HA       GLU  43  -7.126  -0.920  -9.462
  302   1HB   GLU  43           HB2      GLU  43  -6.627  -2.587  -7.309
  303   2HB   GLU  43           HB1      GLU  43  -8.207  -1.935  -6.934
  304   1HG   GLU  43           HG2      GLU  43  -8.201  -2.541  -9.707
  305   2HG   GLU  43           HG1      GLU  43  -7.526  -3.935  -8.865
  306    H    SER  44           HN       SER  44  -6.809   1.371  -7.059
  307    HA   SER  44           HA       SER  44  -9.729   2.018  -7.115
  308   1HB   SER  44           HB2      SER  44  -9.036   1.833  -4.854
  309   2HB   SER  44           HB1      SER  44  -7.523   2.679  -5.163
  310    HG   SER  44           HG       SER  44  -8.546   4.551  -5.110
  311    H    ASN  45           HN       ASN  45  -7.734   2.708  -9.264
  312    HA   ASN  45           HA       ASN  45  -7.192   4.588 -10.573
  313   1HB   ASN  45           HB2      ASN  45  -9.601   5.608  -9.045
  314   2HB   ASN  45           HB1      ASN  45  -8.834   6.510 -10.353
  315   1HD2  ASN  45          HD22      ASN  45 -10.796   4.769 -12.696
  316   2HD2  ASN  45          HD21      ASN  45 -10.165   6.252 -12.164
  317    H    GLY  46           HN       GLY  46  -5.843   4.219  -8.038
  318   1HA   GLY  46           HA2      GLY  46  -4.498   5.362  -6.514
  319   2HA   GLY  46           HA1      GLY  46  -4.271   6.506  -7.825
  320    H    THR  47           HN       THR  47  -7.302   5.799  -6.140
  321    HA   THR  47           HA       THR  47  -7.428   8.666  -5.331
  322    HB   THR  47           HB       THR  47  -9.821   8.320  -5.087
  323    HG1  THR  47           HG1      THR  47 -10.521   6.405  -4.656
  324   1HG2  THR  47          HG22      THR  47  -8.759   6.981  -7.589
  325   2HG2  THR  47          HG21      THR  47 -10.397   7.605  -7.391
  326   3HG2  THR  47          HG23      THR  47  -9.023   8.711  -7.371
  327    H    LEU  48           HN       LEU  48  -6.653   5.635  -4.125
  328    HA   LEU  48           HA       LEU  48  -7.689   5.989  -1.416
  329   1HB   LEU  48           HB2      LEU  48  -7.534   3.729  -1.870
  330   2HB   LEU  48           HB1      LEU  48  -6.155   3.942  -2.941
  331    HG   LEU  48           HG       LEU  48  -4.657   4.216  -1.052
  332   1HD1  LEU  48          HD11      LEU  48  -7.099   4.868   0.296
  333   2HD1  LEU  48          HD13      LEU  48  -6.330   3.526   1.141
  334   3HD1  LEU  48          HD12      LEU  48  -5.447   5.027   0.884
  335   1HD2  LEU  48          HD22      LEU  48  -5.561   1.889  -1.809
  336   2HD2  LEU  48          HD21      LEU  48  -4.667   1.989  -0.293
  337   3HD2  LEU  48          HD23      LEU  48  -6.428   1.906  -0.274
  338    H    THR  49           HN       THR  49  -4.473   5.819  -2.838
  339    HA   THR  49           HA       THR  49  -2.430   6.717  -2.242
  340    HB   THR  49           HB       THR  49  -2.931   8.987  -0.844
  341    HG1  THR  49           HG1      THR  49  -5.105   8.811  -2.596
  342   1HG2  THR  49          HG22      THR  49  -2.658   8.242  -3.678
  343   2HG2  THR  49          HG21      THR  49  -3.354   9.838  -3.393
  344   3HG2  THR  49          HG23      THR  49  -1.766   9.439  -2.736
  345    H    LEU  50           HN       LEU  50  -1.344   7.793  -0.082
  346    HA   LEU  50           HA       LEU  50  -2.189   6.083   2.180
  347   1HB   LEU  50           HB2      LEU  50  -0.221   5.212   1.091
  348   2HB   LEU  50           HB1      LEU  50   0.531   6.803   1.066
  349    HG   LEU  50           HG       LEU  50  -0.053   6.339   3.752
  350   1HD1  LEU  50          HD11      LEU  50  -0.391   3.945   2.767
  351   2HD1  LEU  50          HD13      LEU  50   1.370   3.933   2.690
  352   3HD1  LEU  50          HD12      LEU  50   0.556   4.148   4.241
  353   1HD2  LEU  50          HD23      LEU  50   2.254   6.585   1.958
  354   2HD2  LEU  50          HD22      LEU  50   1.996   7.298   3.550
  355   3HD2  LEU  50          HD21      LEU  50   2.599   5.647   3.410
  356    H    SER  51           HN       SER  51  -1.696   6.957   4.319
  357    HA   SER  51           HA       SER  51  -1.490   9.934   4.311
  358   1HB   SER  51           HB2      SER  51  -3.419   8.187   5.548
  359   2HB   SER  51           HB1      SER  51  -2.492   8.946   6.785
  360    HG   SER  51           HG       SER  51  -3.964  10.163   4.715
  361    H    HIS  52           HN       HIS  52  -0.257   6.915   5.512
  362    HA   HIS  52           HA       HIS  52   2.223   8.036   6.360
  363   1HB   HIS  52           HB2      HIS  52   2.031   7.961   8.772
  364   2HB   HIS  52           HB1      HIS  52   0.726   8.978   8.161
  365    HD1  HIS  52           HD1      HIS  52   1.191   6.445  10.558
  366    HD2  HIS  52           HD2      HIS  52  -1.674   7.022   7.581
  367    HE1  HIS  52           HE1      HIS  52  -0.812   5.031  11.201
  368    H    PHE  53           HN       PHE  53   3.695   6.361   6.840
  369    HA   PHE  53           HA       PHE  53   2.841   3.690   6.112
  370   1HB   PHE  53           HB2      PHE  53   5.443   4.812   7.170
  371   2HB   PHE  53           HB1      PHE  53   5.218   3.099   6.811
  372    HD1  PHE  53           HD2      PHE  53   4.719   6.475   5.255
  373    HD2  PHE  53           HD1      PHE  53   5.622   2.321   4.642
  374    HE1  PHE  53           HE2      PHE  53   5.125   6.919   2.850
  375    HE2  PHE  53           HE1      PHE  53   6.029   2.765   2.236
  376    HZ   PHE  53           HZ       PHE  53   5.781   5.064   1.340
  377    H    GLY  54           HN       GLY  54   1.751   2.399   7.490
  378   1HA   GLY  54           HA2      GLY  54   2.443   1.186   9.738
  379   2HA   GLY  54           HA1      GLY  54   2.038   2.766  10.393
  380    H    LYS  55           HN       LYS  55   0.482   0.992  11.387
  381    HA   LYS  55           HA       LYS  55  -1.878   0.490   9.716
  382   1HB   LYS  55           HB2      LYS  55  -2.595  -0.058  12.374
  383   2HB   LYS  55           HB1      LYS  55  -2.100  -1.228  11.157
  384   1HG   LYS  55           HG2      LYS  55   0.231  -1.018  11.844
  385   2HG   LYS  55           HG1      LYS  55  -0.197   0.249  12.994
  386   1HD   LYS  55           HD2      LYS  55  -1.764  -2.227  13.293
  387   2HD   LYS  55           HD1      LYS  55  -0.040  -2.419  13.615
  388   1HE   LYS  55           HE2      LYS  55  -1.434  -0.043  14.781
  389   2HE   LYS  55           HE1      LYS  55  -1.706  -1.616  15.530
  390   1HZ   LYS  55           HZ2      LYS  55   0.885  -1.747  15.324
  391   2HZ   LYS  55           HZ1      LYS  55   0.761  -0.053  15.324
  392   3HZ   LYS  55           HZ3      LYS  55   0.155  -0.946  16.632
  393    H    CYS  56           HN       CYS  56  -2.903   2.385   9.245
  394    HA   CYS  56           HA       CYS  56  -3.113   4.737  10.644
  395   1HB   CYS  56           HB2      CYS  56  -4.569   3.495   8.550
  396   2HB   CYS  56           HB1      CYS  56  -5.754   4.116   9.699
   
  No H/Q in entry =         396
  Start of MODEL          49
 Raw file had  401 H/Q atoms
  Start of MODEL   49
    1   1H    LEU   1           HT3      LEU   1   7.170  14.494   6.606
    2   2H    LEU   1           HT2      LEU   1   5.593  14.357   7.226
    3   3H    LEU   1           HT1      LEU   1   6.516  12.963   6.924
    4    HA   LEU   1           HA       LEU   1   4.884  13.233   5.190
    5   1HB   LEU   1           HB2      LEU   1   5.956  16.003   5.305
    6   2HB   LEU   1           HB1      LEU   1   5.570  15.382   3.699
    7    HG   LEU   1           HG       LEU   1   3.367  14.563   5.024
    8   1HD1  LEU   1          HD12      LEU   1   4.474  15.851   7.055
    9   2HD1  LEU   1          HD11      LEU   1   3.791  17.264   6.252
   10   3HD1  LEU   1          HD13      LEU   1   2.735  15.952   6.776
   11   1HD2  LEU   1          HD21      LEU   1   3.890  16.290   3.019
   12   2HD2  LEU   1          HD23      LEU   1   2.284  16.123   3.727
   13   3HD2  LEU   1          HD22      LEU   1   3.343  17.436   4.242
   14    H    ALA   2           HN       ALA   2   7.377  11.931   5.592
   15    HA   ALA   2           HA       ALA   2   9.318  12.452   3.579
   16   1HB   ALA   2           HB1      ALA   2   8.752  10.358   5.489
   17   2HB   ALA   2           HB3      ALA   2   9.214   9.652   3.940
   18   3HB   ALA   2           HB2      ALA   2  10.292  10.791   4.747
   19    H    ALA   3           HN       ALA   3   9.686  10.563   1.823
   20    HA   ALA   3           HA       ALA   3   7.916  10.928  -0.278
   21   1HB   ALA   3           HB2      ALA   3  10.088   9.750  -0.490
   22   2HB   ALA   3           HB1      ALA   3   9.401   8.355   0.343
   23   3HB   ALA   3           HB3      ALA   3   8.779   8.833  -1.236
   24    H    VAL   4           HN       VAL   4   5.720  10.851   0.253
   25    HA   VAL   4           HA       VAL   4   4.629   8.501   1.642
   26    HB   VAL   4           HB       VAL   4   3.138  10.790   0.330
   27   1HG1  VAL   4          HG13      VAL   4   2.425   8.671   2.365
   28   2HG1  VAL   4          HG12      VAL   4   1.463  10.132   2.145
   29   3HG1  VAL   4          HG11      VAL   4   1.646   8.989   0.815
   30   1HG2  VAL   4          HG21      VAL   4   4.514  10.523   2.990
   31   2HG2  VAL   4          HG23      VAL   4   4.459  11.910   1.901
   32   3HG2  VAL   4          HG22      VAL   4   3.045  11.491   2.867
   33    H    SER   5           HN       SER   5   5.582   7.149  -0.235
   34    HA   SER   5           HA       SER   5   3.391   6.328  -1.940
   35   1HB   SER   5           HB2      SER   5   4.726   8.444  -2.995
   36   2HB   SER   5           HB1      SER   5   5.702   7.120  -3.622
   37    HG   SER   5           HG       SER   5   3.078   7.839  -4.160
   38    H    VAL   6           HN       VAL   6   3.646   4.156  -1.973
   39    HA   VAL   6           HA       VAL   6   6.370   3.038  -1.632
   40    HB   VAL   6           HB       VAL   6   3.644   1.744  -1.485
   41   1HG1  VAL   6          HG11      VAL   6   6.333   0.643  -1.651
   42   2HG1  VAL   6          HG13      VAL   6   5.532   0.160  -0.156
   43   3HG1  VAL   6          HG12      VAL   6   4.781  -0.192  -1.712
   44   1HG2  VAL   6          HG23      VAL   6   5.106   3.340   0.377
   45   2HG2  VAL   6          HG22      VAL   6   3.588   2.483   0.643
   46   3HG2  VAL   6          HG21      VAL   6   5.124   1.679   0.970
   47    H    ASP   7           HN       ASP   7   4.892   4.058  -4.144
   48    HA   ASP   7           HA       ASP   7   4.901   3.523  -6.436
   49   1HB   ASP   7           HB2      ASP   7   7.284   3.133  -6.075
   50   2HB   ASP   7           HB1      ASP   7   6.953   1.516  -5.457
   51    H    CYS   8           HN       CYS   8   3.159   2.523  -7.330
   52    HA   CYS   8           HA       CYS   8   2.812  -0.388  -6.952
   53   1HB   CYS   8           HB2      CYS   8   0.482   1.459  -6.414
   54   2HB   CYS   8           HB1      CYS   8   0.593  -0.270  -6.091
   55    H    SER   9           HN       SER   9   3.560   1.017  -9.278
   56    HA   SER   9           HA       SER   9   1.108   1.328 -10.901
   57   1HB   SER   9           HB2      SER   9   3.219   2.823 -11.045
   58   2HB   SER   9           HB1      SER   9   3.935   1.484 -11.939
   59    HG   SER   9           HG       SER   9   2.493   1.761 -13.529
   60    H    GLU  10           HN       GLU  10   2.277  -1.336  -9.816
   61    HA   GLU  10           HA       GLU  10   2.114  -2.757 -12.443
   62   1HB   GLU  10           HB2      GLU  10   3.842  -4.327 -11.656
   63   2HB   GLU  10           HB1      GLU  10   4.456  -2.677 -11.695
   64   1HG   GLU  10           HG2      GLU  10   3.188  -3.434  -9.146
   65   2HG   GLU  10           HG1      GLU  10   4.659  -4.331  -9.526
   66    H    TYR  11           HN       TYR  11   0.687  -2.284  -9.550
   67    HA   TYR  11           HA       TYR  11   0.040  -5.023  -8.847
   68   1HB   TYR  11           HB2      TYR  11  -0.789  -2.287  -7.877
   69   2HB   TYR  11           HB1      TYR  11  -1.504  -3.753  -7.215
   70    HD1  TYR  11           HD2      TYR  11   1.677  -1.927  -7.746
   71    HD2  TYR  11           HD1      TYR  11  -0.250  -5.201  -5.739
   72    HE1  TYR  11           HE2      TYR  11   3.701  -2.264  -6.357
   73    HE2  TYR  11           HE1      TYR  11   1.783  -5.543  -4.353
   74    HH   TYR  11           HH       TYR  11   4.268  -5.032  -4.582
   75    HA   PRO  12           HA       PRO  12  -1.955  -5.449  -7.500
   76   1HB   PRO  12           HB2      PRO  12  -3.368  -7.778  -7.860
   77   2HB   PRO  12           HB1      PRO  12  -4.118  -6.239  -7.397
   78   1HG   PRO  12           HG2      PRO  12  -4.109  -7.602 -10.063
   79   2HG   PRO  12           HG1      PRO  12  -5.337  -6.543  -9.349
   80   1HD   PRO  12           HD2      PRO  12  -3.453  -5.744 -11.268
   81   2HD   PRO  12           HD1      PRO  12  -4.387  -4.675 -10.257
   82    H    LYS  13           HN       LYS  13  -1.326  -7.853  -6.848
   83    HA   LYS  13           HA       LYS  13   0.585  -8.948  -8.872
   84   1HB   LYS  13           HB2      LYS  13   1.171  -7.698  -6.372
   85   2HB   LYS  13           HB1      LYS  13   1.529  -9.414  -6.210
   86   1HG   LYS  13           HG2      LYS  13   2.826  -9.260  -8.374
   87   2HG   LYS  13           HG1      LYS  13   2.605  -7.511  -8.308
   88   1HD   LYS  13           HD2      LYS  13   3.629  -7.597  -5.976
   89   2HD   LYS  13           HD1      LYS  13   4.083  -9.263  -6.334
   90   1HE   LYS  13           HE2      LYS  13   5.499  -8.606  -8.127
   91   2HE   LYS  13           HE1      LYS  13   4.813  -6.983  -8.176
   92   1HZ   LYS  13           HZ3      LYS  13   5.788  -7.481  -5.593
   93   2HZ   LYS  13           HZ2      LYS  13   7.009  -7.875  -6.708
   94   3HZ   LYS  13           HZ1      LYS  13   6.317  -6.323  -6.715
   95    HA   PRO  14           HA       PRO  14  -1.447 -12.738  -7.858
   96   1HB   PRO  14           HB2      PRO  14   0.377 -14.439  -9.006
   97   2HB   PRO  14           HB1      PRO  14  -0.787 -13.474  -9.931
   98   1HG   PRO  14           HG2      PRO  14   2.145 -13.052  -9.579
   99   2HG   PRO  14           HG1      PRO  14   1.095 -12.572 -10.922
  100   1HD   PRO  14           HD2      PRO  14   2.051 -10.866  -8.908
  101   2HD   PRO  14           HD1      PRO  14   0.724 -10.510  -9.997
  102    H    ALA  15           HN       ALA  15   0.937 -11.596  -6.087
  103    HA   ALA  15           HA       ALA  15   0.838 -13.524  -4.029
  104   1HB   ALA  15           HB2      ALA  15   2.384 -14.483  -6.140
  105   2HB   ALA  15           HB1      ALA  15   3.572 -13.864  -4.994
  106   3HB   ALA  15           HB3      ALA  15   2.407 -15.085  -4.483
  107    H    CYS  16           HN       CYS  16   1.793 -12.642  -2.174
  108    HA   CYS  16           HA       CYS  16   3.877 -10.569  -2.526
  109   1HB   CYS  16           HB2      CYS  16   1.415  -9.922  -0.901
  110   2HB   CYS  16           HB1      CYS  16   2.684  -8.830  -1.441
  111    H    THR  17           HN       THR  17   5.404 -11.056  -1.090
  112    HA   THR  17           HA       THR  17   4.675 -12.436   1.434
  113    HB   THR  17           HB       THR  17   7.273 -12.364   1.708
  114    HG1  THR  17           HG1      THR  17   8.242 -11.462   0.095
  115   1HG2  THR  17          HG22      THR  17   5.488 -14.213   0.643
  116   2HG2  THR  17          HG21      THR  17   6.762 -14.124  -0.574
  117   3HG2  THR  17          HG23      THR  17   7.162 -14.535   1.093
  118    H    LEU  18           HN       LEU  18   7.460 -10.537   1.693
  119    HA   LEU  18           HA       LEU  18   7.865  -8.611   2.891
  120   1HB   LEU  18           HB2      LEU  18   5.324  -8.040   1.433
  121   2HB   LEU  18           HB1      LEU  18   5.969  -6.855   2.573
  122    HG   LEU  18           HG       LEU  18   8.210  -7.216   1.312
  123   1HD1  LEU  18          HD11      LEU  18   6.245  -8.700  -0.346
  124   2HD1  LEU  18          HD13      LEU  18   7.378  -7.670  -1.222
  125   3HD1  LEU  18          HD12      LEU  18   7.981  -8.947  -0.165
  126   1HD2  LEU  18          HD23      LEU  18   6.233  -5.338   1.115
  127   2HD2  LEU  18          HD22      LEU  18   7.757  -5.252   0.232
  128   3HD2  LEU  18          HD21      LEU  18   6.319  -5.904  -0.553
  129    H    GLU  19           HN       GLU  19   7.882  -9.472   4.850
  130    HA   GLU  19           HA       GLU  19   5.926 -10.514   6.489
  131   1HB   GLU  19           HB2      GLU  19   7.242  -9.336   8.422
  132   2HB   GLU  19           HB1      GLU  19   8.076 -10.518   7.417
  133   1HG   GLU  19           HG2      GLU  19   9.356  -8.366   7.787
  134   2HG   GLU  19           HG1      GLU  19   9.100  -8.787   6.097
  135    H    TYR  20           HN       TYR  20   5.516  -8.883   8.785
  136    HA   TYR  20           HA       TYR  20   3.302  -7.302   7.774
  137   1HB   TYR  20           HB2      TYR  20   3.430  -8.631  10.003
  138   2HB   TYR  20           HB1      TYR  20   4.216  -7.178  10.628
  139    HD1  TYR  20           HD2      TYR  20   1.485  -7.578   8.090
  140    HD2  TYR  20           HD1      TYR  20   2.624  -6.054  11.945
  141    HE1  TYR  20           HE2      TYR  20  -0.714  -6.450   8.289
  142    HE2  TYR  20           HE1      TYR  20   0.424  -4.930  12.148
  143    HH   TYR  20           HH       TYR  20  -2.137  -5.452   9.791
  144    H    ARG  21           HN       ARG  21   3.359  -5.331   7.139
  145    HA   ARG  21           HA       ARG  21   4.785  -3.189   8.508
  146   1HB   ARG  21           HB2      ARG  21   5.701  -4.273   5.852
  147   2HB   ARG  21           HB1      ARG  21   5.757  -2.529   6.118
  148   1HG   ARG  21           HG2      ARG  21   6.801  -3.916   8.429
  149   2HG   ARG  21           HG1      ARG  21   7.648  -4.442   6.974
  150   1HD   ARG  21           HD2      ARG  21   7.408  -1.683   6.649
  151   2HD   ARG  21           HD1      ARG  21   7.780  -1.880   8.362
  152    HE   ARG  21           HE       ARG  21   9.841  -3.061   7.701
  153   1HH1  ARG  21          HH21      ARG  21   7.995  -2.604   4.924
  154   2HH1  ARG  21          HH22      ARG  21   9.306  -2.054   3.934
  155   1HH2  ARG  21          HH11      ARG  21  11.565  -1.883   6.556
  156   2HH2  ARG  21          HH12      ARG  21  11.327  -1.648   4.857
  157    HA   PRO  22           HA       PRO  22   0.610  -2.617   6.610
  158   1HB   PRO  22           HB2      PRO  22  -0.316  -1.107   8.741
  159   2HB   PRO  22           HB1      PRO  22  -0.436  -2.881   8.613
  160   1HG   PRO  22           HG2      PRO  22   1.487  -1.216  10.201
  161   2HG   PRO  22           HG1      PRO  22   0.806  -2.809  10.577
  162   1HD   PRO  22           HD2      PRO  22   3.377  -2.430   9.618
  163   2HD   PRO  22           HD1      PRO  22   2.455  -3.935   9.407
  164    H    LEU  23           HN       LEU  23   0.273  -1.087   5.125
  165    HA   LEU  23           HA       LEU  23   1.261   1.680   5.698
  166   1HB   LEU  23           HB2      LEU  23   0.700   0.341   3.025
  167   2HB   LEU  23           HB1      LEU  23   1.339   1.971   3.254
  168    HG   LEU  23           HG       LEU  23   2.886  -0.002   4.734
  169   1HD1  LEU  23          HD11      LEU  23   1.940  -0.934   2.268
  170   2HD1  LEU  23          HD13      LEU  23   3.576  -0.363   1.936
  171   3HD1  LEU  23          HD12      LEU  23   3.303  -1.579   3.183
  172   1HD2  LEU  23          HD22      LEU  23   3.258   2.309   2.917
  173   2HD2  LEU  23          HD21      LEU  23   4.085   1.915   4.425
  174   3HD2  LEU  23          HD23      LEU  23   4.566   1.125   2.924
  175    H    CYS  24           HN       CYS  24  -0.453   3.060   6.124
  176    HA   CYS  24           HA       CYS  24  -3.151   2.047   5.521
  177   1HB   CYS  24           HB2      CYS  24  -2.070   3.773   7.517
  178   2HB   CYS  24           HB1      CYS  24  -3.298   4.668   6.638
  179    H    GLY  25           HN       GLY  25  -4.772   3.613   4.648
  180   1HA   GLY  25           HA2      GLY  25  -3.611   5.058   2.321
  181   2HA   GLY  25           HA1      GLY  25  -5.108   4.264   2.309
  182    H    SER  26           HN       SER  26  -5.132   6.860   1.516
  183    HA   SER  26           HA       SER  26  -5.600   8.573   3.842
  184   1HB   SER  26           HB2      SER  26  -4.787   9.567   1.753
  185   2HB   SER  26           HB1      SER  26  -6.223   9.009   0.902
  186    HG   SER  26           HG       SER  26  -5.945  11.012   2.857
  187    H    ASP  27           HN       ASP  27  -7.351   6.104   2.524
  188    HA   ASP  27           HA       ASP  27 -10.005   7.361   2.873
  189   1HB   ASP  27           HB2      ASP  27 -10.747   4.942   2.291
  190   2HB   ASP  27           HB1      ASP  27  -9.990   5.902   1.019
  191    H    ASN  28           HN       ASN  28  -7.765   6.267   4.946
  192    HA   ASN  28           HA       ASN  28  -7.943   5.744   7.230
  193   1HB   ASN  28           HB2      ASN  28 -10.918   5.392   6.850
  194   2HB   ASN  28           HB1      ASN  28 -10.046   5.816   8.322
  195   1HD2  ASN  28          HD22      ASN  28  -9.340   9.198   6.966
  196   2HD2  ASN  28          HD21      ASN  28  -8.423   7.907   7.579
  197    H    LYS  29           HN       LYS  29  -7.702   3.759   5.002
  198    HA   LYS  29           HA       LYS  29  -8.780   1.383   6.469
  199   1HB   LYS  29           HB2      LYS  29  -9.447   1.996   3.948
  200   2HB   LYS  29           HB1      LYS  29  -7.937   1.145   3.613
  201   1HG   LYS  29           HG2      LYS  29  -9.339  -0.676   3.645
  202   2HG   LYS  29           HG1      LYS  29  -9.011  -0.580   5.376
  203   1HD   LYS  29           HD2      LYS  29 -11.353  -0.678   5.316
  204   2HD   LYS  29           HD1      LYS  29 -11.049   1.057   5.418
  205   1HE   LYS  29           HE2      LYS  29 -11.132  -0.113   2.685
  206   2HE   LYS  29           HE1      LYS  29 -12.667  -0.026   3.551
  207   1HZ   LYS  29           HZ2      LYS  29 -11.862   2.370   4.073
  208   2HZ   LYS  29           HZ1      LYS  29 -10.887   2.149   2.700
  209   3HZ   LYS  29           HZ3      LYS  29 -12.573   2.026   2.570
  210    H    THR  30           HN       THR  30  -7.315  -0.374   6.796
  211    HA   THR  30           HA       THR  30  -4.453   0.411   6.471
  212    HB   THR  30           HB       THR  30  -5.803  -1.543   8.346
  213    HG1  THR  30           HG1      THR  30  -5.881   0.676   8.884
  214   1HG2  THR  30          HG23      THR  30  -3.084  -1.489   7.339
  215   2HG2  THR  30          HG22      THR  30  -3.107  -1.200   9.079
  216   3HG2  THR  30          HG21      THR  30  -3.846  -2.659   8.416
  217    H    TYR  31           HN       TYR  31  -3.070  -0.850   5.304
  218    HA   TYR  31           HA       TYR  31  -4.203  -3.368   4.158
  219   1HB   TYR  31           HB2      TYR  31  -2.353  -1.294   2.965
  220   2HB   TYR  31           HB1      TYR  31  -2.514  -2.913   2.278
  221    HD1  TYR  31           HD2      TYR  31  -4.716  -3.712   1.436
  222    HD2  TYR  31           HD1      TYR  31  -4.137   0.325   2.786
  223    HE1  TYR  31           HE2      TYR  31  -6.838  -3.041   0.342
  224    HE2  TYR  31           HE1      TYR  31  -6.259   0.994   1.694
  225    HH   TYR  31           HH       TYR  31  -8.068   0.292   0.611
  226    H    GLY  32           HN       GLY  32  -2.982  -5.219   4.467
  227   1HA   GLY  32           HA2      GLY  32  -1.297  -5.536   6.564
  228   2HA   GLY  32           HA1      GLY  32  -1.118  -6.540   5.141
  229    H    ASN  33           HN       ASN  33  -0.057  -4.804   3.258
  230    HA   ASN  33           HA       ASN  33   1.990  -3.180   4.482
  231   1HB   ASN  33           HB2      ASN  33   3.931  -4.466   3.908
  232   2HB   ASN  33           HB1      ASN  33   2.853  -5.502   4.818
  233   1HD2  ASN  33          HD22      ASN  33   3.764  -7.616   2.011
  234   2HD2  ASN  33          HD21      ASN  33   4.406  -7.057   3.477
  235    H    LYS  34           HN       LYS  34   3.850  -3.696   2.222
  236    HA   LYS  34           HA       LYS  34   2.954  -1.604   0.567
  237   1HB   LYS  34           HB2      LYS  34   5.104  -1.661  -0.070
  238   2HB   LYS  34           HB1      LYS  34   5.309  -3.050   0.981
  239   1HG   LYS  34           HG2      LYS  34   4.919  -4.588  -0.827
  240   2HG   LYS  34           HG1      LYS  34   4.401  -3.286  -1.902
  241   1HD   LYS  34           HD2      LYS  34   6.737  -2.276  -1.536
  242   2HD   LYS  34           HD1      LYS  34   7.180  -3.838  -0.847
  243   1HE   LYS  34           HE2      LYS  34   6.931  -4.958  -2.876
  244   2HE   LYS  34           HE1      LYS  34   5.823  -3.749  -3.524
  245   1HZ   LYS  34           HZ2      LYS  34   8.061  -2.315  -3.100
  246   2HZ   LYS  34           HZ1      LYS  34   8.704  -3.818  -3.568
  247   3HZ   LYS  34           HZ3      LYS  34   7.623  -3.005  -4.590
  248    H    CYS  35           HN       CYS  35   2.806  -5.150  -0.071
  249    HA   CYS  35           HA       CYS  35   1.782  -4.687  -2.735
  250   1HB   CYS  35           HB2      CYS  35   2.864  -6.807  -2.331
  251   2HB   CYS  35           HB1      CYS  35   1.765  -7.169  -0.998
  252    H    ASN  36           HN       ASN  36   0.281  -5.351   0.406
  253    HA   ASN  36           HA       ASN  36  -2.381  -5.551  -0.733
  254   1HB   ASN  36           HB2      ASN  36  -1.457  -5.105   2.116
  255   2HB   ASN  36           HB1      ASN  36  -3.129  -5.411   1.645
  256   1HD2  ASN  36          HD22      ASN  36  -0.384  -8.463   1.347
  257   2HD2  ASN  36          HD21      ASN  36   0.149  -6.861   1.474
  258    H    PHE  37           HN       PHE  37  -0.321  -2.969   0.305
  259    HA   PHE  37           HA       PHE  37  -2.475  -0.975   0.490
  260   1HB   PHE  37           HB2      PHE  37  -0.306  -0.778   1.714
  261   2HB   PHE  37           HB1      PHE  37   0.514  -0.498   0.297
  262    HD1  PHE  37           HD1      PHE  37  -2.576   0.832   1.898
  263    HD2  PHE  37           HD2      PHE  37   0.915   1.535  -0.456
  264    HE1  PHE  37           HE1      PHE  37  -3.209   3.232   1.681
  265    HE2  PHE  37           HE2      PHE  37   0.313   3.918  -0.682
  266    HZ   PHE  37           HZ       PHE  37  -1.753   4.778   0.390
  267    H    CYS  38           HN       CYS  38  -0.107  -2.122  -1.645
  268    HA   CYS  38           HA       CYS  38  -0.358  -0.049  -3.648
  269   1HB   CYS  38           HB2      CYS  38   0.897  -2.780  -3.576
  270   2HB   CYS  38           HB1      CYS  38   0.702  -1.947  -5.114
  271    H    ASN  39           HN       ASN  39  -1.850  -3.265  -3.251
  272    HA   ASN  39           HA       ASN  39  -3.151  -3.364  -5.779
  273   1HB   ASN  39           HB2      ASN  39  -4.049  -4.425  -3.074
  274   2HB   ASN  39           HB1      ASN  39  -4.824  -4.834  -4.603
  275   1HD2  ASN  39          HD22      ASN  39  -1.947  -7.206  -3.578
  276   2HD2  ASN  39          HD21      ASN  39  -3.090  -6.449  -2.581
  277    H    ALA  40           HN       ALA  40  -3.952  -1.719  -2.770
  278    HA   ALA  40           HA       ALA  40  -6.569  -0.829  -3.667
  279   1HB   ALA  40           HB2      ALA  40  -4.744  -0.177  -1.369
  280   2HB   ALA  40           HB1      ALA  40  -6.125   0.865  -1.709
  281   3HB   ALA  40           HB3      ALA  40  -6.377  -0.839  -1.338
  282    H    VAL  41           HN       VAL  41  -3.279   0.324  -3.866
  283    HA   VAL  41           HA       VAL  41  -3.902   3.048  -4.623
  284    HB   VAL  41           HB       VAL  41  -1.454   1.293  -4.958
  285   1HG1  VAL  41          HG12      VAL  41  -2.083   3.977  -6.078
  286   2HG1  VAL  41          HG11      VAL  41  -0.484   3.771  -5.365
  287   3HG1  VAL  41          HG13      VAL  41  -0.999   2.726  -6.688
  288   1HG2  VAL  41          HG21      VAL  41  -2.126   3.652  -3.174
  289   2HG2  VAL  41          HG23      VAL  41  -1.909   1.978  -2.671
  290   3HG2  VAL  41          HG22      VAL  41  -0.534   2.900  -3.270
  291    H    VAL  42           HN       VAL  42  -3.435   0.020  -6.372
  292    HA   VAL  42           HA       VAL  42  -3.555   1.373  -8.962
  293    HB   VAL  42           HB       VAL  42  -2.008  -0.433  -8.838
  294   1HG1  VAL  42          HG11      VAL  42  -4.165  -1.699  -7.271
  295   2HG1  VAL  42          HG13      VAL  42  -3.250  -2.783  -8.316
  296   3HG1  VAL  42          HG12      VAL  42  -2.417  -1.826  -7.091
  297   1HG2  VAL  42          HG21      VAL  42  -3.991  -0.365 -10.688
  298   2HG2  VAL  42          HG23      VAL  42  -2.633  -1.489 -10.744
  299   3HG2  VAL  42          HG22      VAL  42  -4.178  -2.005 -10.063
  300    H    GLU  43           HN       GLU  43  -5.760  -0.118  -6.748
  301    HA   GLU  43           HA       GLU  43  -7.762  -0.617  -8.842
  302   1HB   GLU  43           HB2      GLU  43  -9.125  -1.303  -6.848
  303   2HB   GLU  43           HB1      GLU  43  -7.727  -2.296  -7.087
  304   1HG   GLU  43           HG2      GLU  43  -7.254  -1.855  -4.955
  305   2HG   GLU  43           HG1      GLU  43  -6.891  -0.202  -5.449
  306    H    SER  44           HN       SER  44  -6.775   1.779  -6.576
  307    HA   SER  44           HA       SER  44  -9.401   3.167  -6.691
  308   1HB   SER  44           HB2      SER  44  -8.433   4.657  -4.984
  309   2HB   SER  44           HB1      SER  44  -8.257   2.973  -4.501
  310    HG   SER  44           HG       SER  44  -6.363   4.834  -4.993
  311    H    ASN  45           HN       ASN  45  -6.885   2.958  -8.709
  312    HA   ASN  45           HA       ASN  45  -6.276   4.346 -10.519
  313   1HB   ASN  45           HB2      ASN  45  -8.694   5.478  -9.631
  314   2HB   ASN  45           HB1      ASN  45  -7.548   6.814  -9.670
  315   1HD2  ASN  45          HD22      ASN  45  -8.431   4.878 -13.187
  316   2HD2  ASN  45          HD21      ASN  45  -8.661   4.070 -11.712
  317    H    GLY  46           HN       GLY  46  -5.339   4.460  -7.491
  318   1HA   GLY  46           HA2      GLY  46  -3.344   5.329  -6.582
  319   2HA   GLY  46           HA1      GLY  46  -3.147   6.326  -8.021
  320    H    THR  47           HN       THR  47  -6.222   6.448  -6.462
  321    HA   THR  47           HA       THR  47  -5.583   9.201  -5.527
  322    HB   THR  47           HB       THR  47  -7.615   8.537  -7.072
  323    HG1  THR  47           HG1      THR  47  -7.517  10.589  -6.420
  324   1HG2  THR  47          HG22      THR  47  -8.357   6.779  -5.359
  325   2HG2  THR  47          HG21      THR  47  -8.892   8.134  -4.364
  326   3HG2  THR  47          HG23      THR  47  -9.606   7.872  -5.955
  327    H    LEU  48           HN       LEU  48  -5.330   6.273  -4.264
  328    HA   LEU  48           HA       LEU  48  -6.818   6.594  -1.778
  329   1HB   LEU  48           HB2      LEU  48  -6.478   4.357  -1.693
  330   2HB   LEU  48           HB1      LEU  48  -5.557   4.476  -3.181
  331    HG   LEU  48           HG       LEU  48  -3.518   5.007  -1.760
  332   1HD1  LEU  48          HD11      LEU  48  -5.240   5.486   0.235
  333   2HD1  LEU  48          HD13      LEU  48  -4.901   3.785   0.557
  334   3HD1  LEU  48          HD12      LEU  48  -3.584   4.952   0.517
  335   1HD2  LEU  48          HD21      LEU  48  -4.263   2.690  -2.658
  336   2HD2  LEU  48          HD23      LEU  48  -3.028   2.744  -1.400
  337   3HD2  LEU  48          HD22      LEU  48  -4.695   2.354  -0.980
  338    H    THR  49           HN       THR  49  -3.435   6.631  -2.687
  339    HA   THR  49           HA       THR  49  -1.561   7.615  -1.763
  340    HB   THR  49           HB       THR  49  -1.784   9.762  -0.937
  341    HG1  THR  49           HG1      THR  49  -3.293  10.343   0.444
  342   1HG2  THR  49          HG21      THR  49  -2.892   9.352  -3.207
  343   2HG2  THR  49          HG23      THR  49  -4.432   9.467  -2.355
  344   3HG2  THR  49          HG22      THR  49  -3.334  10.847  -2.382
  345    H    LEU  50           HN       LEU  50  -0.319   7.110  -0.045
  346    HA   LEU  50           HA       LEU  50  -1.476   5.515   2.071
  347   1HB   LEU  50           HB2      LEU  50   0.634   4.796   1.475
  348   2HB   LEU  50           HB1      LEU  50   1.241   6.430   1.208
  349    HG   LEU  50           HG       LEU  50   1.008   6.710   3.772
  350   1HD1  LEU  50          HD13      LEU  50   0.475   3.812   3.320
  351   2HD1  LEU  50          HD12      LEU  50   1.488   4.240   4.698
  352   3HD1  LEU  50          HD11      LEU  50  -0.149   4.881   4.575
  353   1HD2  LEU  50          HD23      LEU  50   3.030   5.525   2.073
  354   2HD2  LEU  50          HD22      LEU  50   3.234   6.615   3.444
  355   3HD2  LEU  50          HD21      LEU  50   3.139   4.874   3.708
  356    H    SER  51           HN       SER  51  -2.254   6.292   3.964
  357    HA   SER  51           HA       SER  51  -2.185   9.146   4.514
  358   1HB   SER  51           HB2      SER  51  -4.077   7.815   4.964
  359   2HB   SER  51           HB1      SER  51  -3.365   6.808   6.102
  360    HG   SER  51           HG       SER  51  -4.281   8.358   7.310
  361    H    HIS  52           HN       HIS  52  -0.211   6.601   5.176
  362    HA   HIS  52           HA       HIS  52   1.878   7.901   6.381
  363   1HB   HIS  52           HB2      HIS  52   1.495   7.331   8.863
  364   2HB   HIS  52           HB1      HIS  52   0.607   8.713   8.220
  365    HD1  HIS  52           HD1      HIS  52   0.173   5.126   9.246
  366    HD2  HIS  52           HD2      HIS  52  -2.203   8.329   8.016
  367    HE1  HIS  52           HE1      HIS  52  -2.217   4.408   9.605
  368    H    PHE  53           HN       PHE  53   3.531   6.415   7.079
  369    HA   PHE  53           HA       PHE  53   3.111   3.692   6.171
  370   1HB   PHE  53           HB2      PHE  53   5.420   5.039   7.590
  371   2HB   PHE  53           HB1      PHE  53   5.434   3.347   7.091
  372    HD1  PHE  53           HD2      PHE  53   4.940   6.814   5.797
  373    HD2  PHE  53           HD1      PHE  53   5.955   2.746   4.865
  374    HE1  PHE  53           HE2      PHE  53   5.554   7.496   3.494
  375    HE2  PHE  53           HE1      PHE  53   6.570   3.427   2.560
  376    HZ   PHE  53           HZ       PHE  53   6.368   5.803   1.874
  377    H    GLY  54           HN       GLY  54   1.922   2.337   7.388
  378   1HA   GLY  54           HA2      GLY  54   2.355   0.976   9.567
  379   2HA   GLY  54           HA1      GLY  54   2.058   2.514  10.321
  380    H    LYS  55           HN       LYS  55   0.316   0.944  11.195
  381    HA   LYS  55           HA       LYS  55  -2.040   0.698   9.455
  382   1HB   LYS  55           HB2      LYS  55  -2.925   0.204  12.045
  383   2HB   LYS  55           HB1      LYS  55  -2.421  -1.018  10.883
  384   1HG   LYS  55           HG2      LYS  55  -0.167  -1.006  11.760
  385   2HG   LYS  55           HG1      LYS  55  -0.527   0.379  12.793
  386   1HD   LYS  55           HD2      LYS  55  -0.749  -1.409  14.286
  387   2HD   LYS  55           HD1      LYS  55  -2.413  -1.166  13.754
  388   1HE   LYS  55           HE2      LYS  55  -0.726  -3.001  12.122
  389   2HE   LYS  55           HE1      LYS  55  -1.245  -3.582  13.704
  390   1HZ   LYS  55           HZ1      LYS  55  -3.525  -2.602  12.859
  391   2HZ   LYS  55           HZ3      LYS  55  -2.841  -2.936  11.343
  392   3HZ   LYS  55           HZ2      LYS  55  -3.038  -4.185  12.479
  393    H    CYS  56           HN       CYS  56  -4.067   1.778   9.932
  394    HA   CYS  56           HA       CYS  56  -3.800   4.567  10.511
  395   1HB   CYS  56           HB2      CYS  56  -6.172   2.726  10.213
  396   2HB   CYS  56           HB1      CYS  56  -6.374   4.431  10.618
   
  No H/Q in entry =         396
  Start of MODEL          50
 Raw file had  401 H/Q atoms
  Start of MODEL   50
    1   1H    LEU   1           HT1      LEU   1  -0.552  19.233  -0.584
    2   2H    LEU   1           HT3      LEU   1  -1.616  19.690  -1.824
    3   3H    LEU   1           HT2      LEU   1  -2.227  19.253  -0.301
    4    HA   LEU   1           HA       LEU   1  -2.607  17.403  -1.677
    5   1HB   LEU   1           HB2      LEU   1  -0.817  16.427  -3.052
    6   2HB   LEU   1           HB1      LEU   1  -1.059  18.121  -3.477
    7    HG   LEU   1           HG       LEU   1   0.981  17.346  -1.402
    8   1HD1  LEU   1          HD12      LEU   1   1.063  16.865  -4.311
    9   2HD1  LEU   1          HD11      LEU   1   2.444  17.765  -3.685
   10   3HD1  LEU   1          HD13      LEU   1   2.056  16.175  -3.028
   11   1HD2  LEU   1          HD23      LEU   1   0.054  19.752  -2.680
   12   2HD2  LEU   1          HD22      LEU   1   1.254  19.582  -1.400
   13   3HD2  LEU   1          HD21      LEU   1   1.749  19.498  -3.090
   14    H    ALA   2           HN       ALA   2  -0.671  15.259  -1.611
   15    HA   ALA   2           HA       ALA   2   0.258  15.154   1.193
   16   1HB   ALA   2           HB2      ALA   2  -2.110  14.372   1.241
   17   2HB   ALA   2           HB1      ALA   2  -1.695  13.122   0.067
   18   3HB   ALA   2           HB3      ALA   2  -0.974  13.095   1.677
   19    H    ALA   3           HN       ALA   3   1.617  13.186   1.555
   20    HA   ALA   3           HA       ALA   3   2.773  12.207  -1.029
   21   1HB   ALA   3           HB3      ALA   3   4.315  13.680   0.253
   22   2HB   ALA   3           HB2      ALA   3   4.186  12.581   1.627
   23   3HB   ALA   3           HB1      ALA   3   4.925  12.030   0.124
   24    H    VAL   4           HN       VAL   4   4.012  10.100  -0.661
   25    HA   VAL   4           HA       VAL   4   2.960   8.423   1.498
   26    HB   VAL   4           HB       VAL   4   1.209   8.062  -0.125
   27   1HG1  VAL   4          HG11      VAL   4   3.482   7.619  -2.070
   28   2HG1  VAL   4          HG13      VAL   4   1.783   7.315  -2.431
   29   3HG1  VAL   4          HG12      VAL   4   2.332   8.956  -2.089
   30   1HG2  VAL   4          HG22      VAL   4   3.064   6.037   0.684
   31   2HG2  VAL   4          HG21      VAL   4   1.344   5.856   0.352
   32   3HG2  VAL   4          HG23      VAL   4   2.517   5.652  -0.947
   33    H    SER   5           HN       SER   5   4.602   7.220   2.175
   34    HA   SER   5           HA       SER   5   7.102   7.193   0.762
   35   1HB   SER   5           HB2      SER   5   6.814   5.210   2.897
   36   2HB   SER   5           HB1      SER   5   7.971   6.528   2.738
   37    HG   SER   5           HG       SER   5   6.701   7.759   3.885
   38    H    VAL   6           HN       VAL   6   4.626   5.623  -0.417
   39    HA   VAL   6           HA       VAL   6   6.159   3.095  -0.833
   40    HB   VAL   6           HB       VAL   6   3.750   3.182   0.359
   41   1HG1  VAL   6          HG13      VAL   6   2.979   4.140  -2.036
   42   2HG1  VAL   6          HG12      VAL   6   2.831   2.413  -2.360
   43   3HG1  VAL   6          HG11      VAL   6   1.932   3.141  -1.029
   44   1HG2  VAL   6          HG21      VAL   6   5.292   1.229  -1.161
   45   2HG2  VAL   6          HG23      VAL   6   4.420   1.027   0.359
   46   3HG2  VAL   6          HG22      VAL   6   3.568   0.859  -1.176
   47    H    ASP   7           HN       ASP   7   4.766   2.057  -2.962
   48    HA   ASP   7           HA       ASP   7   4.671   4.120  -5.086
   49   1HB   ASP   7           HB2      ASP   7   7.069   3.254  -4.848
   50   2HB   ASP   7           HB1      ASP   7   6.455   1.691  -5.384
   51    H    CYS   8           HN       CYS   8   4.113   2.867  -7.274
   52    HA   CYS   8           HA       CYS   8   2.621   0.372  -6.810
   53   1HB   CYS   8           HB2      CYS   8   1.302   3.020  -7.301
   54   2HB   CYS   8           HB1      CYS   8   0.573   1.548  -7.930
   55    H    SER   9           HN       SER   9   4.859   0.933  -8.497
   56    HA   SER   9           HA       SER   9   3.741   1.226 -11.213
   57   1HB   SER   9           HB2      SER   9   5.959   2.268 -10.426
   58   2HB   SER   9           HB1      SER   9   6.621   0.638 -10.524
   59    HG   SER   9           HG       SER   9   5.507   0.778 -12.743
   60    H    GLU  10           HN       GLU  10   3.727  -1.263  -9.183
   61    HA   GLU  10           HA       GLU  10   3.846  -3.220 -11.395
   62   1HB   GLU  10           HB2      GLU  10   5.467  -3.649  -8.875
   63   2HB   GLU  10           HB1      GLU  10   5.384  -4.720 -10.271
   64   1HG   GLU  10           HG2      GLU  10   7.382  -3.568 -10.657
   65   2HG   GLU  10           HG1      GLU  10   6.233  -2.627 -11.601
   66    H    TYR  11           HN       TYR  11   1.505  -2.524 -10.173
   67    HA   TYR  11           HA       TYR  11   0.886  -4.961  -8.659
   68   1HB   TYR  11           HB2      TYR  11   0.226  -2.149  -7.764
   69   2HB   TYR  11           HB1      TYR  11  -0.519  -3.595  -7.077
   70    HD1  TYR  11           HD1      TYR  11   1.000  -5.393  -6.072
   71    HD2  TYR  11           HD2      TYR  11   2.385  -1.457  -7.081
   72    HE1  TYR  11           HE1      TYR  11   2.982  -5.719  -4.614
   73    HE2  TYR  11           HE2      TYR  11   4.368  -1.782  -5.626
   74    HH   TYR  11           HH       TYR  11   5.463  -4.618  -4.624
   75    HA   PRO  12           HA       PRO  12  -0.887  -5.573  -7.645
   76   1HB   PRO  12           HB2      PRO  12  -2.327  -7.821  -8.314
   77   2HB   PRO  12           HB1      PRO  12  -3.068  -6.373  -7.612
   78   1HG   PRO  12           HG2      PRO  12  -3.115  -7.319 -10.454
   79   2HG   PRO  12           HG1      PRO  12  -4.329  -6.383  -9.565
   80   1HD   PRO  12           HD2      PRO  12  -2.473  -5.293 -11.371
   81   2HD   PRO  12           HD1      PRO  12  -3.401  -4.408 -10.213
   82    H    LYS  13           HN       LYS  13   0.429  -7.456  -7.234
   83    HA   LYS  13           HA       LYS  13   1.910  -8.447  -9.627
   84   1HB   LYS  13           HB2      LYS  13   2.934  -9.079  -6.913
   85   2HB   LYS  13           HB1      LYS  13   3.800  -8.502  -8.336
   86   1HG   LYS  13           HG2      LYS  13   2.306  -6.308  -7.758
   87   2HG   LYS  13           HG1      LYS  13   2.576  -6.957  -6.140
   88   1HD   LYS  13           HD2      LYS  13   4.720  -6.365  -8.202
   89   2HD   LYS  13           HD1      LYS  13   4.403  -5.426  -6.745
   90   1HE   LYS  13           HE2      LYS  13   5.337  -7.008  -5.356
   91   2HE   LYS  13           HE1      LYS  13   4.873  -8.350  -6.402
   92   1HZ   LYS  13           HZ1      LYS  13   6.584  -7.031  -7.968
   93   2HZ   LYS  13           HZ3      LYS  13   7.259  -6.711  -6.445
   94   3HZ   LYS  13           HZ2      LYS  13   7.031  -8.317  -6.951
   95    HA   PRO  14           HA       PRO  14   0.442 -12.555  -8.980
   96   1HB   PRO  14           HB2      PRO  14   2.670 -14.154  -8.784
   97   2HB   PRO  14           HB1      PRO  14   2.091 -13.446 -10.303
   98   1HG   PRO  14           HG2      PRO  14   4.389 -12.597  -8.583
   99   2HG   PRO  14           HG1      PRO  14   4.201 -12.484 -10.341
  100   1HD   PRO  14           HD2      PRO  14   3.888 -10.352  -8.595
  101   2HD   PRO  14           HD1      PRO  14   3.195 -10.430 -10.211
  102    H    ALA  15           HN       ALA  15   1.623 -10.989  -6.413
  103    HA   ALA  15           HA       ALA  15   0.490 -12.642  -4.449
  104   1HB   ALA  15           HB1      ALA  15   3.064 -13.593  -5.330
  105   2HB   ALA  15           HB3      ALA  15   3.169 -13.078  -3.646
  106   3HB   ALA  15           HB2      ALA  15   1.983 -14.292  -4.124
  107    H    CYS  16           HN       CYS  16   1.026 -11.895  -2.229
  108    HA   CYS  16           HA       CYS  16   2.104  -9.109  -2.292
  109   1HB   CYS  16           HB2      CYS  16   0.122 -10.429  -0.406
  110   2HB   CYS  16           HB1      CYS  16   0.768  -8.806  -0.181
  111    H    THR  17           HN       THR  17   3.939  -8.707  -1.118
  112    HA   THR  17           HA       THR  17   5.626 -10.643  -0.082
  113    HB   THR  17           HB       THR  17   6.550  -8.822   1.412
  114    HG1  THR  17           HG1      THR  17   4.652  -7.731   1.863
  115   1HG2  THR  17          HG22      THR  17   6.894  -9.154  -1.183
  116   2HG2  THR  17          HG21      THR  17   5.999  -7.637  -1.285
  117   3HG2  THR  17          HG23      THR  17   7.515  -7.709  -0.385
  118    H    LEU  18           HN       LEU  18   5.985 -11.510   2.054
  119    HA   LEU  18           HA       LEU  18   3.471 -11.762   3.582
  120   1HB   LEU  18           HB2      LEU  18   4.907 -13.431   4.924
  121   2HB   LEU  18           HB1      LEU  18   4.543 -13.853   3.251
  122    HG   LEU  18           HG       LEU  18   7.000 -12.240   3.693
  123   1HD1  LEU  18          HD13      LEU  18   6.530 -14.553   5.265
  124   2HD1  LEU  18          HD12      LEU  18   7.650 -15.031   3.989
  125   3HD1  LEU  18          HD11      LEU  18   8.053 -13.689   5.059
  126   1HD2  LEU  18          HD23      LEU  18   5.827 -13.679   1.615
  127   2HD2  LEU  18          HD22      LEU  18   7.481 -13.070   1.642
  128   3HD2  LEU  18          HD21      LEU  18   7.141 -14.724   2.153
  129    H    GLU  19           HN       GLU  19   6.659 -10.300   3.905
  130    HA   GLU  19           HA       GLU  19   6.885  -9.880   6.644
  131   1HB   GLU  19           HB2      GLU  19   7.308  -7.777   4.493
  132   2HB   GLU  19           HB1      GLU  19   7.997  -7.745   6.116
  133   1HG   GLU  19           HG2      GLU  19   9.671  -9.127   5.516
  134   2HG   GLU  19           HG1      GLU  19   8.540 -10.276   4.799
  135    H    TYR  20           HN       TYR  20   5.766  -8.629   8.169
  136    HA   TYR  20           HA       TYR  20   3.191  -7.561   7.226
  137   1HB   TYR  20           HB2      TYR  20   3.330  -8.966   9.297
  138   2HB   TYR  20           HB1      TYR  20   4.246  -7.665  10.064
  139    HD1  TYR  20           HD2      TYR  20   1.382  -7.437   7.678
  140    HD2  TYR  20           HD1      TYR  20   2.766  -6.776  11.691
  141    HE1  TYR  20           HE2      TYR  20  -0.727  -6.254   8.203
  142    HE2  TYR  20           HE1      TYR  20   0.652  -5.589  12.220
  143    HH   TYR  20           HH       TYR  20  -1.607  -5.420  11.433
  144    H    ARG  21           HN       ARG  21   4.145  -5.748   6.054
  145    HA   ARG  21           HA       ARG  21   4.987  -3.510   7.854
  146   1HB   ARG  21           HB2      ARG  21   5.357  -3.690   4.846
  147   2HB   ARG  21           HB1      ARG  21   6.093  -2.524   5.947
  148   1HG   ARG  21           HG2      ARG  21   6.567  -5.511   6.109
  149   2HG   ARG  21           HG1      ARG  21   7.636  -4.396   5.259
  150   1HD   ARG  21           HD2      ARG  21   7.008  -4.483   8.213
  151   2HD   ARG  21           HD1      ARG  21   8.583  -4.623   7.432
  152    HE   ARG  21           HE       ARG  21   7.041  -2.100   7.749
  153   1HH1  ARG  21          HH21      ARG  21   8.505  -1.850   5.253
  154   2HH1  ARG  21          HH22      ARG  21  10.080  -1.325   5.747
  155   1HH2  ARG  21          HH11      ARG  21   9.655  -2.283   9.051
  156   2HH2  ARG  21          HH12      ARG  21  10.730  -1.568   7.897
  157    HA   PRO  22           HA       PRO  22   0.609  -2.819   6.622
  158   1HB   PRO  22           HB2      PRO  22   0.101  -1.350   8.923
  159   2HB   PRO  22           HB1      PRO  22  -0.106  -3.117   8.775
  160   1HG   PRO  22           HG2      PRO  22   2.102  -1.552  10.063
  161   2HG   PRO  22           HG1      PRO  22   1.451  -3.141  10.502
  162   1HD   PRO  22           HD2      PRO  22   3.837  -2.794   9.150
  163   2HD   PRO  22           HD1      PRO  22   2.842  -4.263   9.037
  164    H    LEU  23           HN       LEU  23  -0.054  -1.107   5.364
  165    HA   LEU  23           HA       LEU  23   1.301   1.505   5.911
  166   1HB   LEU  23           HB2      LEU  23   0.177   0.436   3.309
  167   2HB   LEU  23           HB1      LEU  23   0.963   2.005   3.531
  168    HG   LEU  23           HG       LEU  23   2.732   0.204   4.689
  169   1HD1  LEU  23          HD11      LEU  23   1.239  -1.020   2.426
  170   2HD1  LEU  23          HD13      LEU  23   2.989  -1.242   2.449
  171   3HD1  LEU  23          HD12      LEU  23   2.012  -1.787   3.813
  172   1HD2  LEU  23          HD23      LEU  23   3.100   2.235   3.224
  173   2HD2  LEU  23          HD22      LEU  23   4.180   0.875   2.917
  174   3HD2  LEU  23          HD21      LEU  23   2.820   1.182   1.837
  175    H    CYS  24           HN       CYS  24  -0.023   3.092   6.563
  176    HA   CYS  24           HA       CYS  24  -2.897   2.590   6.797
  177   1HB   CYS  24           HB2      CYS  24  -1.995   3.877   8.592
  178   2HB   CYS  24           HB1      CYS  24  -1.093   4.902   7.497
  179    H    GLY  25           HN       GLY  25  -4.379   3.126   5.237
  180   1HA   GLY  25           HA2      GLY  25  -3.566   4.244   2.773
  181   2HA   GLY  25           HA1      GLY  25  -5.212   4.160   3.280
  182    H    SER  26           HN       SER  26  -5.435   6.387   2.337
  183    HA   SER  26           HA       SER  26  -4.140   8.495   3.995
  184   1HB   SER  26           HB2      SER  26  -5.455  10.011   2.357
  185   2HB   SER  26           HB1      SER  26  -4.103   9.093   1.701
  186    HG   SER  26           HG       SER  26  -6.612   7.874   1.738
  187    H    ASP  27           HN       ASP  27  -7.176   6.855   3.562
  188    HA   ASP  27           HA       ASP  27  -8.610   8.864   5.209
  189   1HB   ASP  27           HB2      ASP  27 -10.614   7.536   4.664
  190   2HB   ASP  27           HB1      ASP  27  -9.735   7.972   3.196
  191    H    ASN  28           HN       ASN  28  -6.487   6.783   6.106
  192    HA   ASN  28           HA       ASN  28  -6.140   5.782   8.217
  193   1HB   ASN  28           HB2      ASN  28  -8.049   7.329   8.987
  194   2HB   ASN  28           HB1      ASN  28  -9.112   5.947   8.722
  195   1HD2  ASN  28          HD22      ASN  28  -6.873   6.082  12.062
  196   2HD2  ASN  28          HD21      ASN  28  -6.994   7.395  10.993
  197    H    LYS  29           HN       LYS  29  -6.908   4.442   5.659
  198    HA   LYS  29           HA       LYS  29  -8.287   2.015   6.696
  199   1HB   LYS  29           HB2      LYS  29  -8.758   3.244   4.396
  200   2HB   LYS  29           HB1      LYS  29  -7.373   2.292   3.864
  201   1HG   LYS  29           HG2      LYS  29  -9.240   0.905   3.422
  202   2HG   LYS  29           HG1      LYS  29  -8.571   0.277   4.927
  203   1HD   LYS  29           HD2      LYS  29 -10.208   1.779   6.156
  204   2HD   LYS  29           HD1      LYS  29 -10.972   2.088   4.597
  205   1HE   LYS  29           HE2      LYS  29 -10.598  -0.644   5.861
  206   2HE   LYS  29           HE1      LYS  29 -12.115   0.252   5.788
  207   1HZ   LYS  29           HZ2      LYS  29 -11.981   0.209   3.377
  208   2HZ   LYS  29           HZ1      LYS  29 -10.530  -0.669   3.452
  209   3HZ   LYS  29           HZ3      LYS  29 -11.971  -1.368   4.009
  210    H    THR  30           HN       THR  30  -6.535   1.211   7.941
  211    HA   THR  30           HA       THR  30  -3.862   0.902   7.018
  212    HB   THR  30           HB       THR  30  -5.486  -0.558   9.107
  213    HG1  THR  30           HG1      THR  30  -4.849   1.524   9.609
  214   1HG2  THR  30          HG21      THR  30  -2.842  -1.257   7.955
  215   2HG2  THR  30          HG23      THR  30  -2.914  -1.211   9.717
  216   3HG2  THR  30          HG22      THR  30  -3.997  -2.272   8.817
  217    H    TYR  31           HN       TYR  31  -2.891  -0.634   5.785
  218    HA   TYR  31           HA       TYR  31  -4.596  -2.869   4.775
  219   1HB   TYR  31           HB2      TYR  31  -2.630  -1.056   3.442
  220   2HB   TYR  31           HB1      TYR  31  -2.668  -2.734   2.905
  221    HD1  TYR  31           HD1      TYR  31  -4.621   0.382   3.232
  222    HD2  TYR  31           HD2      TYR  31  -4.606  -3.655   1.768
  223    HE1  TYR  31           HE1      TYR  31  -6.670   0.853   1.918
  224    HE2  TYR  31           HE2      TYR  31  -6.657  -3.186   0.453
  225    HH   TYR  31           HH       TYR  31  -8.186  -1.680  -0.088
  226    H    GLY  32           HN       GLY  32  -3.697  -4.955   4.947
  227   1HA   GLY  32           HA2      GLY  32  -2.050  -5.638   6.993
  228   2HA   GLY  32           HA1      GLY  32  -2.072  -6.594   5.526
  229    H    ASN  33           HN       ASN  33  -0.947  -4.662   3.777
  230    HA   ASN  33           HA       ASN  33   1.445  -3.516   4.787
  231   1HB   ASN  33           HB2      ASN  33   2.980  -5.248   3.490
  232   2HB   ASN  33           HB1      ASN  33   2.502  -5.552   5.145
  233   1HD2  ASN  33          HD22      ASN  33   1.585  -8.276   2.447
  234   2HD2  ASN  33          HD21      ASN  33   2.853  -7.153   2.343
  235    H    LYS  34           HN       LYS  34   3.096  -3.764   2.496
  236    HA   LYS  34           HA       LYS  34   1.970  -1.794   0.892
  237   1HB   LYS  34           HB2      LYS  34   3.801  -2.584  -0.735
  238   2HB   LYS  34           HB1      LYS  34   4.298  -1.988   0.836
  239   1HG   LYS  34           HG2      LYS  34   5.282  -3.961   1.274
  240   2HG   LYS  34           HG1      LYS  34   3.740  -4.798   1.051
  241   1HD   LYS  34           HD2      LYS  34   5.143  -5.775  -0.579
  242   2HD   LYS  34           HD1      LYS  34   4.221  -4.578  -1.486
  243   1HE   LYS  34           HE2      LYS  34   7.011  -4.166  -0.367
  244   2HE   LYS  34           HE1      LYS  34   6.617  -4.477  -2.059
  245   1HZ   LYS  34           HZ1      LYS  34   5.189  -2.443  -1.951
  246   2HZ   LYS  34           HZ3      LYS  34   5.873  -2.110  -0.434
  247   3HZ   LYS  34           HZ2      LYS  34   6.857  -2.155  -1.816
  248    H    CYS  35           HN       CYS  35   2.680  -5.035  -0.522
  249    HA   CYS  35           HA       CYS  35   1.256  -4.808  -2.840
  250   1HB   CYS  35           HB2      CYS  35   2.416  -6.864  -2.282
  251   2HB   CYS  35           HB1      CYS  35   1.259  -7.207  -0.996
  252    H    ASN  36           HN       ASN  36  -0.153  -4.997   0.344
  253    HA   ASN  36           HA       ASN  36  -2.861  -5.507  -0.640
  254   1HB   ASN  36           HB2      ASN  36  -2.456  -4.409   2.090
  255   2HB   ASN  36           HB1      ASN  36  -3.445  -5.770   1.558
  256   1HD2  ASN  36          HD22      ASN  36  -0.878  -8.145   2.035
  257   2HD2  ASN  36          HD21      ASN  36  -2.455  -7.867   1.517
  258    H    PHE  37           HN       PHE  37  -1.066  -2.737   0.670
  259    HA   PHE  37           HA       PHE  37  -3.245  -0.865   0.560
  260   1HB   PHE  37           HB2      PHE  37  -1.207  -0.516   1.894
  261   2HB   PHE  37           HB1      PHE  37  -0.269  -0.310   0.563
  262    HD1  PHE  37           HD1      PHE  37  -3.638   0.994   1.414
  263    HD2  PHE  37           HD2      PHE  37   0.356   1.764   0.139
  264    HE1  PHE  37           HE1      PHE  37  -4.224   3.393   1.061
  265    HE2  PHE  37           HE2      PHE  37  -0.191   4.148  -0.221
  266    HZ   PHE  37           HZ       PHE  37  -2.493   4.977   0.236
  267    H    CYS  38           HN       CYS  38  -0.544  -1.532  -1.500
  268    HA   CYS  38           HA       CYS  38  -1.181   0.506  -3.428
  269   1HB   CYS  38           HB2      CYS  38   1.110  -0.265  -3.276
  270   2HB   CYS  38           HB1      CYS  38   0.630  -1.911  -3.695
  271    H    ASN  39           HN       ASN  39  -1.421  -3.102  -3.684
  272    HA   ASN  39           HA       ASN  39  -2.629  -3.281  -6.172
  273   1HB   ASN  39           HB2      ASN  39  -3.270  -4.766  -3.607
  274   2HB   ASN  39           HB1      ASN  39  -4.068  -5.162  -5.130
  275   1HD2  ASN  39          HD22      ASN  39  -1.206  -7.402  -5.200
  276   2HD2  ASN  39          HD21      ASN  39  -2.761  -7.297  -4.530
  277    H    ALA  40           HN       ALA  40  -4.071  -2.129  -3.171
  278    HA   ALA  40           HA       ALA  40  -6.758  -1.874  -4.199
  279   1HB   ALA  40           HB3      ALA  40  -5.895  -1.766  -1.727
  280   2HB   ALA  40           HB2      ALA  40  -5.573  -0.070  -2.086
  281   3HB   ALA  40           HB1      ALA  40  -7.218  -0.697  -2.198
  282    H    VAL  41           HN       VAL  41  -4.048   0.380  -3.778
  283    HA   VAL  41           HA       VAL  41  -5.136   2.707  -4.896
  284    HB   VAL  41           HB       VAL  41  -2.333   1.572  -5.077
  285   1HG1  VAL  41          HG11      VAL  41  -3.405   4.302  -5.828
  286   2HG1  VAL  41          HG13      VAL  41  -1.694   3.967  -5.563
  287   3HG1  VAL  41          HG12      VAL  41  -2.558   3.160  -6.871
  288   1HG2  VAL  41          HG22      VAL  41  -3.866   2.789  -2.986
  289   2HG2  VAL  41          HG21      VAL  41  -2.187   2.252  -2.939
  290   3HG2  VAL  41          HG23      VAL  41  -2.572   3.898  -3.442
  291    H    VAL  42           HN       VAL  42  -3.180   0.283  -6.664
  292    HA   VAL  42           HA       VAL  42  -3.704   1.365  -9.232
  293    HB   VAL  42           HB       VAL  42  -1.801   0.012  -9.101
  294   1HG1  VAL  42          HG12      VAL  42  -3.486  -1.673  -7.358
  295   2HG1  VAL  42          HG11      VAL  42  -2.277  -2.516  -8.328
  296   3HG1  VAL  42          HG13      VAL  42  -1.782  -1.239  -7.216
  297   1HG2  VAL  42          HG22      VAL  42  -3.701  -0.643 -10.905
  298   2HG2  VAL  42          HG21      VAL  42  -2.105  -1.391 -10.864
  299   3HG2  VAL  42          HG23      VAL  42  -3.478  -2.201 -10.108
  300    H    GLU  43           HN       GLU  43  -5.646  -0.721  -7.206
  301    HA   GLU  43           HA       GLU  43  -7.283  -1.570  -9.528
  302   1HB   GLU  43           HB2      GLU  43  -6.692  -2.909  -7.244
  303   2HB   GLU  43           HB1      GLU  43  -8.212  -2.174  -6.777
  304   1HG   GLU  43           HG2      GLU  43  -7.991  -3.531  -9.442
  305   2HG   GLU  43           HG1      GLU  43  -8.236  -4.498  -7.986
  306    H    SER  44           HN       SER  44  -7.042   1.131  -7.657
  307    HA   SER  44           HA       SER  44  -9.982   1.665  -7.863
  308   1HB   SER  44           HB2      SER  44  -9.476   3.376  -6.001
  309   2HB   SER  44           HB1      SER  44  -9.467   1.676  -5.547
  310    HG   SER  44           HG       SER  44  -7.589   2.425  -4.763
  311    H    ASN  45           HN       ASN  45  -7.975   2.132  -9.950
  312    HA   ASN  45           HA       ASN  45  -7.322   3.796 -11.440
  313   1HB   ASN  45           HB2      ASN  45  -8.821   5.529 -11.869
  314   2HB   ASN  45           HB1      ASN  45  -9.871   4.314 -11.170
  315   1HD2  ASN  45          HD22      ASN  45 -10.887   6.498  -8.611
  316   2HD2  ASN  45          HD21      ASN  45 -11.222   5.138  -9.570
  317    H    GLY  46           HN       GLY  46  -6.356   3.682  -8.545
  318   1HA   GLY  46           HA2      GLY  46  -4.711   4.776  -7.309
  319   2HA   GLY  46           HA1      GLY  46  -4.386   5.742  -8.741
  320    H    THR  47           HN       THR  47  -7.549   5.671  -7.241
  321    HA   THR  47           HA       THR  47  -7.347   8.568  -6.737
  322    HB   THR  47           HB       THR  47  -9.423   7.600  -7.727
  323    HG1  THR  47           HG1      THR  47 -10.334   9.192  -6.747
  324   1HG2  THR  47          HG23      THR  47  -9.038   5.586  -5.893
  325   2HG2  THR  47          HG22      THR  47 -10.359   6.503  -5.168
  326   3HG2  THR  47          HG21      THR  47 -10.526   5.854  -6.800
  327    H    LEU  48           HN       LEU  48  -7.015   5.595  -5.050
  328    HA   LEU  48           HA       LEU  48  -7.600   6.677  -2.406
  329   1HB   LEU  48           HB2      LEU  48  -8.004   4.356  -2.591
  330   2HB   LEU  48           HB1      LEU  48  -6.514   4.077  -3.489
  331    HG   LEU  48           HG       LEU  48  -5.227   4.711  -1.429
  332   1HD1  LEU  48          HD12      LEU  48  -8.029   4.971  -0.413
  333   2HD1  LEU  48          HD11      LEU  48  -6.758   4.449   0.693
  334   3HD1  LEU  48          HD13      LEU  48  -6.633   6.009  -0.120
  335   1HD2  LEU  48          HD21      LEU  48  -6.144   2.314  -2.117
  336   2HD2  LEU  48          HD23      LEU  48  -5.326   2.556  -0.573
  337   3HD2  LEU  48          HD22      LEU  48  -7.088   2.502  -0.639
  338    H    THR  49           HN       THR  49  -6.132   7.766  -1.171
  339    HA   THR  49           HA       THR  49  -3.274   7.705  -2.055
  340    HB   THR  49           HB       THR  49  -3.173   9.909  -0.720
  341    HG1  THR  49           HG1      THR  49  -5.351  10.892  -0.740
  342   1HG2  THR  49          HG23      THR  49  -3.312   9.608  -3.267
  343   2HG2  THR  49          HG22      THR  49  -5.024   9.996  -3.103
  344   3HG2  THR  49          HG21      THR  49  -3.803  11.175  -2.626
  345    H    LEU  50           HN       LEU  50  -1.761   8.175  -0.095
  346    HA   LEU  50           HA       LEU  50  -2.633   6.427   2.131
  347   1HB   LEU  50           HB2      LEU  50  -0.745   5.626   0.829
  348   2HB   LEU  50           HB1      LEU  50   0.053   7.178   0.946
  349    HG   LEU  50           HG       LEU  50  -0.299   6.503   3.584
  350   1HD1  LEU  50          HD12      LEU  50  -0.985   4.227   2.399
  351   2HD1  LEU  50          HD11      LEU  50   0.767   4.021   2.352
  352   3HD1  LEU  50          HD13      LEU  50  -0.054   4.240   3.897
  353   1HD2  LEU  50          HD23      LEU  50   1.737   7.212   1.974
  354   2HD2  LEU  50          HD22      LEU  50   2.002   6.607   3.606
  355   3HD2  LEU  50          HD21      LEU  50   2.155   5.520   2.226
  356    H    SER  51           HN       SER  51  -1.870   7.057   4.299
  357    HA   SER  51           HA       SER  51  -1.584  10.004   4.550
  358   1HB   SER  51           HB2      SER  51  -3.283   8.119   5.985
  359   2HB   SER  51           HB1      SER  51  -2.153   8.847   7.050
  360    HG   SER  51           HG       SER  51  -4.140  10.039   6.712
  361    H    HIS  52           HN       HIS  52  -0.363   6.823   5.404
  362    HA   HIS  52           HA       HIS  52   2.333   7.653   5.661
  363   1HB   HIS  52           HB2      HIS  52   2.665   7.770   8.061
  364   2HB   HIS  52           HB1      HIS  52   1.322   8.855   7.693
  365    HD1  HIS  52           HD1      HIS  52   2.182   6.173   9.922
  366    HD2  HIS  52           HD2      HIS  52  -1.316   7.245   7.913
  367    HE1  HIS  52           HE1      HIS  52   0.284   4.926  11.057
  368    H    PHE  53           HN       PHE  53   3.668   5.812   5.908
  369    HA   PHE  53           HA       PHE  53   2.623   3.222   5.534
  370   1HB   PHE  53           HB2      PHE  53   5.219   4.278   6.601
  371   2HB   PHE  53           HB1      PHE  53   4.888   2.549   6.727
  372    HD1  PHE  53           HD2      PHE  53   3.828   4.962   4.103
  373    HD2  PHE  53           HD1      PHE  53   6.259   1.561   5.078
  374    HE1  PHE  53           HE2      PHE  53   4.390   4.684   1.718
  375    HE2  PHE  53           HE1      PHE  53   6.825   1.277   2.680
  376    HZ   PHE  53           HZ       PHE  53   5.889   2.837   0.999
  377    H    GLY  54           HN       GLY  54   3.476   1.489   7.434
  378   1HA   GLY  54           HA2      GLY  54   3.053   0.578   9.514
  379   2HA   GLY  54           HA1      GLY  54   2.832   2.200  10.119
  380    H    LYS  55           HN       LYS  55   1.213   0.616  11.170
  381    HA   LYS  55           HA       LYS  55  -1.323   0.449   9.661
  382   1HB   LYS  55           HB2      LYS  55  -1.943  -0.348  12.222
  383   2HB   LYS  55           HB1      LYS  55  -1.451  -1.443  10.933
  384   1HG   LYS  55           HG2      LYS  55   0.820  -1.442  11.688
  385   2HG   LYS  55           HG1      LYS  55   0.539  -0.064  12.752
  386   1HD   LYS  55           HD2      LYS  55  -1.336  -1.893  13.628
  387   2HD   LYS  55           HD1      LYS  55   0.049  -2.914  13.232
  388   1HE   LYS  55           HE2      LYS  55   0.736  -2.322  15.332
  389   2HE   LYS  55           HE1      LYS  55   1.315  -0.878  14.501
  390   1HZ   LYS  55           HZ1      LYS  55  -1.447  -1.012  15.523
  391   2HZ   LYS  55           HZ3      LYS  55  -0.168  -0.603  16.559
  392   3HZ   LYS  55           HZ2      LYS  55  -0.493   0.354  15.194
  393    H    CYS  56           HN       CYS  56  -2.530   2.266   9.613
  394    HA   CYS  56           HA       CYS  56  -2.247   4.573  11.127
  395   1HB   CYS  56           HB2      CYS  56  -4.228   3.488   9.374
  396   2HB   CYS  56           HB1      CYS  56  -5.053   4.173  10.775
   
  No H/Q in entry =         396