*HEADER   SERINE PROTEINASE INHIBITOR             11-OCT-95   1OMT    
*TITLE    SOLUTION STRUCTURE OF OVOMUCOID (THIRD DOMAIN) FROM         
*TITLE   2 DOMESTIC TURKEY (298K, PH 4.1) (NMR, 50 STRUCTURES)        
*TITLE   3 (STANDARD NOESY ANALYSIS)                                  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: OVOMUCOID (THIRD DOMAIN);                        
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: OMTKY3                                            
*SOURCE    MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: MELEAGRIS GALLOPAVO;                  
*SOURCE  3 ORGANISM_COMMON: COMMON TURKEY;                            
*SOURCE  4 CELLULAR_LOCATION: EGG WHITE                               
*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 1OMT    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 4.05 -0.64
assign (resid 45 and name Hn  ) (resid 45 and name Hb2 ) 1.90 3.81  0.16
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 4.97  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 7.86  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 3.81 -0.40
assign (resid 51 and name Hn  ) (resid 51 and name Hb2 ) 1.90 3.81  0.40
assign (resid 52 and name Hn  ) (resid 51 and name Hb1 ) 1.90 3.58 -0.17
assign (resid 52 and name Hn  ) (resid 51 and name Hb2 ) 1.90 3.81  0.63
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 4.05 -0.64
assign (resid 31 and name Hn  ) (resid 31 and name Hb2 ) 1.90 3.81  0.16
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 4.86 -1.70
assign (resid 23 and name Hn  ) (resid 37 and name Hb2 ) 1.90 6.56  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 4.05 -0.64
assign (resid 28 and name Hn  ) (resid 28 and name Hb2 ) 1.90 3.81  0.16
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 3.58 -0.17
assign (resid 29 and name Hn  ) (resid 29 and name Hb2 ) 1.90 3.81  0.63
assign (resid 30 and name Hn  ) (resid 29 and name Hb1 ) 1.90 4.30 -0.65
assign (resid 30 and name Hn  ) (resid 29 and name Hb2 ) 1.90 4.05  0.15
assign (resid 55 and name Hn  ) (resid 55 and name Hb1 ) 1.90 3.81 -0.84
assign (resid 55 and name Hn  ) (resid 55 and name Hb2 ) 1.90 3.37 -0.04
assign (resid 56 and name Hn  ) (resid 55 and name Hb1 ) 1.90 3.81 -0.40
assign (resid 56 and name Hn  ) (resid 55 and name Hb2 ) 1.90 3.81  0.40
assign (resid 18 and name Hn  ) (resid 18 and name Hb1 ) 1.90 3.81 -0.84
assign (resid 18 and name Hn  ) (resid 18 and name Hb2 ) 1.90 3.37 -0.04
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 3.58 -0.30
assign (resid 55 and name Hn  ) (resid 54 and name Ha2 ) 1.90 3.58  0.30
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 4.57 -1.70
assign (resid 32 and name Hn  ) (resid 36 and name Hb2 ) 1.90 6.27  1.70
assign (resid 36 and name Hn  ) (resid 36 and name Hb1 ) 1.90 3.37 -1.70
assign (resid 36 and name Hn  ) (resid 36 and name Hb2 ) 1.90 5.07  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 3.58 -0.51
assign (resid 43 and name Hn  ) (resid 43 and name Hb2 ) 1.90 3.37  0.09
assign (resid 44 and name Hn  ) (resid 43 and name Hb1 ) 1.90 4.05 -0.40
assign (resid 44 and name Hn  ) (resid 43 and name Hb2 ) 1.90 4.05  0.40
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 3.81 -1.70
assign (resid 10 and name Hn  ) (resid 10 and name Hb2 ) 1.90 5.51  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 4.05 -1.70
assign (resid 19 and name Hn  ) (resid 19 and name Hg2 ) 1.90 5.75  1.70
assign (resid 20 and name Hn  ) (resid 19 and name Hg1 ) 1.90 4.86 -0.79
assign (resid 20 and name Hn  ) (resid 19 and name Hg2 ) 1.90 4.57  0.21
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 4.05  0.02
assign (resid 29 and name Hn  ) (resid 29 and name Hg2 ) 1.90 4.57  1.02
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 6.00 -1.70
assign (resid 30 and name Hn  ) (resid 29 and name Hg2 ) 1.90 4.30  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 3.81 -0.16
assign (resid 26 and name Hn  ) (resid 26 and name Hb2 ) 1.90 4.05  0.64
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 4.86 -1.70
assign (resid 34 and name Hn  ) (resid 34 and name Hg2 ) 1.90 6.56  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  ) 2.81 0.91 0.00
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  ) 4.16 2.26 1.54
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  ) 4.79 2.89 1.54
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  ) 2.64 0.74 0.00
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  ) 4.05 2.15 0.00
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 ) 3.58 1.68 0.00
assign (resid  7 and name Hn  ) (resid  7 and name Hb2 ) 3.58 1.68 0.00
assign (resid  8 and name Hn  ) (resid  8 and name Hb2 ) 3.81 1.91 0.00
assign (resid  8 and name Hn  ) (resid  8 and name Hb1 ) 3.81 1.91 0.00
assign (resid  8 and name Hn  ) (resid  9 and name Hn  ) 3.81 1.91 0.00
assign (resid  8 and name Ha  ) (resid 10 and name Hn  ) 4.30 2.40 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  ) 4.86 2.96 0.00
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  ) 3.37 1.47 0.00
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* ) 3.37 1.47 0.88
assign (resid 10 and name Hn  ) (resid 11 and name Hn  ) 3.58 1.68 0.00
assign (resid 10 and name Hn  ) (resid 11 and name Hd2 ) 3.58 1.68 0.00
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  ) 4.05 2.15 0.00
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  ) 4.30 2.40 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  ) 3.81 1.91 0.00
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  ) 4.05 2.15 0.00
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) 4.30 2.40 0.00
assign (resid 13 and name Hn  ) (resid 39 and name Hd22) 3.81 1.91 0.00
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  ) 3.98 2.08 0.00
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  ) 2.81 0.91 0.00
assign (resid 16 and name Hn  ) (resid 16 and name Hb1 ) 3.81 1.91 0.00
assign (resid 16 and name Hn  ) (resid 16 and name Hb2 ) 3.37 1.47 0.00
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  ) 2.99 1.09 0.00
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  ) 3.58 1.68 0.00
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  ) 4.05 2.15 0.00
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  ) 3.98 2.08 0.00
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  ) 4.79 2.89 0.00
assign (resid 17 and name Hg2*) (resid 19 and name Hn  ) 5.03 3.13 0.00
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  ) 2.99 1.09 0.00
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  ) 3.37 1.47 0.00
assign (resid 17 and name Hb  ) (resid 19 and name Hn  ) 4.05 2.15 0.00
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  ) 3.58 1.68 0.00
assign (resid 18 and name Ha  ) (resid 19 and name Hn  ) 3.58 1.68 0.00
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  ) 4.30 2.40 0.00
assign (resid 19 and name Ha  ) (resid 20 and name Hn  ) 2.64 0.74 0.00
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 ) 3.37 1.47 0.00
assign (resid 20 and name Hn  ) (resid 20 and name Hb1 ) 3.37 1.47 0.00
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  ) 2.99 1.09 0.00
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  ) 4.05 2.15 0.00
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  ) 4.30 2.40 0.00
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  ) 3.58 1.68 0.00
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* ) 4.30 2.40 0.88
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 ) 4.05 2.15 0.00
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  ) 2.99 1.09 0.00
assign (resid 22 and name Hb2 ) (resid 23 and name Hn  ) 3.81 1.91 0.00
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  ) 5.28 3.38 0.00
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  ) 4.57 2.67 0.00
assign (resid 23 and name Hd1*) (resid 34 and name Ha  ) 4.36 2.46 0.00
assign (resid 23 and name Hd1*) (resid 34 and name Hb2 ) 5.55 3.65 0.00
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
assign (resid 23 and name Hd1*) (resid 37 and name Hd2 ) 5.03 3.13 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
assign (resid 23 and name Hd2*) (resid 50 and name Hd2*) 6.88 4.98 0.00
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
assign (resid 23 and name Hd2*) (resid 53 and name Hb1 ) 6.46 4.56 0.00
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  ) 4.79 2.89 0.00
assign (resid 23 and name Hn  ) (resid 23 and name Hg  ) 4.05 2.15 0.00
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  ) 4.05 2.15 0.00
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  ) 4.57 2.67 0.88
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 ) 3.81 1.91 0.00
assign (resid 24 and name Hn  ) (resid 24 and name Hb1 ) 3.81 1.91 0.00
assign (resid 24 and name Hn  ) (resid 50 and name Hd1*) 4.57 2.67 0.00
assign (resid 24 and name Hn  ) (resid 52 and name Hn  ) 4.05 2.15 0.00
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
assign (resid 24 and name Hb2 ) (resid 52 and name Hd2 ) 4.57 2.67 0.00
assign (resid 24 and name Hb2 ) (resid 52 and name He1 ) 4.30 2.40 0.00
assign (resid 24 and name Hb2 ) (resid 56 and name Hn  ) 4.30 2.40 0.00
assign (resid 24 and name Hb1 ) (resid 25 and name Hn  ) 4.57 2.67 0.00
assign (resid 24 and name Hb1 ) (resid 30 and name Ha  ) 4.86 2.96 0.00
assign (resid 24 and name Hb1 ) (resid 52 and name Hn  ) 4.30 2.40 0.00
assign (resid 24 and name Hb1 ) (resid 52 and name He1 ) 4.05 2.15 0.00
assign (resid 24 and name Hb1 ) (resid 55 and name Ha  ) 5.16 3.26 0.00
assign (resid 24 and name Hb1 ) (resid 56 and name Hn  ) 4.86 2.96 0.00
assign (resid 24 and name Hb1 ) (resid 56 and name Ha  ) 3.81 1.91 0.00
assign (resid 25 and name Hn  ) (resid 28 and name Ha  ) 4.57 2.67 0.00
assign (resid 25 and name Hn  ) (resid 29 and name Hn  ) 4.30 2.40 0.00
assign (resid 25 and name Hn  ) (resid 31 and name Hd1 ) 4.05 2.15 0.00
assign (resid 26 and name Hn  ) (resid 27 and name Hn  ) 3.81 1.91 0.00
assign (resid 26 and name Hn  ) (resid 28 and name Hn  ) 4.86 2.96 0.00
assign (resid 26 and name Hn  ) (resid 48 and name Hd1*) 4.57 2.67 0.00
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 Hn  ) (resid 51 and name Hn  ) 4.86 2.96 0.00
assign (resid 26 and name Ha  ) (resid 28 and name Hn  ) 4.05 2.15 0.00
assign (resid 27 and name Hn  ) (resid 27 and name Hb1 ) 4.05 2.15 0.00
assign (resid 27 and name Hn  ) (resid 28 and name Hn  ) 3.37 1.47 0.00
assign (resid 27 and name Hn  ) (resid 29 and name Hn  ) 4.57 2.67 0.00
assign (resid 27 and name Hn  ) (resid 48 and name Hd1*) 4.36 2.46 0.00
assign (resid 27 and name Ha  ) (resid 27 and name Hb1 ) 3.17 1.27 0.00
assign (resid 27 and name Ha  ) (resid 27 and name Hb2 ) 3.17 1.27 0.00
assign (resid 27 and name Hb1 ) (resid 48 and name Hd1*) 5.55 3.65 0.00
assign (resid 27 and name Hb2 ) (resid 28 and name Hn  ) 4.57 2.67 0.00
assign (resid 27 and name Hb2 ) (resid 48 and name Hd1*) 6.46 4.56 0.00
assign (resid 28 and name Hn  ) (resid 28 and name Ha  ) 2.81 0.91 0.00
assign (resid 28 and name Hn  ) (resid 29 and name Hn  ) 3.17 1.27 0.00
assign (resid 28 and name Hn  ) (resid 48 and name Hd1*) 5.28 3.38 0.00
assign (resid 29 and name Ha  ) (resid 30 and name Hn  ) 2.99 1.09 0.00
assign (resid 30 and name Hg2*) (resid 30 and name Hn  ) 5.03 3.13 0.00
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assign (resid 30 and name Hg2*) (resid 55 and name Hn  ) 5.28 3.38 0.00
assign (resid 30 and name Hg2*) (resid 55 and name Ha  ) 3.98 2.08 0.00
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assign (resid 30 and name Hn  ) (resid 30 and name Hb  ) 3.37 1.47 0.00
assign (resid 31 and name Hn  ) (resid 31 and name Hd1 ) 4.86 2.96 0.00
assign (resid 31 and name Ha  ) (resid 31 and name Hd2 ) 4.05 2.15 0.00
assign (resid 31 and name Ha  ) (resid 32 and name Hn  ) 3.17 1.27 0.00
assign (resid 31 and name Ha  ) (resid 33 and name Hn  ) 4.30 2.40 0.00
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assign (resid 31 and name Hd2 ) (resid 40 and name Hb* ) 5.84 3.94 0.00
assign (resid 31 and name He1 ) (resid 48 and name Hd1*) 6.46 4.56 0.00
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assign (resid 31 and name He2 ) (resid 40 and name Hb* ) 6.14 4.24 0.00
assign (resid 32 and name Hn  ) (resid 33 and name Hn  ) 3.58 1.68 0.00
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 ) 3.58 1.68 0.00
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) 4.30 2.40 0.00
assign (resid 33 and name Hb1 ) (resid 33 and name Hd22) 4.05 2.15 0.00
assign (resid 33 and name Hb1 ) (resid 34 and name Hn  ) 3.37 1.47 0.00
assign (resid 33 and name Hb2 ) (resid 33 and name Hd21) 3.58 1.68 0.00
assign (resid 33 and name Hb2 ) (resid 33 and name Hd22) 3.81 1.91 0.00
assign (resid 33 and name Hb2 ) (resid 34 and name Hn  ) 3.81 1.91 0.00
assign (resid 33 and name Hd21) (resid 34 and name Hn  ) 4.30 2.40 0.00
assign (resid 33 and name Hd22) (resid 34 and name Hn  ) 4.86 2.96 0.00
assign (resid 33 and name Hd22) (resid 36 and name Hn  ) 4.57 2.67 0.00
assign (resid 33 and name Hd22) (resid 36 and name Hd21) 4.05 2.15 0.00
assign (resid 33 and name Hd22) (resid 36 and name Hd22) 4.30 2.40 0.00
assign (resid 34 and name Hn  ) (resid 34 and name Hb2 ) 3.58 1.68 0.00
assign (resid 34 and name Hn  ) (resid 34 and name Hb1 ) 3.58 1.68 0.00
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  ) 3.58 1.68 0.00
assign (resid 34 and name Ha  ) (resid 37 and name Hn  ) 3.58 1.68 0.00
assign (resid 34 and name Ha  ) (resid 37 and name Hd2 ) 4.05 2.15 0.00
assign (resid 34 and name Ha  ) (resid 38 and name Hn  ) 4.05 2.15 0.00
assign (resid 35 and name Hn  ) (resid 35 and name Hb1 ) 3.37 1.47 0.00
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assign (resid 35 and name Hn  ) (resid 36 and name Hn  ) 3.17 1.27 0.00
assign (resid 35 and name Hb2 ) (resid 36 and name Hn  ) 3.58 1.68 0.00
assign (resid 36 and name Hn  ) (resid 36 and name Hd21) 3.58 1.68 0.00
assign (resid 36 and name Hn  ) (resid 36 and name Hd22) 4.05 2.15 0.00
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assign (resid 36 and name Ha  ) (resid 39 and name Hn  ) 4.30 2.40 0.00
assign (resid 36 and name Ha  ) (resid 39 and name Hb2 ) 4.30 2.40 0.00
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assign (resid 37 and name Hn  ) (resid 38 and name Hn  ) 3.37 1.47 0.00
assign (resid 37 and name Ha  ) (resid 37 and name Hd1 ) 3.37 1.47 0.00
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  ) 4.57 2.67 0.00
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assign (resid 37 and name Hz  ) (resid 50 and name Hn  ) 3.81 1.91 0.00
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
assign (resid 37 and name Hz  ) (resid 50 and name Hb1 ) 4.57 2.67 0.00
assign (resid 38 and name Hn  ) (resid 38 and name Hb1 ) 3.58 1.68 0.00
assign (resid 38 and name Hn  ) (resid 38 and name Hb2 ) 3.37 1.47 0.00
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assign (resid 38 and name Hn  ) (resid 41 and name Hg2*) 5.28 3.38 0.00
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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  ) 3.37 1.47 0.00
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  ) 4.30 2.40 0.00
assign (resid 38 and name Hb2 ) (resid 39 and name Hn  ) 4.57 2.67 0.00
assign (resid 39 and name Hn  ) (resid 39 and name Hb2 ) 3.37 1.47 0.00
assign (resid 39 and name Hn  ) (resid 39 and name Hb1 ) 3.37 1.47 0.00
assign (resid 39 and name Hn  ) (resid 39 and name Hd21) 4.05 2.15 0.00
assign (resid 39 and name Hn  ) (resid 39 and name Hd22) 4.30 2.40 0.00
assign (resid 39 and name Hn  ) (resid 40 and name Hn  ) 3.17 1.27 0.00
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  ) 4.86 2.96 0.00
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  ) 3.81 1.91 0.00
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  ) 4.30 2.40 0.00
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  ) 4.36 2.46 0.00
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  ) 5.84 3.94 0.00
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*) 5.03 3.13 0.00
assign (resid 40 and name Hn  ) (resid 41 and name Hn  ) 3.17 1.27 0.00
assign (resid 40 and name Hn  ) (resid 42 and name Hn  ) 4.86 2.96 0.00
assign (resid 40 and name Ha  ) (resid 43 and name Hn  ) 3.58 1.68 0.00
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  ) 4.57 2.67 0.00
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  ) 4.57 2.67 0.00
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  ) 4.79 2.89 0.00
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  ) 5.28 3.38 0.00
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  ) 3.98 2.08 0.00
assign (resid 41 and name Hg2*) (resid 42 and name Hn  ) 4.79 2.89 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  ) 5.28 3.38 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  ) 3.17 1.27 0.00
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  ) 3.37 1.47 0.00
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*) 4.57 2.67 0.00
assign (resid 41 and name Ha  ) (resid 44 and name Hn  ) 4.30 2.40 0.00
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  ) 4.30 2.40 0.00
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  ) 3.37 1.47 0.00
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  ) 4.05 2.15 0.00
assign (resid 42 and name Ha  ) (resid 46 and name Hn  ) 4.05 2.15 0.00
assign (resid 43 and name Hn  ) (resid 43 and name Hg* ) 3.37 1.47 0.88
assign (resid 43 and name Hn  ) (resid 44 and name Hn  ) 3.17 1.27 0.00
assign (resid 43 and name Hn  ) (resid 44 and name Ha  ) 4.86 2.96 0.00
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  ) 4.05 2.15 0.00
assign (resid 43 and name Hg* ) (resid 44 and name Hn  ) 4.30 2.40 0.88
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  ) 3.58 1.68 0.00
assign (resid 44 and name Hn  ) (resid 48 and name Hd2*) 5.84 3.94 0.00
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  ) 4.30 2.40 0.00
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  ) 2.81 0.91 0.00
assign (resid 45 and name Hn  ) (resid 46 and name Hn  ) 3.37 1.47 0.00
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  ) 3.17 1.27 0.00
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*) 5.55 3.65 0.00
assign (resid 46 and name Hn  ) (resid 47 and name Hn  ) 3.58 1.68 0.00
assign (resid 46 and name Hn  ) (resid 48 and name Hn  ) 4.57 2.67 0.00
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  ) 4.79 2.89 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 ) 3.58 1.68 0.00
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  ) 4.57 2.67 0.00
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  ) 3.58 1.68 0.00
assign (resid 49 and name Hb  ) (resid 50 and name Hn  ) 3.17 1.27 0.00
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  ) 4.36 2.46 0.00
assign (resid 50 and name Hd1*) (resid 52 and name Hn  ) 4.36 2.46 0.00
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 ) 3.58 1.68 0.00
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  ) 3.37 1.47 0.00
assign (resid 50 and name Hg  ) (resid 51 and name Hn  ) 4.30 2.40 0.00
assign (resid 50 and name Hg  ) (resid 52 and name Hn  ) 3.58 1.68 0.00
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  ) 3.37 1.47 0.00
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  ) 3.17 1.27 0.00
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  ) 3.81 1.91 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 ) 3.37 1.47 0.00
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 ) 3.37 1.47 0.00
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  ) 4.57 2.67 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  ) 3.37 1.47 0.00
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  ) 4.30 2.40 0.00
assign (resid 53 and name Hb1 ) (resid 54 and name Hn  ) 3.81 1.91 0.00
assign (resid 53 and name Hd1 ) (resid 54 and name Hn  ) 4.05 2.15 0.00
assign (resid 54 and name Hn  ) (resid 55 and name Hn  ) 4.57 2.67 0.00
assign (resid 55 and name Ha  ) (resid 56 and name Hn  ) 2.99 1.09 0.00
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           HT1      LEU   1  11.480   9.766  -6.745
    2   2H    LEU   1           HT3      LEU   1  10.349   9.904  -8.001
    3   3H    LEU   1           HT2      LEU   1  10.783  11.275  -7.096
    4    HA   LEU   1           HA       LEU   1   8.831  10.802  -6.069
    5   1HB   LEU   1           HB2      LEU   1   8.836   8.602  -7.612
    6   2HB   LEU   1           HB1      LEU   1   9.185   7.842  -6.059
    7    HG   LEU   1           HG       LEU   1   6.800   7.872  -6.261
    8   1HD1  LEU   1          HD13      LEU   1   7.730  10.201  -4.555
    9   2HD1  LEU   1          HD12      LEU   1   6.143   9.443  -4.432
   10   3HD1  LEU   1          HD11      LEU   1   7.595   8.519  -4.046
   11   1HD2  LEU   1          HD22      LEU   1   7.062   9.850  -8.025
   12   2HD2  LEU   1          HD21      LEU   1   5.552   9.619  -7.145
   13   3HD2  LEU   1          HD23      LEU   1   6.702  10.846  -6.615
   14    H    ALA   2           HN       ALA   2  10.780  11.601  -4.605
   15    HA   ALA   2           HA       ALA   2  11.418   9.540  -2.551
   16   1HB   ALA   2           HB1      ALA   2  12.798  11.872  -3.625
   17   2HB   ALA   2           HB3      ALA   2  12.724  11.914  -1.863
   18   3HB   ALA   2           HB2      ALA   2  13.444  10.528  -2.683
   19    H    ALA   3           HN       ALA   3   8.881  10.003  -2.199
   20    HA   ALA   3           HA       ALA   3   8.682  12.169  -0.140
   21   1HB   ALA   3           HB3      ALA   3   6.909  11.357  -2.341
   22   2HB   ALA   3           HB2      ALA   3   6.083  11.524  -0.792
   23   3HB   ALA   3           HB1      ALA   3   6.983  12.885  -1.462
   24    H    VAL   4           HN       VAL   4   6.332  11.370   1.084
   25    HA   VAL   4           HA       VAL   4   7.238   8.900   2.457
   26    HB   VAL   4           HB       VAL   4   5.014  10.817   3.216
   27   1HG1  VAL   4          HG13      VAL   4   6.141   8.326   4.356
   28   2HG1  VAL   4          HG12      VAL   4   5.900   9.639   5.508
   29   3HG1  VAL   4          HG11      VAL   4   4.539   9.034   4.563
   30   1HG2  VAL   4          HG21      VAL   4   7.968  10.814   3.691
   31   2HG2  VAL   4          HG23      VAL   4   6.872  12.177   3.461
   32   3HG2  VAL   4          HG22      VAL   4   6.919  11.336   5.010
   33    H    SER   5           HN       SER   5   6.492   7.775   0.357
   34    HA   SER   5           HA       SER   5   3.932   6.509   0.884
   35   1HB   SER   5           HB2      SER   5   3.615   7.385  -1.806
   36   2HB   SER   5           HB1      SER   5   2.599   7.769  -0.419
   37    HG   SER   5           HG       SER   5   3.327   9.716  -0.860
   38    H    VAL   6           HN       VAL   6   3.514   4.784  -0.821
   39    HA   VAL   6           HA       VAL   6   6.135   3.751  -1.749
   40    HB   VAL   6           HB       VAL   6   4.490   2.362  -0.337
   41   1HG1  VAL   6          HG13      VAL   6   2.677   3.135  -2.234
   42   2HG1  VAL   6          HG12      VAL   6   3.138   1.541  -2.833
   43   3HG1  VAL   6          HG11      VAL   6   2.485   1.716  -1.204
   44   1HG2  VAL   6          HG23      VAL   6   6.420   1.648  -2.082
   45   2HG2  VAL   6          HG22      VAL   6   5.454   0.463  -1.203
   46   3HG2  VAL   6          HG21      VAL   6   5.036   0.885  -2.864
   47    H    ASP   7           HN       ASP   7   6.294   2.845  -3.933
   48    HA   ASP   7           HA       ASP   7   4.827   4.502  -5.883
   49   1HB   ASP   7           HB2      ASP   7   7.407   3.701  -5.812
   50   2HB   ASP   7           HB1      ASP   7   6.728   2.403  -6.795
   51    H    CYS   8           HN       CYS   8   3.001   3.759  -6.859
   52    HA   CYS   8           HA       CYS   8   2.368   0.872  -6.647
   53   1HB   CYS   8           HB2      CYS   8   0.800   3.356  -7.037
   54   2HB   CYS   8           HB1      CYS   8   0.183   1.907  -7.830
   55    H    SER   9           HN       SER   9   4.312   2.244  -8.634
   56    HA   SER   9           HA       SER   9   3.082   1.893 -11.241
   57   1HB   SER   9           HB2      SER   9   5.437   3.052 -10.273
   58   2HB   SER   9           HB1      SER   9   5.983   1.686 -11.242
   59    HG   SER   9           HG       SER   9   4.238   3.789 -12.015
   60    H    GLU  10           HN       GLU  10   4.551  -0.206  -8.953
   61    HA   GLU  10           HA       GLU  10   4.860  -2.335 -11.022
   62   1HB   GLU  10           HB2      GLU  10   5.843  -2.340  -8.153
   63   2HB   GLU  10           HB1      GLU  10   6.264  -3.495  -9.418
   64   1HG   GLU  10           HG2      GLU  10   8.102  -2.038  -9.433
   65   2HG   GLU  10           HG1      GLU  10   7.090  -1.390 -10.724
   66    H    TYR  11           HN       TYR  11   2.252  -1.617 -10.223
   67    HA   TYR  11           HA       TYR  11   1.410  -4.098  -8.840
   68   1HB   TYR  11           HB2      TYR  11   0.729  -1.238  -8.177
   69   2HB   TYR  11           HB1      TYR  11  -0.400  -2.524  -7.771
   70    HD1  TYR  11           HD1      TYR  11   0.399  -4.444  -6.284
   71    HD2  TYR  11           HD2      TYR  11   2.711  -0.893  -6.949
   72    HE1  TYR  11           HE1      TYR  11   1.793  -4.975  -4.290
   73    HE2  TYR  11           HE2      TYR  11   4.099  -1.417  -4.963
   74    HH   TYR  11           HH       TYR  11   3.418  -4.280  -2.951
   75    HA   PRO  12           HA       PRO  12  -0.682  -4.278  -8.018
   76   1HB   PRO  12           HB2      PRO  12  -2.693  -6.101  -8.457
   77   2HB   PRO  12           HB1      PRO  12  -2.990  -4.384  -8.150
   78   1HG   PRO  12           HG2      PRO  12  -3.295  -5.885 -10.676
   79   2HG   PRO  12           HG1      PRO  12  -3.953  -4.302 -10.234
   80   1HD   PRO  12           HD2      PRO  12  -1.623  -4.867 -11.833
   81   2HD   PRO  12           HD1      PRO  12  -2.304  -3.298 -11.495
   82    H    LYS  13           HN       LYS  13   0.232  -6.147  -7.098
   83    HA   LYS  13           HA       LYS  13   1.432  -8.068  -9.022
   84   1HB   LYS  13           HB2      LYS  13   1.992  -7.480  -6.103
   85   2HB   LYS  13           HB1      LYS  13   2.811  -8.734  -7.030
   86   1HG   LYS  13           HG2      LYS  13   3.554  -7.000  -8.661
   87   2HG   LYS  13           HG1      LYS  13   2.817  -5.766  -7.638
   88   1HD   LYS  13           HD2      LYS  13   4.604  -5.748  -6.271
   89   2HD   LYS  13           HD1      LYS  13   4.505  -7.496  -6.051
   90   1HE   LYS  13           HE2      LYS  13   6.655  -7.003  -7.039
   91   2HE   LYS  13           HE1      LYS  13   5.656  -7.762  -8.279
   92   1HZ   LYS  13           HZ2      LYS  13   5.696  -4.831  -7.997
   93   2HZ   LYS  13           HZ1      LYS  13   6.941  -5.621  -8.843
   94   3HZ   LYS  13           HZ3      LYS  13   5.336  -5.772  -9.365
   95    HA   PRO  14           HA       PRO  14  -1.586 -11.029  -7.657
   96   1HB   PRO  14           HB2      PRO  14  -0.589 -13.152  -9.086
   97   2HB   PRO  14           HB1      PRO  14  -1.546 -11.846  -9.808
   98   1HG   PRO  14           HG2      PRO  14   1.376 -12.361 -10.012
   99   2HG   PRO  14           HG1      PRO  14   0.313 -11.482 -11.121
  100   1HD   PRO  14           HD2      PRO  14   2.111 -10.334  -9.268
  101   2HD   PRO  14           HD1      PRO  14   0.860  -9.482 -10.150
  102    H    ALA  15           HN       ALA  15   1.293 -10.699  -6.375
  103    HA   ALA  15           HA       ALA  15   1.000 -13.054  -4.626
  104   1HB   ALA  15           HB2      ALA  15   2.785 -13.177  -6.773
  105   2HB   ALA  15           HB1      ALA  15   3.799 -12.774  -5.387
  106   3HB   ALA  15           HB3      ALA  15   2.791 -14.221  -5.351
  107    H    CYS  16           HN       CYS  16   1.279 -12.319  -2.576
  108    HA   CYS  16           HA       CYS  16   3.026  -9.920  -2.183
  109   1HB   CYS  16           HB2      CYS  16   0.677 -10.699  -0.435
  110   2HB   CYS  16           HB1      CYS  16   1.555  -9.169  -0.450
  111    H    THR  17           HN       THR  17   4.683 -10.174  -0.736
  112    HA   THR  17           HA       THR  17   5.289 -12.760   0.345
  113    HB   THR  17           HB       THR  17   6.917 -11.343   1.810
  114    HG1  THR  17           HG1      THR  17   6.821  -9.305   0.063
  115   1HG2  THR  17          HG22      THR  17   7.455 -12.584  -0.317
  116   2HG2  THR  17          HG21      THR  17   7.113 -11.098  -1.202
  117   3HG2  THR  17          HG23      THR  17   8.447 -11.150  -0.049
  118    H    LEU  18           HN       LEU  18   5.932 -12.437   3.001
  119    HA   LEU  18           HA       LEU  18   3.264 -11.855   4.206
  120   1HB   LEU  18           HB2      LEU  18   5.255 -13.708   5.505
  121   2HB   LEU  18           HB1      LEU  18   3.510 -13.653   5.653
  122    HG   LEU  18           HG       LEU  18   3.765 -14.129   2.981
  123   1HD1  LEU  18          HD12      LEU  18   6.141 -15.275   4.425
  124   2HD1  LEU  18          HD11      LEU  18   5.435 -16.151   3.067
  125   3HD1  LEU  18          HD13      LEU  18   6.068 -14.521   2.833
  126   1HD2  LEU  18          HD23      LEU  18   3.673 -16.174   5.223
  127   2HD2  LEU  18          HD22      LEU  18   2.286 -15.306   4.566
  128   3HD2  LEU  18          HD21      LEU  18   3.161 -16.460   3.560
  129    H    GLU  19           HN       GLU  19   6.563 -10.959   4.207
  130    HA   GLU  19           HA       GLU  19   7.118 -10.210   6.821
  131   1HB   GLU  19           HB2      GLU  19   8.359  -8.260   5.856
  132   2HB   GLU  19           HB1      GLU  19   8.725  -9.778   5.037
  133   1HG   GLU  19           HG2      GLU  19   6.418  -8.497   3.837
  134   2HG   GLU  19           HG1      GLU  19   7.807  -7.411   3.852
  135    H    TYR  20           HN       TYR  20   6.105  -8.920   8.213
  136    HA   TYR  20           HA       TYR  20   3.699  -7.519   7.315
  137   1HB   TYR  20           HB2      TYR  20   3.886  -8.929   9.416
  138   2HB   TYR  20           HB1      TYR  20   4.729  -7.562  10.138
  139    HD1  TYR  20           HD2      TYR  20   1.879  -7.664   7.706
  140    HD2  TYR  20           HD1      TYR  20   3.208  -6.582  11.647
  141    HE1  TYR  20           HE2      TYR  20  -0.298  -6.565   8.132
  142    HE2  TYR  20           HE1      TYR  20   1.027  -5.486  12.079
  143    HH   TYR  20           HH       TYR  20  -1.615  -6.020  10.641
  144    H    ARG  21           HN       ARG  21   3.540  -5.526   6.887
  145    HA   ARG  21           HA       ARG  21   4.898  -3.381   8.302
  146   1HB   ARG  21           HB2      ARG  21   5.845  -2.448   6.083
  147   2HB   ARG  21           HB1      ARG  21   6.744  -3.763   6.841
  148   1HG   ARG  21           HG2      ARG  21   6.117  -5.301   5.241
  149   2HG   ARG  21           HG1      ARG  21   4.583  -4.492   4.914
  150   1HD   ARG  21           HD2      ARG  21   5.597  -3.669   3.064
  151   2HD   ARG  21           HD1      ARG  21   6.451  -2.592   4.169
  152    HE   ARG  21           HE       ARG  21   8.389  -3.986   3.978
  153   1HH1  ARG  21          HH21      ARG  21   5.711  -5.872   3.138
  154   2HH1  ARG  21          HH22      ARG  21   6.532  -6.790   1.920
  155   1HH2  ARG  21          HH11      ARG  21   9.423  -4.878   2.056
  156   2HH2  ARG  21          HH12      ARG  21   8.631  -6.220   1.299
  157    HA   PRO  22           HA       PRO  22   0.659  -2.785   6.646
  158   1HB   PRO  22           HB2      PRO  22  -0.160  -1.312   8.844
  159   2HB   PRO  22           HB1      PRO  22  -0.270  -3.085   8.708
  160   1HG   PRO  22           HG2      PRO  22   1.719  -1.415  10.203
  161   2HG   PRO  22           HG1      PRO  22   1.084  -3.023  10.595
  162   1HD   PRO  22           HD2      PRO  22   3.592  -2.578   9.490
  163   2HD   PRO  22           HD1      PRO  22   2.693  -4.104   9.333
  164    H    LEU  23           HN       LEU  23   0.042  -1.139   5.336
  165    HA   LEU  23           HA       LEU  23   1.228   1.555   5.915
  166   1HB   LEU  23           HB2      LEU  23   0.463   0.419   3.211
  167   2HB   LEU  23           HB1      LEU  23   1.269   1.961   3.521
  168    HG   LEU  23           HG       LEU  23   2.829   0.113   4.890
  169   1HD1  LEU  23          HD11      LEU  23   1.549  -1.100   2.500
  170   2HD1  LEU  23          HD13      LEU  23   3.283  -1.359   2.684
  171   3HD1  LEU  23          HD12      LEU  23   2.175  -1.872   3.957
  172   1HD2  LEU  23          HD21      LEU  23   2.992   1.732   2.419
  173   2HD2  LEU  23          HD23      LEU  23   4.072   1.683   3.810
  174   3HD2  LEU  23          HD22      LEU  23   4.182   0.438   2.566
  175    H    CYS  24           HN       CYS  24  -0.249   3.280   5.895
  176    HA   CYS  24           HA       CYS  24  -3.084   2.404   5.807
  177   1HB   CYS  24           HB2      CYS  24  -1.607   4.342   7.402
  178   2HB   CYS  24           HB1      CYS  24  -3.067   5.034   6.727
  179    H    GLY  25           HN       GLY  25  -4.424   3.006   4.261
  180   1HA   GLY  25           HA2      GLY  25  -3.531   4.334   1.914
  181   2HA   GLY  25           HA1      GLY  25  -5.142   3.968   2.288
  182    H    SER  26           HN       SER  26  -5.474   6.198   1.238
  183    HA   SER  26           HA       SER  26  -4.793   8.461   2.999
  184   1HB   SER  26           HB2      SER  26  -4.825   9.056   0.706
  185   2HB   SER  26           HB1      SER  26  -6.332   8.193   0.413
  186    HG   SER  26           HG       SER  26  -5.869  10.703   1.507
  187    H    ASP  27           HN       ASP  27  -7.515   6.341   2.416
  188    HA   ASP  27           HA       ASP  27  -9.464   8.010   3.781
  189   1HB   ASP  27           HB2      ASP  27 -10.851   5.920   3.760
  190   2HB   ASP  27           HB1      ASP  27 -10.235   6.361   2.167
  191    H    ASN  28           HN       ASN  28  -6.794   6.459   4.936
  192    HA   ASN  28           HA       ASN  28  -6.123   6.159   7.169
  193   1HB   ASN  28           HB2      ASN  28  -8.993   6.409   8.054
  194   2HB   ASN  28           HB1      ASN  28  -7.524   6.791   8.950
  195   1HD2  ASN  28          HD22      ASN  28  -9.107   9.952   7.576
  196   2HD2  ASN  28          HD21      ASN  28  -9.735   8.665   8.488
  197    H    LYS  29           HN       LYS  29  -6.843   4.026   5.388
  198    HA   LYS  29           HA       LYS  29  -8.037   2.042   7.264
  199   1HB   LYS  29           HB2      LYS  29  -9.236   2.050   5.193
  200   2HB   LYS  29           HB1      LYS  29  -7.748   2.094   4.249
  201   1HG   LYS  29           HG2      LYS  29  -7.519  -0.137   4.331
  202   2HG   LYS  29           HG1      LYS  29  -7.791  -0.167   6.073
  203   1HD   LYS  29           HD2      LYS  29 -10.262   0.095   5.604
  204   2HD   LYS  29           HD1      LYS  29  -9.896  -0.134   3.894
  205   1HE   LYS  29           HE2      LYS  29  -8.635  -2.181   5.537
  206   2HE   LYS  29           HE1      LYS  29 -10.385  -2.155   5.763
  207   1HZ   LYS  29           HZ2      LYS  29  -9.042  -2.200   3.115
  208   2HZ   LYS  29           HZ1      LYS  29  -9.647  -3.579   3.903
  209   3HZ   LYS  29           HZ3      LYS  29 -10.707  -2.346   3.418
  210    H    THR  30           HN       THR  30  -6.792   0.172   7.776
  211    HA   THR  30           HA       THR  30  -3.901   0.469   7.221
  212    HB   THR  30           HB       THR  30  -5.433  -1.449   9.001
  213    HG1  THR  30           HG1      THR  30  -4.822   0.988   9.376
  214   1HG2  THR  30          HG23      THR  30  -2.472  -1.201   8.404
  215   2HG2  THR  30          HG22      THR  30  -3.090  -2.005   9.847
  216   3HG2  THR  30          HG21      THR  30  -3.486  -2.636   8.248
  217    H    TYR  31           HN       TYR  31  -2.682  -1.100   6.128
  218    HA   TYR  31           HA       TYR  31  -4.243  -3.246   4.772
  219   1HB   TYR  31           HB2      TYR  31  -2.607  -1.117   3.541
  220   2HB   TYR  31           HB1      TYR  31  -2.140  -2.735   3.068
  221    HD1  TYR  31           HD2      TYR  31  -4.073  -4.356   2.394
  222    HD2  TYR  31           HD1      TYR  31  -4.460  -0.090   2.547
  223    HE1  TYR  31           HE2      TYR  31  -6.058  -4.491   0.914
  224    HE2  TYR  31           HE1      TYR  31  -6.449  -0.215   1.071
  225    HH   TYR  31           HH       TYR  31  -8.030  -1.657   0.239
  226    H    GLY  32           HN       GLY  32  -3.250  -5.256   4.862
  227   1HA   GLY  32           HA2      GLY  32  -1.572  -5.930   6.881
  228   2HA   GLY  32           HA1      GLY  32  -1.555  -6.838   5.387
  229    H    ASN  33           HN       ASN  33  -0.448  -5.052   3.613
  230    HA   ASN  33           HA       ASN  33   1.881  -3.777   4.733
  231   1HB   ASN  33           HB2      ASN  33   3.540  -5.296   3.544
  232   2HB   ASN  33           HB1      ASN  33   2.772  -5.973   4.973
  233   1HD2  ASN  33          HD22      ASN  33   2.600  -8.394   2.059
  234   2HD2  ASN  33          HD21      ASN  33   3.887  -7.509   2.721
  235    H    LYS  34           HN       LYS  34   3.552  -3.747   2.539
  236    HA   LYS  34           HA       LYS  34   2.398  -1.746   0.978
  237   1HB   LYS  34           HB2      LYS  34   4.295  -2.029  -0.532
  238   2HB   LYS  34           HB1      LYS  34   4.833  -2.209   1.137
  239   1HG   LYS  34           HG2      LYS  34   4.528  -4.718   0.851
  240   2HG   LYS  34           HG1      LYS  34   4.302  -4.408  -0.873
  241   1HD   LYS  34           HD2      LYS  34   6.631  -2.994   0.098
  242   2HD   LYS  34           HD1      LYS  34   6.756  -4.713   0.476
  243   1HE   LYS  34           HE2      LYS  34   7.008  -5.282  -1.703
  244   2HE   LYS  34           HE1      LYS  34   5.723  -4.193  -2.221
  245   1HZ   LYS  34           HZ3      LYS  34   7.458  -2.376  -1.680
  246   2HZ   LYS  34           HZ2      LYS  34   8.586  -3.638  -1.835
  247   3HZ   LYS  34           HZ1      LYS  34   7.578  -3.231  -3.140
  248    H    CYS  35           HN       CYS  35   2.749  -5.206   0.083
  249    HA   CYS  35           HA       CYS  35   1.665  -5.034  -2.476
  250   1HB   CYS  35           HB2      CYS  35   2.691  -7.073  -1.382
  251   2HB   CYS  35           HB1      CYS  35   1.128  -7.337  -0.608
  252    H    ASN  36           HN       ASN  36  -0.238  -6.014   0.423
  253    HA   ASN  36           HA       ASN  36  -2.717  -5.879  -0.961
  254   1HB   ASN  36           HB2      ASN  36  -2.153  -5.603   1.996
  255   2HB   ASN  36           HB1      ASN  36  -3.764  -5.788   1.295
  256   1HD2  ASN  36          HD22      ASN  36  -1.215  -8.978   1.319
  257   2HD2  ASN  36          HD21      ASN  36  -0.630  -7.419   1.627
  258    H    PHE  37           HN       PHE  37  -0.802  -3.343   0.526
  259    HA   PHE  37           HA       PHE  37  -2.895  -1.397   0.787
  260   1HB   PHE  37           HB2      PHE  37  -0.773  -0.978   1.835
  261   2HB   PHE  37           HB1      PHE  37   0.070  -1.047   0.434
  262    HD1  PHE  37           HD1      PHE  37  -3.141   0.595   1.064
  263    HD2  PHE  37           HD2      PHE  37   0.976   1.040   0.043
  264    HE1  PHE  37           HE1      PHE  37  -3.540   2.999   0.572
  265    HE2  PHE  37           HE2      PHE  37   0.608   3.448  -0.449
  266    HZ   PHE  37           HZ       PHE  37  -1.660   4.425  -0.186
  267    H    CYS  38           HN       CYS  38  -0.377  -1.645  -1.652
  268    HA   CYS  38           HA       CYS  38  -1.477   0.276  -3.414
  269   1HB   CYS  38           HB2      CYS  38   0.861  -0.567  -3.609
  270   2HB   CYS  38           HB1      CYS  38   0.234  -2.089  -4.241
  271    H    ASN  39           HN       ASN  39  -1.928  -3.290  -3.363
  272    HA   ASN  39           HA       ASN  39  -3.435  -3.648  -5.666
  273   1HB   ASN  39           HB2      ASN  39  -3.353  -4.874  -2.993
  274   2HB   ASN  39           HB1      ASN  39  -4.907  -5.040  -3.791
  275   1HD2  ASN  39          HD22      ASN  39  -1.871  -7.304  -5.013
  276   2HD2  ASN  39          HD21      ASN  39  -1.809  -6.379  -3.600
  277    H    ALA  40           HN       ALA  40  -4.246  -1.896  -2.772
  278    HA   ALA  40           HA       ALA  40  -7.056  -1.492  -3.423
  279   1HB   ALA  40           HB1      ALA  40  -5.600  -1.194  -1.141
  280   2HB   ALA  40           HB3      ALA  40  -5.619   0.474  -1.712
  281   3HB   ALA  40           HB2      ALA  40  -7.137  -0.373  -1.411
  282    H    VAL  41           HN       VAL  41  -4.079   0.466  -3.560
  283    HA   VAL  41           HA       VAL  41  -5.097   2.793  -4.796
  284    HB   VAL  41           HB       VAL  41  -2.427   1.405  -5.195
  285   1HG1  VAL  41          HG12      VAL  41  -3.410   3.420  -6.765
  286   2HG1  VAL  41          HG11      VAL  41  -2.610   4.338  -5.488
  287   3HG1  VAL  41          HG13      VAL  41  -1.696   3.165  -6.435
  288   1HG2  VAL  41          HG22      VAL  41  -3.033   2.028  -2.850
  289   2HG2  VAL  41          HG21      VAL  41  -1.636   2.915  -3.458
  290   3HG2  VAL  41          HG23      VAL  41  -3.211   3.702  -3.377
  291    H    VAL  42           HN       VAL  42  -3.578   0.010  -6.431
  292    HA   VAL  42           HA       VAL  42  -4.158   0.767  -9.085
  293    HB   VAL  42           HB       VAL  42  -3.695  -1.600  -9.613
  294   1HG1  VAL  42          HG11      VAL  42  -1.999   0.183  -8.342
  295   2HG1  VAL  42          HG13      VAL  42  -1.805  -1.295  -7.399
  296   3HG1  VAL  42          HG12      VAL  42  -1.500  -1.311  -9.136
  297   1HG2  VAL  42          HG23      VAL  42  -4.566  -1.904  -6.830
  298   2HG2  VAL  42          HG22      VAL  42  -4.570  -3.081  -8.144
  299   3HG2  VAL  42          HG21      VAL  42  -3.096  -2.793  -7.220
  300    H    GLU  43           HN       GLU  43  -6.193  -0.754  -6.663
  301    HA   GLU  43           HA       GLU  43  -8.210  -1.501  -8.682
  302   1HB   GLU  43           HB2      GLU  43  -7.599  -2.627  -6.298
  303   2HB   GLU  43           HB1      GLU  43  -8.909  -1.574  -5.792
  304   1HG   GLU  43           HG2      GLU  43 -10.272  -2.509  -7.700
  305   2HG   GLU  43           HG1      GLU  43  -8.988  -3.693  -7.945
  306    H    SER  44           HN       SER  44  -7.347   1.203  -6.818
  307    HA   SER  44           HA       SER  44 -10.086   2.331  -7.112
  308   1HB   SER  44           HB2      SER  44  -9.627   3.790  -5.304
  309   2HB   SER  44           HB1      SER  44  -8.943   2.245  -4.806
  310    HG   SER  44           HG       SER  44  -7.041   3.130  -4.831
  311    H    ASN  45           HN       ASN  45  -8.015   2.155  -9.246
  312    HA   ASN  45           HA       ASN  45  -6.915   3.527 -10.801
  313   1HB   ASN  45           HB2      ASN  45  -8.293   5.694 -11.227
  314   2HB   ASN  45           HB1      ASN  45  -9.025   4.164 -11.634
  315   1HD2  ASN  45          HD22      ASN  45 -11.426   4.332  -8.995
  316   2HD2  ASN  45          HD21      ASN  45 -10.603   3.267 -10.024
  317    H    GLY  46           HN       GLY  46  -5.518   3.683  -8.603
  318   1HA   GLY  46           HA2      GLY  46  -4.310   5.031  -7.101
  319   2HA   GLY  46           HA1      GLY  46  -3.942   5.894  -8.579
  320    H    THR  47           HN       THR  47  -6.949   5.614  -6.716
  321    HA   THR  47           HA       THR  47  -6.993   8.596  -6.498
  322    HB   THR  47           HB       THR  47  -8.897   7.425  -7.741
  323    HG1  THR  47           HG1      THR  47 -10.489   8.554  -6.253
  324   1HG2  THR  47          HG22      THR  47  -8.806   5.695  -5.607
  325   2HG2  THR  47          HG21      THR  47 -10.181   6.717  -5.191
  326   3HG2  THR  47          HG23      THR  47 -10.163   5.844  -6.723
  327    H    LEU  48           HN       LEU  48  -6.449   5.752  -4.816
  328    HA   LEU  48           HA       LEU  48  -7.586   6.537  -2.259
  329   1HB   LEU  48           HB2      LEU  48  -7.568   4.236  -2.502
  330   2HB   LEU  48           HB1      LEU  48  -6.072   4.246  -3.426
  331    HG   LEU  48           HG       LEU  48  -4.906   4.895  -1.235
  332   1HD1  LEU  48          HD11      LEU  48  -7.106   5.546  -0.163
  333   2HD1  LEU  48          HD13      LEU  48  -7.466   3.824  -0.057
  334   3HD1  LEU  48          HD12      LEU  48  -6.078   4.489   0.801
  335   1HD2  LEU  48          HD22      LEU  48  -6.201   2.281  -1.903
  336   2HD2  LEU  48          HD21      LEU  48  -4.493   2.715  -1.915
  337   3HD2  LEU  48          HD23      LEU  48  -5.317   2.426  -0.384
  338    H    THR  49           HN       THR  49  -4.269   5.651  -3.071
  339    HA   THR  49           HA       THR  49  -2.218   6.498  -2.408
  340    HB   THR  49           HB       THR  49  -1.938   8.826  -2.399
  341    HG1  THR  49           HG1      THR  49  -3.352   9.597  -0.960
  342   1HG2  THR  49          HG22      THR  49  -4.154   7.875  -4.157
  343   2HG2  THR  49          HG21      THR  49  -3.603   9.548  -4.247
  344   3HG2  THR  49          HG23      THR  49  -2.477   8.231  -4.571
  345    H    LEU  50           HN       LEU  50  -1.138   6.522  -0.545
  346    HA   LEU  50           HA       LEU  50  -2.743   6.355   1.919
  347   1HB   LEU  50           HB2      LEU  50  -1.380   4.571   2.075
  348   2HB   LEU  50           HB1      LEU  50  -0.294   5.201   0.849
  349    HG   LEU  50           HG       LEU  50  -0.197   6.344   3.626
  350   1HD1  LEU  50          HD13      LEU  50   0.728   3.675   2.638
  351   2HD1  LEU  50          HD12      LEU  50   1.640   4.523   3.888
  352   3HD1  LEU  50          HD11      LEU  50  -0.046   4.086   4.168
  353   1HD2  LEU  50          HD23      LEU  50   1.543   6.125   1.192
  354   2HD2  LEU  50          HD22      LEU  50   1.272   7.516   2.241
  355   3HD2  LEU  50          HD21      LEU  50   2.324   6.204   2.772
  356    H    SER  51           HN       SER  51  -1.805   7.287   3.941
  357    HA   SER  51           HA       SER  51  -0.830  10.059   3.404
  358   1HB   SER  51           HB2      SER  51  -3.058   9.257   4.832
  359   2HB   SER  51           HB1      SER  51  -1.856   9.364   6.074
  360    HG   SER  51           HG       SER  51  -2.276  11.404   4.168
  361    H    HIS  52           HN       HIS  52  -0.411   7.134   5.295
  362    HA   HIS  52           HA       HIS  52   2.377   7.886   5.877
  363   1HB   HIS  52           HB2      HIS  52   2.118   7.665   8.291
  364   2HB   HIS  52           HB1      HIS  52   1.014   8.910   7.705
  365    HD1  HIS  52           HD1      HIS  52   0.942   6.300  10.002
  366    HD2  HIS  52           HD2      HIS  52  -1.614   7.273   6.843
  367    HE1  HIS  52           HE1      HIS  52  -1.255   5.138  10.460
  368    H    PHE  53           HN       PHE  53   3.495   6.058   6.972
  369    HA   PHE  53           HA       PHE  53   2.612   3.497   5.854
  370   1HB   PHE  53           HB2      PHE  53   5.064   4.347   7.417
  371   2HB   PHE  53           HB1      PHE  53   4.782   2.687   6.893
  372    HD1  PHE  53           HD2      PHE  53   4.454   6.111   5.367
  373    HD2  PHE  53           HD1      PHE  53   5.902   2.089   4.948
  374    HE1  PHE  53           HE2      PHE  53   5.339   6.664   3.122
  375    HE2  PHE  53           HE1      PHE  53   6.787   2.644   2.700
  376    HZ   PHE  53           HZ       PHE  53   6.506   4.931   1.786
  377    H    GLY  54           HN       GLY  54   3.413   1.644   7.709
  378   1HA   GLY  54           HA2      GLY  54   2.690   0.508   9.621
  379   2HA   GLY  54           HA1      GLY  54   2.568   2.059  10.384
  380    H    LYS  55           HN       LYS  55   0.641   0.981  11.388
  381    HA   LYS  55           HA       LYS  55  -1.750   0.852   9.651
  382   1HB   LYS  55           HB2      LYS  55  -1.987   0.599  12.614
  383   2HB   LYS  55           HB1      LYS  55  -2.758  -0.350  11.345
  384   1HG   LYS  55           HG2      LYS  55  -0.329  -1.223  10.887
  385   2HG   LYS  55           HG1      LYS  55  -0.009  -0.652  12.524
  386   1HD   LYS  55           HD2      LYS  55  -2.485  -2.248  12.186
  387   2HD   LYS  55           HD1      LYS  55  -0.972  -3.130  11.979
  388   1HE   LYS  55           HE2      LYS  55  -0.288  -1.845  14.187
  389   2HE   LYS  55           HE1      LYS  55  -2.033  -1.738  14.411
  390   1HZ   LYS  55           HZ2      LYS  55  -1.911  -4.258  13.807
  391   2HZ   LYS  55           HZ1      LYS  55  -0.307  -4.108  14.348
  392   3HZ   LYS  55           HZ3      LYS  55  -1.591  -3.736  15.392
  393    H    CYS  56           HN       CYS  56  -3.717   2.064  10.429
  394    HA   CYS  56           HA       CYS  56  -3.077   4.859  10.691
  395   1HB   CYS  56           HB2      CYS  56  -5.639   3.279  10.702
  396   2HB   CYS  56           HB1      CYS  56  -5.639   5.015  11.025
   
  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  11.652  12.708  -0.284
    2   2H    LEU   1           HT3      LEU   1  13.111  12.592   0.574
    3   3H    LEU   1           HT2      LEU   1  11.907  11.411   0.783
    4    HA   LEU   1           HA       LEU   1  11.432  12.607   2.617
    5   1HB   LEU   1           HB2      LEU   1  13.341  14.299   1.534
    6   2HB   LEU   1           HB1      LEU   1  11.907  15.323   1.623
    7    HG   LEU   1           HG       LEU   1  11.760  14.099   4.038
    8   1HD1  LEU   1          HD13      LEU   1  14.295  13.370   3.100
    9   2HD1  LEU   1          HD12      LEU   1  14.602  14.697   4.219
   10   3HD1  LEU   1          HD11      LEU   1  13.727  13.267   4.766
   11   1HD2  LEU   1          HD23      LEU   1  12.285  16.655   3.038
   12   2HD2  LEU   1          HD22      LEU   1  11.942  16.248   4.720
   13   3HD2  LEU   1          HD21      LEU   1  13.612  16.352   4.159
   14    H    ALA   2           HN       ALA   2   9.644  14.159   3.207
   15    HA   ALA   2           HA       ALA   2   7.389  14.742   2.880
   16   1HB   ALA   2           HB3      ALA   2   8.903  15.951   0.589
   17   2HB   ALA   2           HB2      ALA   2   7.142  16.066   0.605
   18   3HB   ALA   2           HB1      ALA   2   8.084  16.750   1.930
   19    H    ALA   3           HN       ALA   3   5.724  14.801   0.717
   20    HA   ALA   3           HA       ALA   3   4.367  13.315  -0.500
   21   1HB   ALA   3           HB3      ALA   3   6.514  13.715  -1.944
   22   2HB   ALA   3           HB2      ALA   3   6.909  12.054  -1.499
   23   3HB   ALA   3           HB1      ALA   3   5.422  12.402  -2.383
   24    H    VAL   4           HN       VAL   4   3.648  12.148   1.411
   25    HA   VAL   4           HA       VAL   4   5.118   9.696   2.143
   26    HB   VAL   4           HB       VAL   4   3.282   9.433   3.820
   27   1HG1  VAL   4          HG11      VAL   4   5.361  10.811   4.236
   28   2HG1  VAL   4          HG13      VAL   4   4.422  12.240   3.804
   29   3HG1  VAL   4          HG12      VAL   4   3.968  11.280   5.212
   30   1HG2  VAL   4          HG21      VAL   4   2.040  11.363   2.060
   31   2HG2  VAL   4          HG23      VAL   4   1.319  10.458   3.391
   32   3HG2  VAL   4          HG22      VAL   4   2.110  12.003   3.702
   33    H    SER   5           HN       SER   5   4.892   8.340   0.324
   34    HA   SER   5           HA       SER   5   2.504   6.780   0.157
   35   1HB   SER   5           HB2      SER   5   1.354   8.471  -0.982
   36   2HB   SER   5           HB1      SER   5   2.807   9.049  -1.791
   37    HG   SER   5           HG       SER   5   1.008   7.341  -2.691
   38    H    VAL   6           HN       VAL   6   3.145   4.839  -0.685
   39    HA   VAL   6           HA       VAL   6   5.825   4.630  -1.841
   40    HB   VAL   6           HB       VAL   6   4.827   2.933  -0.256
   41   1HG1  VAL   6          HG13      VAL   6   3.108   2.434  -2.693
   42   2HG1  VAL   6          HG12      VAL   6   3.356   1.208  -1.450
   43   3HG1  VAL   6          HG11      VAL   6   2.584   2.739  -1.037
   44   1HG2  VAL   6          HG22      VAL   6   5.733   1.985  -2.992
   45   2HG2  VAL   6          HG21      VAL   6   6.772   2.365  -1.620
   46   3HG2  VAL   6          HG23      VAL   6   5.688   0.976  -1.548
   47    H    ASP   7           HN       ASP   7   6.256   3.730  -3.959
   48    HA   ASP   7           HA       ASP   7   4.326   4.650  -5.971
   49   1HB   ASP   7           HB2      ASP   7   6.872   4.909  -6.108
   50   2HB   ASP   7           HB1      ASP   7   6.923   3.186  -6.480
   51    H    CYS   8           HN       CYS   8   2.717   3.326  -6.664
   52    HA   CYS   8           HA       CYS   8   3.060   0.384  -6.396
   53   1HB   CYS   8           HB2      CYS   8   0.604   2.044  -7.046
   54   2HB   CYS   8           HB1      CYS   8   0.618   0.295  -6.816
   55    H    SER   9           HN       SER   9   4.653   1.345  -8.390
   56    HA   SER   9           HA       SER   9   3.253   1.369 -10.951
   57   1HB   SER   9           HB2      SER   9   6.068   1.625 -10.030
   58   2HB   SER   9           HB1      SER   9   5.826   1.026 -11.668
   59    HG   SER   9           HG       SER   9   4.198   2.957 -11.585
   60    H    GLU  10           HN       GLU  10   4.712  -1.004  -8.905
   61    HA   GLU  10           HA       GLU  10   4.615  -3.030 -11.088
   62   1HB   GLU  10           HB2      GLU  10   5.797  -3.185  -8.296
   63   2HB   GLU  10           HB1      GLU  10   5.869  -4.470  -9.503
   64   1HG   GLU  10           HG2      GLU  10   7.850  -3.498 -10.070
   65   2HG   GLU  10           HG1      GLU  10   6.826  -2.358 -10.943
   66    H    TYR  11           HN       TYR  11   2.144  -2.092 -10.143
   67    HA   TYR  11           HA       TYR  11   1.128  -4.491  -8.714
   68   1HB   TYR  11           HB2      TYR  11   0.663  -1.563  -8.188
   69   2HB   TYR  11           HB1      TYR  11  -0.585  -2.727  -7.764
   70    HD1  TYR  11           HD1      TYR  11  -0.041  -4.620  -6.179
   71    HD2  TYR  11           HD2      TYR  11   2.689  -1.389  -6.933
   72    HE1  TYR  11           HE1      TYR  11   1.255  -5.239  -4.154
   73    HE2  TYR  11           HE2      TYR  11   3.975  -2.002  -4.904
   74    HH   TYR  11           HH       TYR  11   3.249  -4.928  -3.083
   75    HA   PRO  12           HA       PRO  12  -0.932  -4.489  -7.868
   76   1HB   PRO  12           HB2      PRO  12  -3.117  -6.132  -8.176
   77   2HB   PRO  12           HB1      PRO  12  -3.239  -4.382  -7.941
   78   1HG   PRO  12           HG2      PRO  12  -3.752  -5.956 -10.389
   79   2HG   PRO  12           HG1      PRO  12  -4.249  -4.301 -10.003
   80   1HD   PRO  12           HD2      PRO  12  -2.036  -5.149 -11.648
   81   2HD   PRO  12           HD1      PRO  12  -2.543  -3.495 -11.330
   82    H    LYS  13           HN       LYS  13  -0.905  -6.729  -6.848
   83    HA   LYS  13           HA       LYS  13   0.260  -8.748  -8.719
   84   1HB   LYS  13           HB2      LYS  13   1.171  -8.845  -5.908
   85   2HB   LYS  13           HB1      LYS  13   2.088  -9.049  -7.400
   86   1HG   LYS  13           HG2      LYS  13   1.973  -6.577  -7.760
   87   2HG   LYS  13           HG1      LYS  13   1.189  -6.421  -6.189
   88   1HD   LYS  13           HD2      LYS  13   3.469  -6.033  -5.714
   89   2HD   LYS  13           HD1      LYS  13   3.230  -7.724  -5.267
   90   1HE   LYS  13           HE2      LYS  13   3.929  -8.227  -7.727
   91   2HE   LYS  13           HE1      LYS  13   4.594  -6.595  -7.702
   92   1HZ   LYS  13           HZ3      LYS  13   5.237  -8.259  -5.414
   93   2HZ   LYS  13           HZ2      LYS  13   5.933  -8.739  -6.888
   94   3HZ   LYS  13           HZ1      LYS  13   6.215  -7.178  -6.280
   95    HA   PRO  14           HA       PRO  14  -2.856 -11.343  -6.991
   96   1HB   PRO  14           HB2      PRO  14  -1.895 -13.729  -7.947
   97   2HB   PRO  14           HB1      PRO  14  -2.730 -12.533  -8.953
   98   1HG   PRO  14           HG2      PRO  14   0.178 -13.181  -8.830
   99   2HG   PRO  14           HG1      PRO  14  -0.770 -12.528 -10.176
  100   1HD   PRO  14           HD2      PRO  14   0.939 -11.048  -8.510
  101   2HD   PRO  14           HD1      PRO  14  -0.273 -10.374  -9.579
  102    H    ALA  15           HN       ALA  15  -0.035 -10.926  -5.581
  103    HA   ALA  15           HA       ALA  15  -0.589 -12.482  -3.266
  104   1HB   ALA  15           HB2      ALA  15   0.819 -13.884  -5.396
  105   2HB   ALA  15           HB1      ALA  15   1.770 -13.832  -3.912
  106   3HB   ALA  15           HB3      ALA  15   0.145 -14.519  -3.895
  107    H    CYS  16           HN       CYS  16   0.957 -12.061  -1.580
  108    HA   CYS  16           HA       CYS  16   3.117 -10.136  -2.355
  109   1HB   CYS  16           HB2      CYS  16   1.147  -9.028  -1.215
  110   2HB   CYS  16           HB1      CYS  16   1.489 -10.019   0.201
  111    H    THR  17           HN       THR  17   4.928 -10.070  -0.795
  112    HA   THR  17           HA       THR  17   5.800 -12.692   0.000
  113    HB   THR  17           HB       THR  17   7.756 -11.634   0.771
  114    HG1  THR  17           HG1      THR  17   6.549  -9.122   0.973
  115   1HG2  THR  17          HG21      THR  17   6.988 -11.058  -1.666
  116   2HG2  THR  17          HG23      THR  17   6.788  -9.428  -1.021
  117   3HG2  THR  17          HG22      THR  17   8.369 -10.208  -0.970
  118    H    LEU  18           HN       LEU  18   6.818 -11.676   2.686
  119    HA   LEU  18           HA       LEU  18   4.227 -11.776   4.152
  120   1HB   LEU  18           HB2      LEU  18   5.264 -13.336   5.772
  121   2HB   LEU  18           HB1      LEU  18   5.209 -14.029   4.153
  122    HG   LEU  18           HG       LEU  18   7.608 -12.870   3.983
  123   1HD1  LEU  18          HD12      LEU  18   7.048 -13.209   6.923
  124   2HD1  LEU  18          HD11      LEU  18   8.691 -13.364   6.303
  125   3HD1  LEU  18          HD13      LEU  18   7.808 -11.851   6.093
  126   1HD2  LEU  18          HD23      LEU  18   6.989 -15.315   3.771
  127   2HD2  LEU  18          HD22      LEU  18   8.576 -15.027   4.487
  128   3HD2  LEU  18          HD21      LEU  18   7.208 -15.455   5.515
  129    H    GLU  19           HN       GLU  19   7.331 -10.301   3.846
  130    HA   GLU  19           HA       GLU  19   7.807  -9.526   6.510
  131   1HB   GLU  19           HB2      GLU  19   9.141  -7.712   5.644
  132   2HB   GLU  19           HB1      GLU  19   9.376  -9.103   4.594
  133   1HG   GLU  19           HG2      GLU  19   7.156  -7.359   3.762
  134   2HG   GLU  19           HG1      GLU  19   8.729  -6.580   3.738
  135    H    TYR  20           HN       TYR  20   6.692  -8.302   7.840
  136    HA   TYR  20           HA       TYR  20   4.191  -7.108   6.934
  137   1HB   TYR  20           HB2      TYR  20   4.537  -8.339   9.106
  138   2HB   TYR  20           HB1      TYR  20   5.363  -6.908   9.704
  139    HD1  TYR  20           HD2      TYR  20   2.383  -7.120   7.429
  140    HD2  TYR  20           HD1      TYR  20   3.878  -6.047  11.316
  141    HE1  TYR  20           HE2      TYR  20   0.191  -6.107   7.993
  142    HE2  TYR  20           HE1      TYR  20   1.685  -5.039  11.878
  143    HH   TYR  20           HH       TYR  20  -0.957  -4.932   9.491
  144    H    ARG  21           HN       ARG  21   4.028  -5.202   6.190
  145    HA   ARG  21           HA       ARG  21   5.456  -2.887   7.360
  146   1HB   ARG  21           HB2      ARG  21   5.446  -3.349   4.357
  147   2HB   ARG  21           HB1      ARG  21   6.297  -2.085   5.243
  148   1HG   ARG  21           HG2      ARG  21   6.896  -4.986   5.789
  149   2HG   ARG  21           HG1      ARG  21   7.644  -4.160   4.427
  150   1HD   ARG  21           HD2      ARG  21   9.096  -3.103   5.781
  151   2HD   ARG  21           HD1      ARG  21   7.783  -2.505   6.795
  152    HE   ARG  21           HE       ARG  21   8.659  -5.311   7.198
  153   1HH1  ARG  21          HH11      ARG  21   9.507  -2.140   8.008
  154   2HH1  ARG  21          HH12      ARG  21   9.524  -2.406   9.719
  155   1HH2  ARG  21          HH21      ARG  21   8.248  -5.623   9.499
  156   2HH2  ARG  21          HH22      ARG  21   8.813  -4.379  10.564
  157    HA   PRO  22           HA       PRO  22   0.921  -2.649   6.305
  158   1HB   PRO  22           HB2      PRO  22   0.255  -1.512   8.743
  159   2HB   PRO  22           HB1      PRO  22   0.247  -3.263   8.402
  160   1HG   PRO  22           HG2      PRO  22   2.281  -1.619   9.870
  161   2HG   PRO  22           HG1      PRO  22   1.794  -3.301  10.139
  162   1HD   PRO  22           HD2      PRO  22   4.131  -2.579   8.847
  163   2HD   PRO  22           HD1      PRO  22   3.291  -4.123   8.577
  164    H    LEU  23           HN       LEU  23   0.077  -0.888   5.263
  165    HA   LEU  23           HA       LEU  23   1.066   1.782   6.185
  166   1HB   LEU  23           HB2      LEU  23   0.256   1.237   3.341
  167   2HB   LEU  23           HB1      LEU  23   1.297   2.514   3.972
  168    HG   LEU  23           HG       LEU  23   2.336  -0.144   4.581
  169   1HD1  LEU  23          HD12      LEU  23   1.273   0.358   1.921
  170   2HD1  LEU  23          HD11      LEU  23   3.006   0.038   1.890
  171   3HD1  LEU  23          HD13      LEU  23   1.907  -1.135   2.611
  172   1HD2  LEU  23          HD21      LEU  23   3.207   2.507   3.627
  173   2HD2  LEU  23          HD23      LEU  23   3.974   1.414   4.779
  174   3HD2  LEU  23          HD22      LEU  23   4.171   1.149   3.046
  175    H    CYS  24           HN       CYS  24  -0.584   3.214   6.630
  176    HA   CYS  24           HA       CYS  24  -3.336   2.208   6.377
  177   1HB   CYS  24           HB2      CYS  24  -2.553   3.728   8.301
  178   2HB   CYS  24           HB1      CYS  24  -2.517   5.015   7.137
  179    H    GLY  25           HN       GLY  25  -4.383   2.393   4.451
  180   1HA   GLY  25           HA2      GLY  25  -3.263   3.778   2.277
  181   2HA   GLY  25           HA1      GLY  25  -4.853   3.222   2.312
  182    H    SER  26           HN       SER  26  -5.376   5.280   1.132
  183    HA   SER  26           HA       SER  26  -5.251   7.723   2.784
  184   1HB   SER  26           HB2      SER  26  -4.943   8.150   0.467
  185   2HB   SER  26           HB1      SER  26  -6.283   7.102   0.010
  186    HG   SER  26           HG       SER  26  -7.703   8.594   0.858
  187    H    ASP  27           HN       ASP  27  -7.563   5.249   1.858
  188    HA   ASP  27           HA       ASP  27  -9.919   6.670   2.760
  189   1HB   ASP  27           HB2      ASP  27 -11.060   4.560   2.526
  190   2HB   ASP  27           HB1      ASP  27  -9.907   4.676   1.196
  191    H    ASN  28           HN       ASN  28  -7.291   5.489   4.437
  192    HA   ASN  28           HA       ASN  28  -6.950   5.521   6.773
  193   1HB   ASN  28           HB2      ASN  28  -9.218   6.862   6.753
  194   2HB   ASN  28           HB1      ASN  28  -9.900   5.328   7.294
  195   1HD2  ASN  28          HD22      ASN  28  -8.963   6.086  10.598
  196   2HD2  ASN  28          HD21      ASN  28 -10.160   5.527   9.532
  197    H    LYS  29           HN       LYS  29  -7.751   3.174   4.872
  198    HA   LYS  29           HA       LYS  29  -8.493   1.207   6.964
  199   1HB   LYS  29           HB2      LYS  29  -9.788   0.888   5.012
  200   2HB   LYS  29           HB1      LYS  29  -8.404   1.088   3.946
  201   1HG   LYS  29           HG2      LYS  29  -7.844  -1.081   4.109
  202   2HG   LYS  29           HG1      LYS  29  -7.993  -1.056   5.865
  203   1HD   LYS  29           HD2      LYS  29 -10.493  -1.003   4.217
  204   2HD   LYS  29           HD1      LYS  29  -9.635  -2.533   4.397
  205   1HE   LYS  29           HE2      LYS  29 -10.976  -2.653   6.268
  206   2HE   LYS  29           HE1      LYS  29  -9.610  -1.778   6.962
  207   1HZ   LYS  29           HZ2      LYS  29 -11.689  -0.203   5.649
  208   2HZ   LYS  29           HZ1      LYS  29 -12.075  -0.899   7.150
  209   3HZ   LYS  29           HZ3      LYS  29 -10.756   0.159   7.022
  210    H    THR  30           HN       THR  30  -6.935   0.010   7.863
  211    HA   THR  30           HA       THR  30  -4.167   0.396   7.213
  212    HB   THR  30           HB       THR  30  -5.501  -1.806   8.822
  213    HG1  THR  30           HG1      THR  30  -5.330  -0.455  10.436
  214   1HG2  THR  30          HG21      THR  30  -2.591  -1.032   8.474
  215   2HG2  THR  30          HG23      THR  30  -3.171  -2.046   9.795
  216   3HG2  THR  30          HG22      THR  30  -3.330  -2.595   8.127
  217    H    TYR  31           HN       TYR  31  -2.753  -0.936   6.058
  218    HA   TYR  31           HA       TYR  31  -4.040  -3.119   4.496
  219   1HB   TYR  31           HB2      TYR  31  -2.114  -0.955   3.574
  220   2HB   TYR  31           HB1      TYR  31  -2.227  -2.486   2.760
  221    HD1  TYR  31           HD2      TYR  31  -4.719  -3.335   2.295
  222    HD2  TYR  31           HD1      TYR  31  -3.548   0.755   2.883
  223    HE1  TYR  31           HE2      TYR  31  -6.777  -2.582   1.137
  224    HE2  TYR  31           HE1      TYR  31  -5.609   1.509   1.725
  225    HH   TYR  31           HH       TYR  31  -7.499   0.891   0.751
  226    H    GLY  32           HN       GLY  32  -3.160  -5.043   5.013
  227   1HA   GLY  32           HA2      GLY  32  -1.387  -5.717   6.885
  228   2HA   GLY  32           HA1      GLY  32  -1.389  -6.622   5.386
  229    H    ASN  33           HN       ASN  33  -0.257  -4.869   3.584
  230    HA   ASN  33           HA       ASN  33   2.067  -3.618   4.742
  231   1HB   ASN  33           HB2      ASN  33   3.758  -5.107   3.683
  232   2HB   ASN  33           HB1      ASN  33   2.824  -5.920   4.929
  233   1HD2  ASN  33          HD22      ASN  33   2.700  -8.385   2.294
  234   2HD2  ASN  33          HD21      ASN  33   3.694  -7.856   3.561
  235    H    LYS  34           HN       LYS  34   3.734  -3.701   2.491
  236    HA   LYS  34           HA       LYS  34   2.734  -1.607   0.964
  237   1HB   LYS  34           HB2      LYS  34   4.547  -2.025  -0.574
  238   2HB   LYS  34           HB1      LYS  34   5.120  -2.439   1.043
  239   1HG   LYS  34           HG2      LYS  34   4.448  -4.833   0.577
  240   2HG   LYS  34           HG1      LYS  34   4.143  -4.351  -1.094
  241   1HD   LYS  34           HD2      LYS  34   6.757  -3.476  -0.063
  242   2HD   LYS  34           HD1      LYS  34   6.568  -5.228  -0.145
  243   1HE   LYS  34           HE2      LYS  34   7.213  -4.904  -2.318
  244   2HE   LYS  34           HE1      LYS  34   5.498  -4.549  -2.534
  245   1HZ   LYS  34           HZ2      LYS  34   6.712  -2.222  -1.624
  246   2HZ   LYS  34           HZ1      LYS  34   7.705  -2.830  -2.861
  247   3HZ   LYS  34           HZ3      LYS  34   6.065  -2.522  -3.166
  248    H    CYS  35           HN       CYS  35   2.589  -5.084   0.050
  249    HA   CYS  35           HA       CYS  35   1.363  -4.582  -2.444
  250   1HB   CYS  35           HB2      CYS  35   0.825  -7.029  -0.777
  251   2HB   CYS  35           HB1      CYS  35   0.922  -6.894  -2.525
  252    H    ASN  36           HN       ASN  36  -0.238  -5.764   0.538
  253    HA   ASN  36           HA       ASN  36  -2.869  -5.506  -0.352
  254   1HB   ASN  36           HB2      ASN  36  -1.709  -5.065   2.404
  255   2HB   ASN  36           HB1      ASN  36  -3.446  -5.094   2.084
  256   1HD2  ASN  36          HD22      ASN  36  -1.286  -8.573   1.788
  257   2HD2  ASN  36          HD21      ASN  36  -0.487  -7.078   1.847
  258    H    PHE  37           HN       PHE  37  -0.623  -2.934   0.382
  259    HA   PHE  37           HA       PHE  37  -2.719  -0.901   0.696
  260   1HB   PHE  37           HB2      PHE  37  -0.578  -0.507   1.736
  261   2HB   PHE  37           HB1      PHE  37   0.269  -0.665   0.353
  262    HD1  PHE  37           HD1      PHE  37  -2.857   1.159   1.031
  263    HD2  PHE  37           HD2      PHE  37   1.184   1.293  -0.309
  264    HE1  PHE  37           HE1      PHE  37  -3.169   3.565   0.397
  265    HE2  PHE  37           HE2      PHE  37   0.921   3.693  -0.928
  266    HZ   PHE  37           HZ       PHE  37  -1.264   4.820  -0.574
  267    H    CYS  38           HN       CYS  38  -0.280  -1.616  -1.663
  268    HA   CYS  38           HA       CYS  38  -1.006   0.229  -3.669
  269   1HB   CYS  38           HB2      CYS  38   0.507  -2.361  -3.670
  270   2HB   CYS  38           HB1      CYS  38   0.088  -1.603  -5.206
  271    H    ASN  39           HN       ASN  39  -2.366  -2.954  -2.927
  272    HA   ASN  39           HA       ASN  39  -3.757  -3.340  -5.387
  273   1HB   ASN  39           HB2      ASN  39  -3.907  -4.391  -2.628
  274   2HB   ASN  39           HB1      ASN  39  -5.430  -4.421  -3.501
  275   1HD2  ASN  39          HD22      ASN  39  -2.545  -7.016  -4.487
  276   2HD2  ASN  39          HD21      ASN  39  -2.362  -5.940  -3.197
  277    H    ALA  40           HN       ALA  40  -4.305  -1.366  -2.590
  278    HA   ALA  40           HA       ALA  40  -7.026  -0.580  -3.276
  279   1HB   ALA  40           HB3      ALA  40  -6.004  -0.517  -0.945
  280   2HB   ALA  40           HB2      ALA  40  -5.035   0.853  -1.485
  281   3HB   ALA  40           HB1      ALA  40  -6.794   0.980  -1.439
  282    H    VAL  41           HN       VAL  41  -3.758   0.502  -3.878
  283    HA   VAL  41           HA       VAL  41  -4.483   3.089  -5.013
  284    HB   VAL  41           HB       VAL  41  -1.968   1.407  -5.100
  285   1HG1  VAL  41          HG11      VAL  41  -2.740   3.673  -6.718
  286   2HG1  VAL  41          HG13      VAL  41  -1.375   4.099  -5.686
  287   3HG1  VAL  41          HG12      VAL  41  -1.258   2.720  -6.779
  288   1HG2  VAL  41          HG23      VAL  41  -2.828   2.493  -2.930
  289   2HG2  VAL  41          HG22      VAL  41  -1.167   2.853  -3.401
  290   3HG2  VAL  41          HG21      VAL  41  -2.444   4.036  -3.694
  291    H    VAL  42           HN       VAL  42  -4.201  -0.160  -6.204
  292    HA   VAL  42           HA       VAL  42  -4.091   0.702  -9.018
  293    HB   VAL  42           HB       VAL  42  -3.810  -1.636  -9.521
  294   1HG1  VAL  42          HG12      VAL  42  -2.201  -0.259  -7.620
  295   2HG1  VAL  42          HG11      VAL  42  -2.275  -1.950  -7.128
  296   3HG1  VAL  42          HG13      VAL  42  -1.705  -1.527  -8.741
  297   1HG2  VAL  42          HG21      VAL  42  -5.342  -1.931  -7.088
  298   2HG2  VAL  42          HG23      VAL  42  -5.060  -3.104  -8.372
  299   3HG2  VAL  42          HG22      VAL  42  -3.901  -2.938  -7.058
  300    H    GLU  43           HN       GLU  43  -6.425  -0.401  -6.670
  301    HA   GLU  43           HA       GLU  43  -8.458  -0.884  -8.756
  302   1HB   GLU  43           HB2      GLU  43  -8.061  -2.080  -6.354
  303   2HB   GLU  43           HB1      GLU  43  -9.228  -0.848  -5.887
  304   1HG   GLU  43           HG2      GLU  43 -10.486  -1.663  -8.063
  305   2HG   GLU  43           HG1      GLU  43  -9.544  -3.132  -7.800
  306    H    SER  44           HN       SER  44  -7.179   1.735  -7.118
  307    HA   SER  44           HA       SER  44  -9.771   3.205  -7.235
  308   1HB   SER  44           HB2      SER  44  -8.580   4.871  -5.742
  309   2HB   SER  44           HB1      SER  44  -8.857   3.293  -5.012
  310    HG   SER  44           HG       SER  44  -6.495   3.721  -6.448
  311    H    ASN  45           HN       ASN  45  -7.035   2.696  -9.010
  312    HA   ASN  45           HA       ASN  45  -6.289   3.821 -10.945
  313   1HB   ASN  45           HB2      ASN  45  -8.773   4.920 -10.614
  314   2HB   ASN  45           HB1      ASN  45  -7.745   6.331 -10.389
  315   1HD2  ASN  45          HD22      ASN  45  -8.459   5.290 -14.100
  316   2HD2  ASN  45          HD21      ASN  45  -9.478   5.045 -12.765
  317    H    GLY  46           HN       GLY  46  -5.540   4.274  -7.944
  318   1HA   GLY  46           HA2      GLY  46  -3.626   5.278  -7.007
  319   2HA   GLY  46           HA1      GLY  46  -3.368   6.153  -8.509
  320    H    THR  47           HN       THR  47  -6.555   6.570  -7.638
  321    HA   THR  47           HA       THR  47  -6.052   9.316  -6.741
  322    HB   THR  47           HB       THR  47  -7.986   8.593  -8.247
  323    HG1  THR  47           HG1      THR  47  -9.453   9.987  -7.107
  324   1HG2  THR  47          HG21      THR  47  -8.409   6.699  -6.330
  325   2HG2  THR  47          HG23      THR  47  -9.588   7.922  -5.856
  326   3HG2  THR  47          HG22      THR  47  -9.639   7.230  -7.478
  327    H    LEU  48           HN       LEU  48  -5.915   6.404  -5.216
  328    HA   LEU  48           HA       LEU  48  -7.329   7.053  -2.766
  329   1HB   LEU  48           HB2      LEU  48  -7.320   4.772  -3.217
  330   2HB   LEU  48           HB1      LEU  48  -5.693   4.809  -3.882
  331    HG   LEU  48           HG       LEU  48  -5.219   5.487  -1.277
  332   1HD1  LEU  48          HD11      LEU  48  -7.807   4.142  -1.462
  333   2HD1  LEU  48          HD13      LEU  48  -6.679   3.401  -0.328
  334   3HD1  LEU  48          HD12      LEU  48  -7.121   5.100  -0.148
  335   1HD2  LEU  48          HD23      LEU  48  -4.352   3.612  -2.927
  336   2HD2  LEU  48          HD22      LEU  48  -4.137   3.434  -1.186
  337   3HD2  LEU  48          HD21      LEU  48  -5.458   2.597  -2.002
  338    H    THR  49           HN       THR  49  -3.997   5.981  -3.050
  339    HA   THR  49           HA       THR  49  -1.994   6.885  -2.254
  340    HB   THR  49           HB       THR  49  -1.787   9.138  -1.892
  341    HG1  THR  49           HG1      THR  49  -2.937   9.521  -0.121
  342   1HG2  THR  49          HG21      THR  49  -3.404   8.453  -3.959
  343   2HG2  THR  49          HG23      THR  49  -4.410   9.634  -3.121
  344   3HG2  THR  49          HG22      THR  49  -2.798  10.085  -3.678
  345    H    LEU  50           HN       LEU  50  -1.171   7.575   0.057
  346    HA   LEU  50           HA       LEU  50  -2.996   6.274   1.997
  347   1HB   LEU  50           HB2      LEU  50  -1.401   4.758   2.353
  348   2HB   LEU  50           HB1      LEU  50  -0.462   5.494   1.072
  349    HG   LEU  50           HG       LEU  50  -0.321   6.622   3.854
  350   1HD1  LEU  50          HD11      LEU  50   1.087   4.221   2.719
  351   2HD1  LEU  50          HD13      LEU  50   1.608   5.076   4.170
  352   3HD1  LEU  50          HD12      LEU  50   0.037   4.272   4.136
  353   1HD2  LEU  50          HD22      LEU  50   0.738   7.501   1.539
  354   2HD2  LEU  50          HD21      LEU  50   1.595   7.648   3.074
  355   3HD2  LEU  50          HD23      LEU  50   1.975   6.322   1.975
  356    H    SER  51           HN       SER  51  -2.379   6.759   4.305
  357    HA   SER  51           HA       SER  51  -2.278   9.690   4.680
  358   1HB   SER  51           HB2      SER  51  -2.702   8.783   7.123
  359   2HB   SER  51           HB1      SER  51  -3.976   8.727   5.978
  360    HG   SER  51           HG       SER  51  -3.817   6.728   6.911
  361    H    HIS  52           HN       HIS  52  -0.703   6.743   5.666
  362    HA   HIS  52           HA       HIS  52   1.927   7.942   5.958
  363   1HB   HIS  52           HB2      HIS  52   2.108   7.664   8.401
  364   2HB   HIS  52           HB1      HIS  52   0.787   8.780   8.029
  365    HD1  HIS  52           HD1      HIS  52   1.045   6.633  10.546
  366    HD2  HIS  52           HD2      HIS  52  -1.397   6.354   7.189
  367    HE1  HIS  52           HE1      HIS  52  -0.846   5.035  11.122
  368    H    PHE  53           HN       PHE  53   3.415   6.250   7.049
  369    HA   PHE  53           HA       PHE  53   2.841   3.630   5.900
  370   1HB   PHE  53           HB2      PHE  53   5.126   4.681   7.595
  371   2HB   PHE  53           HB1      PHE  53   5.055   3.034   6.972
  372    HD1  PHE  53           HD2      PHE  53   4.861   6.604   5.862
  373    HD2  PHE  53           HD1      PHE  53   5.839   2.557   4.811
  374    HE1  PHE  53           HE2      PHE  53   5.758   7.386   3.687
  375    HE2  PHE  53           HE1      PHE  53   6.738   3.338   2.637
  376    HZ   PHE  53           HZ       PHE  53   6.697   5.753   2.073
  377    H    GLY  54           HN       GLY  54   3.619   1.756   7.658
  378   1HA   GLY  54           HA2      GLY  54   2.984   0.535   9.551
  379   2HA   GLY  54           HA1      GLY  54   2.706   2.053  10.349
  380    H    LYS  55           HN       LYS  55   0.864   0.780  11.261
  381    HA   LYS  55           HA       LYS  55  -1.440   0.481   9.433
  382   1HB   LYS  55           HB2      LYS  55  -2.387  -0.028  11.996
  383   2HB   LYS  55           HB1      LYS  55  -1.840  -1.243  10.848
  384   1HG   LYS  55           HG2      LYS  55   0.467  -1.024  11.768
  385   2HG   LYS  55           HG1      LYS  55  -0.144   0.124  12.959
  386   1HD   LYS  55           HD2      LYS  55  -0.728  -1.588  14.292
  387   2HD   LYS  55           HD1      LYS  55  -1.839  -2.161  13.047
  388   1HE   LYS  55           HE2      LYS  55  -0.500  -3.921  12.636
  389   2HE   LYS  55           HE1      LYS  55   0.836  -2.831  12.261
  390   1HZ   LYS  55           HZ3      LYS  55   0.483  -2.843  15.029
  391   2HZ   LYS  55           HZ2      LYS  55   0.503  -4.462  14.516
  392   3HZ   LYS  55           HZ1      LYS  55   1.801  -3.433  14.141
  393    H    CYS  56           HN       CYS  56  -3.466   1.573   9.869
  394    HA   CYS  56           HA       CYS  56  -3.310   4.336  10.242
  395   1HB   CYS  56           HB2      CYS  56  -5.697   2.671  11.074
  396   2HB   CYS  56           HB1      CYS  56  -5.700   4.331  10.479
   
  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           HT1      LEU   1  13.776   3.998  -0.234
    2   2H    LEU   1           HT3      LEU   1  14.457   2.495  -0.624
    3   3H    LEU   1           HT2      LEU   1  13.762   2.739   0.907
    4    HA   LEU   1           HA       LEU   1  15.915   3.022   1.494
    5   1HB   LEU   1           HB2      LEU   1  16.228   3.101  -1.323
    6   2HB   LEU   1           HB1      LEU   1  17.034   4.536  -0.686
    7    HG   LEU   1           HG       LEU   1  17.801   2.592   1.109
    8   1HD1  LEU   1          HD13      LEU   1  16.902   1.267  -1.280
    9   2HD1  LEU   1          HD12      LEU   1  18.650   1.079  -1.140
   10   3HD1  LEU   1          HD11      LEU   1  17.598   0.555   0.175
   11   1HD2  LEU   1          HD23      LEU   1  19.186   4.354  -0.020
   12   2HD2  LEU   1          HD22      LEU   1  19.983   2.781   0.045
   13   3HD2  LEU   1          HD21      LEU   1  19.240   3.333  -1.458
   14    H    ALA   2           HN       ALA   2  14.916   4.551   2.945
   15    HA   ALA   2           HA       ALA   2  14.694   6.683   3.904
   16   1HB   ALA   2           HB1      ALA   2  17.133   6.694   2.728
   17   2HB   ALA   2           HB3      ALA   2  16.353   7.982   1.809
   18   3HB   ALA   2           HB2      ALA   2  16.467   8.095   3.565
   19    H    ALA   3           HN       ALA   3  12.492   6.226   2.662
   20    HA   ALA   3           HA       ALA   3  11.809   8.750   1.331
   21   1HB   ALA   3           HB1      ALA   3  12.588   6.711  -0.325
   22   2HB   ALA   3           HB3      ALA   3  10.848   6.431  -0.225
   23   3HB   ALA   3           HB2      ALA   3  11.461   7.987  -0.787
   24    H    VAL   4           HN       VAL   4   9.389   8.835   0.943
   25    HA   VAL   4           HA       VAL   4   7.909   6.944   2.715
   26    HB   VAL   4           HB       VAL   4   6.657   8.792   3.691
   27   1HG1  VAL   4          HG11      VAL   4   9.658   9.233   3.722
   28   2HG1  VAL   4          HG13      VAL   4   8.536   9.984   4.856
   29   3HG1  VAL   4          HG12      VAL   4   8.726   8.231   4.837
   30   1HG2  VAL   4          HG23      VAL   4   7.980  10.265   1.492
   31   2HG2  VAL   4          HG22      VAL   4   6.423  10.559   2.266
   32   3HG2  VAL   4          HG21      VAL   4   7.909  11.129   3.026
   33    H    SER   5           HN       SER   5   7.533   6.134   0.395
   34    HA   SER   5           HA       SER   5   4.891   6.883  -0.443
   35   1HB   SER   5           HB2      SER   5   6.415   8.806  -1.305
   36   2HB   SER   5           HB1      SER   5   6.998   7.624  -2.471
   37    HG   SER   5           HG       SER   5   5.194   7.831  -3.520
   38    H    VAL   6           HN       VAL   6   4.102   4.998  -1.258
   39    HA   VAL   6           HA       VAL   6   6.022   2.960  -2.209
   40    HB   VAL   6           HB       VAL   6   3.021   2.659  -1.982
   41   1HG1  VAL   6          HG13      VAL   6   5.407   0.807  -2.062
   42   2HG1  VAL   6          HG12      VAL   6   3.845   0.272  -1.442
   43   3HG1  VAL   6          HG11      VAL   6   3.991   0.814  -3.115
   44   1HG2  VAL   6          HG23      VAL   6   4.881   3.232   0.117
   45   2HG2  VAL   6          HG22      VAL   6   3.174   2.811   0.262
   46   3HG2  VAL   6          HG21      VAL   6   4.399   1.542   0.265
   47    H    ASP   7           HN       ASP   7   6.026   2.147  -4.317
   48    HA   ASP   7           HA       ASP   7   4.820   3.906  -6.345
   49   1HB   ASP   7           HB2      ASP   7   6.287   2.855  -7.881
   50   2HB   ASP   7           HB1      ASP   7   7.216   2.943  -6.388
   51    H    CYS   8           HN       CYS   8   3.983   2.545  -8.384
   52    HA   CYS   8           HA       CYS   8   2.508   0.133  -7.633
   53   1HB   CYS   8           HB2      CYS   8   1.183   2.774  -8.026
   54   2HB   CYS   8           HB1      CYS   8   0.345   1.301  -8.503
   55    H    SER   9           HN       SER   9   4.535   0.650  -9.583
   56    HA   SER   9           HA       SER   9   3.123   0.838 -12.168
   57   1HB   SER   9           HB2      SER   9   5.638   0.305 -12.903
   58   2HB   SER   9           HB1      SER   9   5.133   1.924 -12.431
   59    HG   SER   9           HG       SER   9   6.592   1.731 -10.936
   60    H    GLU  10           HN       GLU  10   4.866  -1.512 -10.238
   61    HA   GLU  10           HA       GLU  10   4.449  -3.624 -12.254
   62   1HB   GLU  10           HB2      GLU  10   5.474  -4.119  -9.469
   63   2HB   GLU  10           HB1      GLU  10   5.900  -4.939 -10.972
   64   1HG   GLU  10           HG2      GLU  10   6.723  -2.169 -10.079
   65   2HG   GLU  10           HG1      GLU  10   7.767  -3.544 -10.437
   66    H    TYR  11           HN       TYR  11   2.605  -2.223  -9.845
   67    HA   TYR  11           HA       TYR  11   1.293  -4.690  -8.955
   68   1HB   TYR  11           HB2      TYR  11   0.956  -1.754  -8.344
   69   2HB   TYR  11           HB1      TYR  11  -0.202  -2.941  -7.765
   70    HD1  TYR  11           HD1      TYR  11   0.589  -4.817  -6.240
   71    HD2  TYR  11           HD2      TYR  11   3.115  -1.532  -7.375
   72    HE1  TYR  11           HE1      TYR  11   2.134  -5.352  -4.360
   73    HE2  TYR  11           HE2      TYR  11   4.654  -2.068  -5.509
   74    HH   TYR  11           HH       TYR  11   4.724  -3.210  -3.462
   75    HA   PRO  12           HA       PRO  12  -0.644  -4.677  -7.968
   76   1HB   PRO  12           HB2      PRO  12  -2.866  -6.289  -8.193
   77   2HB   PRO  12           HB1      PRO  12  -2.942  -4.561  -7.828
   78   1HG   PRO  12           HG2      PRO  12  -3.740  -5.948 -10.298
   79   2HG   PRO  12           HG1      PRO  12  -4.085  -4.282  -9.805
   80   1HD   PRO  12           HD2      PRO  12  -2.031  -5.237 -11.604
   81   2HD   PRO  12           HD1      PRO  12  -2.486  -3.591 -11.348
   82    H    LYS  13           HN       LYS  13   0.214  -6.600  -7.159
   83    HA   LYS  13           HA       LYS  13   0.951  -8.633  -9.204
   84   1HB   LYS  13           HB2      LYS  13   2.079  -8.816  -6.468
   85   2HB   LYS  13           HB1      LYS  13   2.882  -8.962  -8.028
   86   1HG   LYS  13           HG2      LYS  13   2.324  -6.369  -8.179
   87   2HG   LYS  13           HG1      LYS  13   2.310  -6.508  -6.420
   88   1HD   LYS  13           HD2      LYS  13   4.578  -7.455  -8.194
   89   2HD   LYS  13           HD1      LYS  13   4.565  -5.920  -7.324
   90   1HE   LYS  13           HE2      LYS  13   5.154  -6.923  -5.394
   91   2HE   LYS  13           HE1      LYS  13   3.872  -8.123  -5.562
   92   1HZ   LYS  13           HZ1      LYS  13   5.344  -9.261  -7.208
   93   2HZ   LYS  13           HZ3      LYS  13   6.589  -8.207  -6.742
   94   3HZ   LYS  13           HZ2      LYS  13   5.917  -9.277  -5.607
   95    HA   PRO  14           HA       PRO  14  -1.901 -11.443  -7.328
   96   1HB   PRO  14           HB2      PRO  14  -1.000 -13.716  -8.582
   97   2HB   PRO  14           HB1      PRO  14  -1.994 -12.487  -9.381
   98   1HG   PRO  14           HG2      PRO  14   0.919 -13.036  -9.687
   99   2HG   PRO  14           HG1      PRO  14  -0.210 -12.301 -10.836
  100   1HD   PRO  14           HD2      PRO  14   1.674 -10.920  -9.262
  101   2HD   PRO  14           HD1      PRO  14   0.339 -10.193 -10.129
  102    H    ALA  15           HN       ALA  15   1.079 -11.006  -6.319
  103    HA   ALA  15           HA       ALA  15   0.939 -13.153  -4.298
  104   1HB   ALA  15           HB1      ALA  15   3.293 -12.726  -6.161
  105   2HB   ALA  15           HB3      ALA  15   3.409 -13.625  -4.648
  106   3HB   ALA  15           HB2      ALA  15   2.358 -14.205  -5.940
  107    H    CYS  16           HN       CYS  16   1.395 -12.241  -2.333
  108    HA   CYS  16           HA       CYS  16   2.985  -9.703  -2.337
  109   1HB   CYS  16           HB2      CYS  16   0.671 -10.437  -0.519
  110   2HB   CYS  16           HB1      CYS  16   1.586  -8.933  -0.472
  111    H    THR  17           HN       THR  17   4.612  -9.557  -0.806
  112    HA   THR  17           HA       THR  17   5.750 -11.865   0.327
  113    HB   THR  17           HB       THR  17   6.625  -9.981   2.063
  114    HG1  THR  17           HG1      THR  17   5.261  -8.380   1.347
  115   1HG2  THR  17          HG23      THR  17   7.364 -10.412  -0.837
  116   2HG2  THR  17          HG22      THR  17   8.322  -9.406   0.250
  117   3HG2  THR  17          HG21      THR  17   8.118 -11.125   0.591
  118    H    LEU  18           HN       LEU  18   6.098 -11.789   2.969
  119    HA   LEU  18           HA       LEU  18   3.319 -11.821   4.078
  120   1HB   LEU  18           HB2      LEU  18   5.466 -13.491   5.322
  121   2HB   LEU  18           HB1      LEU  18   3.741 -13.818   5.167
  122    HG   LEU  18           HG       LEU  18   5.627 -13.800   2.798
  123   1HD1  LEU  18          HD11      LEU  18   6.073 -15.551   4.683
  124   2HD1  LEU  18          HD13      LEU  18   4.576 -16.294   4.121
  125   3HD1  LEU  18          HD12      LEU  18   5.940 -16.117   3.018
  126   1HD2  LEU  18          HD22      LEU  18   2.979 -13.574   2.735
  127   2HD2  LEU  18          HD21      LEU  18   3.822 -14.604   1.578
  128   3HD2  LEU  18          HD23      LEU  18   3.049 -15.318   2.993
  129    H    GLU  19           HN       GLU  19   6.690 -10.945   4.654
  130    HA   GLU  19           HA       GLU  19   6.730 -10.320   7.333
  131   1HB   GLU  19           HB2      GLU  19   8.350  -8.589   6.831
  132   2HB   GLU  19           HB1      GLU  19   8.618  -9.938   5.730
  133   1HG   GLU  19           HG2      GLU  19   6.706  -8.113   4.559
  134   2HG   GLU  19           HG1      GLU  19   8.141  -7.236   5.062
  135    H    TYR  20           HN       TYR  20   5.749  -8.835   8.607
  136    HA   TYR  20           HA       TYR  20   3.520  -7.373   7.384
  137   1HB   TYR  20           HB2      TYR  20   3.350  -8.663   9.562
  138   2HB   TYR  20           HB1      TYR  20   4.228  -7.334  10.313
  139    HD1  TYR  20           HD2      TYR  20   1.677  -7.217   7.560
  140    HD2  TYR  20           HD1      TYR  20   2.595  -6.261  11.651
  141    HE1  TYR  20           HE2      TYR  20  -0.435  -5.919   7.727
  142    HE2  TYR  20           HE1      TYR  20   0.485  -4.969  11.818
  143    HH   TYR  20           HH       TYR  20  -1.770  -4.966  10.641
  144    H    ARG  21           HN       ARG  21   3.504  -5.395   6.889
  145    HA   ARG  21           HA       ARG  21   4.946  -3.281   8.282
  146   1HB   ARG  21           HB2      ARG  21   5.698  -4.047   5.434
  147   2HB   ARG  21           HB1      ARG  21   6.126  -2.509   6.187
  148   1HG   ARG  21           HG2      ARG  21   7.064  -4.095   8.099
  149   2HG   ARG  21           HG1      ARG  21   7.150  -5.258   6.775
  150   1HD   ARG  21           HD2      ARG  21   8.184  -2.536   6.185
  151   2HD   ARG  21           HD1      ARG  21   9.137  -3.499   7.314
  152    HE   ARG  21           HE       ARG  21   8.659  -5.247   5.227
  153   1HH1  ARG  21          HH21      ARG  21  10.839  -2.871   6.057
  154   2HH1  ARG  21          HH22      ARG  21  11.472  -2.628   4.463
  155   1HH2  ARG  21          HH11      ARG  21   9.066  -4.594   2.921
  156   2HH2  ARG  21          HH12      ARG  21  10.471  -3.607   2.688
  157    HA   PRO  22           HA       PRO  22   0.751  -2.729   6.370
  158   1HB   PRO  22           HB2      PRO  22  -0.183  -1.368   8.606
  159   2HB   PRO  22           HB1      PRO  22  -0.322  -3.130   8.345
  160   1HG   PRO  22           HG2      PRO  22   1.606  -1.592  10.052
  161   2HG   PRO  22           HG1      PRO  22   0.908  -3.200  10.321
  162   1HD   PRO  22           HD2      PRO  22   3.482  -2.808   9.421
  163   2HD   PRO  22           HD1      PRO  22   2.528  -4.262   9.047
  164    H    LEU  23           HN       LEU  23   0.217  -1.007   5.121
  165    HA   LEU  23           HA       LEU  23   1.367   1.636   5.925
  166   1HB   LEU  23           HB2      LEU  23   0.594   0.494   3.210
  167   2HB   LEU  23           HB1      LEU  23   1.134   2.153   3.467
  168    HG   LEU  23           HG       LEU  23   3.084   0.761   4.782
  169   1HD1  LEU  23          HD11      LEU  23   2.150  -0.902   2.434
  170   2HD1  LEU  23          HD13      LEU  23   3.723  -1.089   3.210
  171   3HD1  LEU  23          HD12      LEU  23   2.246  -1.407   4.121
  172   1HD2  LEU  23          HD23      LEU  23   2.820   1.781   1.981
  173   2HD2  LEU  23          HD22      LEU  23   3.819   2.388   3.303
  174   3HD2  LEU  23          HD21      LEU  23   4.285   0.918   2.445
  175    H    CYS  24           HN       CYS  24  -0.282   3.514   5.486
  176    HA   CYS  24           HA       CYS  24  -3.068   2.398   5.746
  177   1HB   CYS  24           HB2      CYS  24  -2.416   3.434   7.835
  178   2HB   CYS  24           HB1      CYS  24  -1.884   4.865   6.987
  179    H    GLY  25           HN       GLY  25  -4.652   3.208   4.401
  180   1HA   GLY  25           HA2      GLY  25  -3.823   5.111   2.285
  181   2HA   GLY  25           HA1      GLY  25  -5.156   4.103   2.246
  182    H    SER  26           HN       SER  26  -5.361   6.757   1.557
  183    HA   SER  26           HA       SER  26  -6.238   8.414   3.753
  184   1HB   SER  26           HB2      SER  26  -5.564   9.303   1.502
  185   2HB   SER  26           HB1      SER  26  -7.046   8.625   0.833
  186    HG   SER  26           HG       SER  26  -6.800  10.580   2.880
  187    H    ASP  27           HN       ASP  27  -7.776   6.002   1.735
  188    HA   ASP  27           HA       ASP  27 -10.506   6.622   2.269
  189   1HB   ASP  27           HB2      ASP  27 -10.827   4.097   1.940
  190   2HB   ASP  27           HB1      ASP  27 -10.070   4.965   0.605
  191    H    ASN  28           HN       ASN  28  -8.003   5.571   4.319
  192    HA   ASN  28           HA       ASN  28  -8.088   5.437   6.676
  193   1HB   ASN  28           HB2      ASN  28 -10.445   6.488   6.443
  194   2HB   ASN  28           HB1      ASN  28 -11.039   4.829   6.528
  195   1HD2  ASN  28          HD22      ASN  28 -10.622   4.630  10.016
  196   2HD2  ASN  28          HD21      ASN  28 -11.276   3.954   8.604
  197    H    LYS  29           HN       LYS  29  -8.362   3.256   4.387
  198    HA   LYS  29           HA       LYS  29  -8.922   0.964   6.174
  199   1HB   LYS  29           HB2      LYS  29  -9.973   1.048   3.889
  200   2HB   LYS  29           HB1      LYS  29  -8.350   0.957   3.201
  201   1HG   LYS  29           HG2      LYS  29  -7.951  -1.178   4.172
  202   2HG   LYS  29           HG1      LYS  29  -9.380  -1.048   5.194
  203   1HD   LYS  29           HD2      LYS  29 -10.522  -2.145   3.585
  204   2HD   LYS  29           HD1      LYS  29 -10.340  -0.705   2.582
  205   1HE   LYS  29           HE2      LYS  29  -8.090  -2.691   2.740
  206   2HE   LYS  29           HE1      LYS  29  -9.468  -3.018   1.688
  207   1HZ   LYS  29           HZ1      LYS  29  -8.037  -0.431   1.622
  208   2HZ   LYS  29           HZ3      LYS  29  -7.523  -1.755   0.695
  209   3HZ   LYS  29           HZ2      LYS  29  -9.070  -1.097   0.451
  210    H    THR  30           HN       THR  30  -7.236  -0.098   7.039
  211    HA   THR  30           HA       THR  30  -4.498   0.692   6.348
  212    HB   THR  30           HB       THR  30  -5.646  -1.325   8.303
  213    HG1  THR  30           HG1      THR  30  -5.659   0.336   9.551
  214   1HG2  THR  30          HG22      THR  30  -3.304  -1.853   7.302
  215   2HG2  THR  30          HG21      THR  30  -2.762  -0.453   8.227
  216   3HG2  THR  30          HG23      THR  30  -3.476  -1.835   9.056
  217    H    TYR  31           HN       TYR  31  -3.214  -0.415   4.915
  218    HA   TYR  31           HA       TYR  31  -4.285  -2.944   3.830
  219   1HB   TYR  31           HB2      TYR  31  -1.912  -2.238   2.452
  220   2HB   TYR  31           HB1      TYR  31  -3.545  -2.179   1.872
  221    HD1  TYR  31           HD2      TYR  31  -0.923  -0.322   3.425
  222    HD2  TYR  31           HD1      TYR  31  -4.787  -0.031   1.680
  223    HE1  TYR  31           HE2      TYR  31  -0.674   2.162   3.203
  224    HE2  TYR  31           HE1      TYR  31  -4.544   2.406   1.449
  225    HH   TYR  31           HH       TYR  31  -1.496   3.918   1.828
  226    H    GLY  32           HN       GLY  32  -3.239  -4.887   4.154
  227   1HA   GLY  32           HA2      GLY  32  -1.829  -5.452   6.397
  228   2HA   GLY  32           HA1      GLY  32  -1.597  -6.388   4.931
  229    H    ASN  33           HN       ASN  33  -0.253  -4.429   3.357
  230    HA   ASN  33           HA       ASN  33   1.933  -3.277   4.798
  231   1HB   ASN  33           HB2      ASN  33   3.681  -4.903   4.127
  232   2HB   ASN  33           HB1      ASN  33   2.465  -5.673   5.138
  233   1HD2  ASN  33          HD22      ASN  33   2.160  -8.132   2.631
  234   2HD2  ASN  33          HD21      ASN  33   2.597  -7.781   4.233
  235    H    LYS  34           HN       LYS  34   3.858  -3.891   2.622
  236    HA   LYS  34           HA       LYS  34   3.221  -1.705   0.968
  237   1HB   LYS  34           HB2      LYS  34   4.946  -2.960  -0.646
  238   2HB   LYS  34           HB1      LYS  34   5.477  -2.161   0.831
  239   1HG   LYS  34           HG2      LYS  34   5.905  -4.137   1.910
  240   2HG   LYS  34           HG1      LYS  34   4.589  -4.987   1.107
  241   1HD   LYS  34           HD2      LYS  34   7.243  -4.225  -0.148
  242   2HD   LYS  34           HD1      LYS  34   6.746  -5.852   0.321
  243   1HE   LYS  34           HE2      LYS  34   4.708  -5.441  -1.240
  244   2HE   LYS  34           HE1      LYS  34   5.678  -4.129  -1.910
  245   1HZ   LYS  34           HZ3      LYS  34   7.381  -6.274  -1.738
  246   2HZ   LYS  34           HZ2      LYS  34   5.923  -6.933  -2.311
  247   3HZ   LYS  34           HZ1      LYS  34   6.670  -5.657  -3.148
  248    H    CYS  35           HN       CYS  35   3.239  -5.158  -0.080
  249    HA   CYS  35           HA       CYS  35   1.924  -4.771  -2.527
  250   1HB   CYS  35           HB2      CYS  35   2.969  -6.915  -1.613
  251   2HB   CYS  35           HB1      CYS  35   1.473  -7.144  -0.712
  252    H    ASN  36           HN       ASN  36   0.391  -5.756   0.579
  253    HA   ASN  36           HA       ASN  36  -2.290  -5.588  -0.274
  254   1HB   ASN  36           HB2      ASN  36  -1.651  -4.485   2.432
  255   2HB   ASN  36           HB1      ASN  36  -2.912  -5.620   1.955
  256   1HD2  ASN  36          HD22      ASN  36  -0.397  -8.357   1.753
  257   2HD2  ASN  36          HD21      ASN  36  -1.477  -7.616   0.683
  258    H    PHE  37           HN       PHE  37   0.016  -3.068   0.347
  259    HA   PHE  37           HA       PHE  37  -1.983  -0.993   0.614
  260   1HB   PHE  37           HB2      PHE  37   0.109  -0.521   1.604
  261   2HB   PHE  37           HB1      PHE  37   0.995  -0.812   0.261
  262    HD1  PHE  37           HD1      PHE  37  -2.194   0.857   0.431
  263    HD2  PHE  37           HD2      PHE  37   1.978   1.349  -0.218
  264    HE1  PHE  37           HE1      PHE  37  -2.634   3.182  -0.233
  265    HE2  PHE  37           HE2      PHE  37   1.599   3.719  -0.911
  266    HZ   PHE  37           HZ       PHE  37  -0.717   4.642  -0.927
  267    H    CYS  38           HN       CYS  38   0.498  -1.350  -1.838
  268    HA   CYS  38           HA       CYS  38  -0.545   0.464  -3.653
  269   1HB   CYS  38           HB2      CYS  38   1.631  -0.547  -4.050
  270   2HB   CYS  38           HB1      CYS  38   0.881  -2.123  -4.330
  271    H    ASN  39           HN       ASN  39  -1.388  -3.031  -3.409
  272    HA   ASN  39           HA       ASN  39  -3.132  -3.198  -5.596
  273   1HB   ASN  39           HB2      ASN  39  -2.942  -4.486  -2.920
  274   2HB   ASN  39           HB1      ASN  39  -4.499  -4.610  -3.721
  275   1HD2  ASN  39          HD22      ASN  39  -1.708  -7.115  -4.862
  276   2HD2  ASN  39          HD21      ASN  39  -1.793  -6.356  -3.351
  277    H    ALA  40           HN       ALA  40  -3.542  -1.696  -2.460
  278    HA   ALA  40           HA       ALA  40  -6.316  -1.034  -2.624
  279   1HB   ALA  40           HB3      ALA  40  -4.771  -0.853  -0.571
  280   2HB   ALA  40           HB2      ALA  40  -4.169   0.644  -1.279
  281   3HB   ALA  40           HB1      ALA  40  -5.866   0.506  -0.820
  282    H    VAL  41           HN       VAL  41  -3.370   0.710  -3.580
  283    HA   VAL  41           HA       VAL  41  -4.640   3.063  -4.598
  284    HB   VAL  41           HB       VAL  41  -2.076   1.730  -5.537
  285   1HG1  VAL  41          HG13      VAL  41  -3.388   3.842  -6.689
  286   2HG1  VAL  41          HG12      VAL  41  -2.325   4.668  -5.549
  287   3HG1  VAL  41          HG11      VAL  41  -1.645   3.588  -6.768
  288   1HG2  VAL  41          HG23      VAL  41  -2.158   2.142  -3.087
  289   2HG2  VAL  41          HG22      VAL  41  -0.960   3.153  -3.895
  290   3HG2  VAL  41          HG21      VAL  41  -2.510   3.840  -3.406
  291    H    VAL  42           HN       VAL  42  -3.293   0.308  -6.436
  292    HA   VAL  42           HA       VAL  42  -4.268   0.955  -8.961
  293    HB   VAL  42           HB       VAL  42  -3.876  -1.328  -9.549
  294   1HG1  VAL  42          HG12      VAL  42  -2.046   0.054  -7.922
  295   2HG1  VAL  42          HG11      VAL  42  -2.059  -1.599  -7.309
  296   3HG1  VAL  42          HG13      VAL  42  -1.689  -1.290  -9.005
  297   1HG2  VAL  42          HG23      VAL  42  -5.440  -2.211  -7.763
  298   2HG2  VAL  42          HG22      VAL  42  -3.982  -3.156  -8.015
  299   3HG2  VAL  42          HG21      VAL  42  -4.094  -2.069  -6.638
  300    H    GLU  43           HN       GLU  43  -6.051  -0.392  -6.219
  301    HA   GLU  43           HA       GLU  43  -8.380  -0.981  -7.935
  302   1HB   GLU  43           HB2      GLU  43  -7.427  -2.185  -5.678
  303   2HB   GLU  43           HB1      GLU  43  -8.656  -1.137  -4.996
  304   1HG   GLU  43           HG2      GLU  43  -9.101  -3.039  -7.303
  305   2HG   GLU  43           HG1      GLU  43  -9.559  -3.362  -5.631
  306    H    SER  44           HN       SER  44  -7.144   1.502  -5.922
  307    HA   SER  44           HA       SER  44  -9.798   2.783  -5.650
  308   1HB   SER  44           HB2      SER  44  -8.336   2.736  -3.659
  309   2HB   SER  44           HB1      SER  44  -7.095   3.613  -4.551
  310    HG   SER  44           HG       SER  44  -8.157   5.389  -4.206
  311    H    ASN  45           HN       ASN  45  -7.735   2.597  -8.088
  312    HA   ASN  45           HA       ASN  45  -7.284   3.953  -9.934
  313   1HB   ASN  45           HB2      ASN  45  -9.495   5.537  -8.611
  314   2HB   ASN  45           HB1      ASN  45  -8.753   6.019 -10.131
  315   1HD2  ASN  45          HD22      ASN  45 -10.629   3.715 -12.017
  316   2HD2  ASN  45          HD21      ASN  45  -9.630   5.088 -12.002
  317    H    GLY  46           HN       GLY  46  -5.905   4.290  -7.286
  318   1HA   GLY  46           HA2      GLY  46  -4.158   5.610  -6.482
  319   2HA   GLY  46           HA1      GLY  46  -4.218   6.508  -7.986
  320    H    THR  47           HN       THR  47  -7.121   6.251  -6.143
  321    HA   THR  47           HA       THR  47  -6.849   9.116  -5.360
  322    HB   THR  47           HB       THR  47  -9.163   9.311  -5.541
  323    HG1  THR  47           HG1      THR  47  -9.303   6.504  -5.170
  324   1HG2  THR  47          HG22      THR  47  -7.873   7.990  -7.616
  325   2HG2  THR  47          HG21      THR  47  -9.333   7.037  -7.362
  326   3HG2  THR  47          HG23      THR  47  -9.456   8.761  -7.710
  327    H    LEU  48           HN       LEU  48  -5.912   6.454  -4.071
  328    HA   LEU  48           HA       LEU  48  -7.354   6.585  -1.499
  329   1HB   LEU  48           HB2      LEU  48  -6.859   4.376  -1.381
  330   2HB   LEU  48           HB1      LEU  48  -6.202   4.511  -3.002
  331    HG   LEU  48           HG       LEU  48  -3.995   5.181  -1.925
  332   1HD1  LEU  48          HD12      LEU  48  -5.696   4.792   0.448
  333   2HD1  LEU  48          HD11      LEU  48  -4.126   3.996   0.537
  334   3HD1  LEU  48          HD13      LEU  48  -4.219   5.736   0.269
  335   1HD2  LEU  48          HD21      LEU  48  -4.915   2.779  -2.637
  336   2HD2  LEU  48          HD23      LEU  48  -3.330   2.992  -1.900
  337   3HD2  LEU  48          HD22      LEU  48  -4.693   2.476  -0.913
  338    H    THR  49           HN       THR  49  -4.081   6.847  -2.734
  339    HA   THR  49           HA       THR  49  -2.156   7.813  -1.915
  340    HB   THR  49           HB       THR  49  -2.506   9.989  -0.790
  341    HG1  THR  49           HG1      THR  49  -4.522  10.676  -0.363
  342   1HG2  THR  49          HG23      THR  49  -2.410   9.747  -3.237
  343   2HG2  THR  49          HG22      THR  49  -4.158   9.512  -3.270
  344   3HG2  THR  49          HG21      THR  49  -3.484  11.061  -2.757
  345    H    LEU  50           HN       LEU  50  -0.864   7.166  -0.383
  346    HA   LEU  50           HA       LEU  50  -1.768   5.954   2.059
  347   1HB   LEU  50           HB2      LEU  50   0.255   5.145   1.110
  348   2HB   LEU  50           HB1      LEU  50   0.900   6.767   0.888
  349    HG   LEU  50           HG       LEU  50   0.801   6.909   3.494
  350   1HD1  LEU  50          HD11      LEU  50   0.007   4.151   2.926
  351   2HD1  LEU  50          HD13      LEU  50   1.403   4.242   4.000
  352   3HD1  LEU  50          HD12      LEU  50  -0.100   5.057   4.436
  353   1HD2  LEU  50          HD21      LEU  50   2.741   5.107   2.023
  354   2HD2  LEU  50          HD23      LEU  50   2.855   6.861   2.156
  355   3HD2  LEU  50          HD22      LEU  50   3.037   5.854   3.593
  356    H    SER  51           HN       SER  51  -1.253   6.821   4.238
  357    HA   SER  51           HA       SER  51  -1.129   9.807   4.271
  358   1HB   SER  51           HB2      SER  51  -3.158   8.234   5.328
  359   2HB   SER  51           HB1      SER  51  -2.111   8.472   6.693
  360    HG   SER  51           HG       SER  51  -3.848  10.151   5.788
  361    H    HIS  52           HN       HIS  52   0.259   6.833   5.284
  362    HA   HIS  52           HA       HIS  52   2.700   7.926   6.171
  363   1HB   HIS  52           HB2      HIS  52   2.497   7.697   8.608
  364   2HB   HIS  52           HB1      HIS  52   1.299   8.851   8.023
  365    HD1  HIS  52           HD1      HIS  52   1.095   6.817  10.597
  366    HD2  HIS  52           HD2      HIS  52  -0.844   6.461   6.915
  367    HE1  HIS  52           HE1      HIS  52  -0.907   5.303  10.970
  368    H    PHE  53           HN       PHE  53   4.045   6.233   7.188
  369    HA   PHE  53           HA       PHE  53   3.398   3.596   6.154
  370   1HB   PHE  53           HB2      PHE  53   5.695   4.699   7.777
  371   2HB   PHE  53           HB1      PHE  53   5.556   2.978   7.408
  372    HD1  PHE  53           HD2      PHE  53   5.234   6.280   5.669
  373    HD2  PHE  53           HD1      PHE  53   6.585   2.210   5.460
  374    HE1  PHE  53           HE2      PHE  53   6.139   6.701   3.405
  375    HE2  PHE  53           HE1      PHE  53   7.496   2.630   3.190
  376    HZ   PHE  53           HZ       PHE  53   7.272   4.876   2.160
  377    H    GLY  54           HN       GLY  54   3.038   1.730   7.395
  378   1HA   GLY  54           HA2      GLY  54   2.650   0.538   9.479
  379   2HA   GLY  54           HA1      GLY  54   2.458   2.057  10.286
  380    H    LYS  55           HN       LYS  55   0.459   0.936  11.114
  381    HA   LYS  55           HA       LYS  55  -1.758   0.815   9.165
  382   1HB   LYS  55           HB2      LYS  55  -2.292   0.509  12.076
  383   2HB   LYS  55           HB1      LYS  55  -2.884  -0.451  10.720
  384   1HG   LYS  55           HG2      LYS  55  -0.299  -1.124  10.566
  385   2HG   LYS  55           HG1      LYS  55  -0.358  -0.732  12.284
  386   1HD   LYS  55           HD2      LYS  55  -2.007  -2.785  10.796
  387   2HD   LYS  55           HD1      LYS  55  -0.882  -3.057  12.127
  388   1HE   LYS  55           HE2      LYS  55  -2.393  -1.597  13.556
  389   2HE   LYS  55           HE1      LYS  55  -3.568  -1.666  12.243
  390   1HZ   LYS  55           HZ3      LYS  55  -2.963  -4.242  12.512
  391   2HZ   LYS  55           HZ2      LYS  55  -2.754  -3.726  14.117
  392   3HZ   LYS  55           HZ1      LYS  55  -4.244  -3.493  13.335
  393    H    CYS  56           HN       CYS  56  -3.753   2.054   9.581
  394    HA   CYS  56           HA       CYS  56  -3.286   4.825   9.980
  395   1HB   CYS  56           HB2      CYS  56  -5.959   3.501  10.473
  396   2HB   CYS  56           HB1      CYS  56  -5.640   5.109   9.826
   
  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           HT1      LEU   1  10.323  18.774   0.654
    2   2H    LEU   1           HT3      LEU   1  11.534  17.997  -0.243
    3   3H    LEU   1           HT2      LEU   1  10.150  18.593  -1.026
    4    HA   LEU   1           HA       LEU   1   8.772  16.948  -0.161
    5   1HB   LEU   1           HB2      LEU   1  11.186  16.256  -1.500
    6   2HB   LEU   1           HB1      LEU   1  10.888  15.008  -0.290
    7    HG   LEU   1           HG       LEU   1   8.497  14.910  -1.146
    8   1HD1  LEU   1          HD13      LEU   1   9.756  16.611  -3.315
    9   2HD1  LEU   1          HD12      LEU   1   8.217  15.770  -3.496
   10   3HD1  LEU   1          HD11      LEU   1   8.390  17.043  -2.287
   11   1HD2  LEU   1          HD22      LEU   1  10.218  13.234  -1.762
   12   2HD2  LEU   1          HD21      LEU   1   9.104  13.529  -3.096
   13   3HD2  LEU   1          HD23      LEU   1  10.712  14.251  -3.115
   14    H    ALA   2           HN       ALA   2   8.199  15.587   1.573
   15    HA   ALA   2           HA       ALA   2  10.177  15.084   3.703
   16   1HB   ALA   2           HB3      ALA   2   8.512  17.331   3.857
   17   2HB   ALA   2           HB2      ALA   2   7.736  16.129   4.888
   18   3HB   ALA   2           HB1      ALA   2   9.409  16.597   5.187
   19    H    ALA   3           HN       ALA   3   6.753  14.851   2.723
   20    HA   ALA   3           HA       ALA   3   6.031  12.709   4.442
   21   1HB   ALA   3           HB3      ALA   3   4.497  14.117   2.952
   22   2HB   ALA   3           HB2      ALA   3   4.981  13.060   1.627
   23   3HB   ALA   3           HB1      ALA   3   4.136  12.392   3.024
   24    H    VAL   4           HN       VAL   4   5.359  10.475   3.343
   25    HA   VAL   4           HA       VAL   4   7.538   9.530   1.553
   26    HB   VAL   4           HB       VAL   4   6.715   7.953   3.992
   27   1HG1  VAL   4          HG12      VAL   4   8.306   7.438   1.709
   28   2HG1  VAL   4          HG11      VAL   4   9.426   7.636   3.056
   29   3HG1  VAL   4          HG13      VAL   4   8.143   6.430   3.146
   30   1HG2  VAL   4          HG21      VAL   4   8.728  10.166   3.715
   31   2HG2  VAL   4          HG23      VAL   4   7.631   9.823   5.052
   32   3HG2  VAL   4          HG22      VAL   4   9.060   8.820   4.805
   33    H    SER   5           HN       SER   5   6.436   8.705  -0.164
   34    HA   SER   5           HA       SER   5   4.008   7.055   0.421
   35   1HB   SER   5           HB2      SER   5   4.067   8.168  -2.268
   36   2HB   SER   5           HB1      SER   5   2.793   8.251  -1.055
   37    HG   SER   5           HG       SER   5   3.584  10.105  -0.336
   38    H    VAL   6           HN       VAL   6   3.729   5.196  -0.932
   39    HA   VAL   6           HA       VAL   6   6.264   4.302  -2.223
   40    HB   VAL   6           HB       VAL   6   3.849   2.687  -1.346
   41   1HG1  VAL   6          HG11      VAL   6   6.470   2.018  -2.656
   42   2HG1  VAL   6          HG13      VAL   6   5.716   0.849  -1.572
   43   3HG1  VAL   6          HG12      VAL   6   4.857   1.397  -3.011
   44   1HG2  VAL   6          HG23      VAL   6   5.244   3.777   0.482
   45   2HG2  VAL   6          HG22      VAL   6   5.172   2.016   0.549
   46   3HG2  VAL   6          HG21      VAL   6   6.606   2.817  -0.096
   47    H    ASP   7           HN       ASP   7   6.296   3.777  -4.392
   48    HA   ASP   7           HA       ASP   7   4.025   4.658  -6.016
   49   1HB   ASP   7           HB2      ASP   7   6.341   5.092  -6.752
   50   2HB   ASP   7           HB1      ASP   7   6.648   3.355  -6.816
   51    H    CYS   8           HN       CYS   8   3.053   3.203  -7.672
   52    HA   CYS   8           HA       CYS   8   3.168   0.326  -6.903
   53   1HB   CYS   8           HB2      CYS   8   0.648   1.924  -7.448
   54   2HB   CYS   8           HB1      CYS   8   0.715   0.191  -7.145
   55    H    SER   9           HN       SER   9   4.642   0.993  -8.992
   56    HA   SER   9           HA       SER   9   3.035   0.978 -11.461
   57   1HB   SER   9           HB2      SER   9   4.868   2.226 -11.993
   58   2HB   SER   9           HB1      SER   9   5.856   1.475 -10.743
   59    HG   SER   9           HG       SER   9   6.669   0.323 -12.289
   60    H    GLU  10           HN       GLU  10   4.913  -1.213  -9.513
   61    HA   GLU  10           HA       GLU  10   4.682  -3.353 -11.559
   62   1HB   GLU  10           HB2      GLU  10   5.965  -3.460  -8.811
   63   2HB   GLU  10           HB1      GLU  10   6.136  -4.651 -10.100
   64   1HG   GLU  10           HG2      GLU  10   7.937  -3.494 -10.809
   65   2HG   GLU  10           HG1      GLU  10   6.827  -2.211 -11.292
   66    H    TYR  11           HN       TYR  11   2.347  -2.222 -10.153
   67    HA   TYR  11           HA       TYR  11   1.415  -4.663  -8.728
   68   1HB   TYR  11           HB2      TYR  11   0.978  -1.721  -8.230
   69   2HB   TYR  11           HB1      TYR  11  -0.201  -2.885  -7.651
   70    HD1  TYR  11           HD1      TYR  11   0.518  -4.722  -6.078
   71    HD2  TYR  11           HD2      TYR  11   3.138  -1.514  -7.217
   72    HE1  TYR  11           HE1      TYR  11   2.039  -5.296  -4.206
   73    HE2  TYR  11           HE2      TYR  11   4.647  -2.075  -5.331
   74    HH   TYR  11           HH       TYR  11   5.116  -4.330  -3.969
   75    HA   PRO  12           HA       PRO  12  -0.596  -4.606  -7.712
   76   1HB   PRO  12           HB2      PRO  12  -2.866  -6.152  -7.792
   77   2HB   PRO  12           HB1      PRO  12  -2.887  -4.395  -7.601
   78   1HG   PRO  12           HG2      PRO  12  -3.709  -5.995  -9.936
   79   2HG   PRO  12           HG1      PRO  12  -4.032  -4.288  -9.592
   80   1HD   PRO  12           HD2      PRO  12  -2.003  -5.415 -11.321
   81   2HD   PRO  12           HD1      PRO  12  -2.408  -3.725 -11.145
   82    H    LYS  13           HN       LYS  13  -0.592  -6.772  -6.593
   83    HA   LYS  13           HA       LYS  13   0.386  -8.936  -8.415
   84   1HB   LYS  13           HB2      LYS  13   1.313  -8.306  -5.598
   85   2HB   LYS  13           HB1      LYS  13   1.936  -9.583  -6.637
   86   1HG   LYS  13           HG2      LYS  13   2.343  -7.602  -8.326
   87   2HG   LYS  13           HG1      LYS  13   2.305  -6.621  -6.862
   88   1HD   LYS  13           HD2      LYS  13   4.306  -7.408  -6.141
   89   2HD   LYS  13           HD1      LYS  13   3.926  -9.065  -6.613
   90   1HE   LYS  13           HE2      LYS  13   4.663  -8.743  -8.815
   91   2HE   LYS  13           HE1      LYS  13   4.501  -6.990  -8.714
   92   1HZ   LYS  13           HZ2      LYS  13   6.285  -7.798  -6.731
   93   2HZ   LYS  13           HZ1      LYS  13   6.757  -8.565  -8.172
   94   3HZ   LYS  13           HZ3      LYS  13   6.613  -6.876  -8.119
   95    HA   PRO  14           HA       PRO  14  -2.881 -11.194  -6.446
   96   1HB   PRO  14           HB2      PRO  14  -2.314 -13.625  -7.594
   97   2HB   PRO  14           HB1      PRO  14  -3.132 -12.304  -8.444
   98   1HG   PRO  14           HG2      PRO  14  -0.337 -13.278  -8.743
   99   2HG   PRO  14           HG1      PRO  14  -1.354 -12.413  -9.906
  100   1HD   PRO  14           HD2      PRO  14   0.726 -11.302  -8.365
  101   2HD   PRO  14           HD1      PRO  14  -0.457 -10.401  -9.279
  102    H    ALA  15           HN       ALA  15   0.109 -11.127  -5.404
  103    HA   ALA  15           HA       ALA  15  -0.332 -12.776  -3.101
  104   1HB   ALA  15           HB1      ALA  15   0.090 -14.580  -4.767
  105   2HB   ALA  15           HB3      ALA  15   1.666 -13.867  -5.105
  106   3HB   ALA  15           HB2      ALA  15   1.324 -14.531  -3.508
  107    H    CYS  16           HN       CYS  16   0.859 -11.799  -1.527
  108    HA   CYS  16           HA       CYS  16   3.280 -10.260  -2.382
  109   1HB   CYS  16           HB2      CYS  16   1.436  -8.926  -1.335
  110   2HB   CYS  16           HB1      CYS  16   1.601  -9.908   0.119
  111    H    THR  17           HN       THR  17   5.093 -10.249  -0.835
  112    HA   THR  17           HA       THR  17   5.769 -12.879   0.110
  113    HB   THR  17           HB       THR  17   7.736 -11.776   1.117
  114    HG1  THR  17           HG1      THR  17   6.770  -9.927   1.907
  115   1HG2  THR  17          HG22      THR  17   6.909 -10.799  -1.622
  116   2HG2  THR  17          HG21      THR  17   8.528 -10.557  -0.964
  117   3HG2  THR  17          HG23      THR  17   7.920 -12.191  -1.232
  118    H    LEU  18           HN       LEU  18   6.860 -11.966   2.759
  119    HA   LEU  18           HA       LEU  18   4.247 -11.816   4.181
  120   1HB   LEU  18           HB2      LEU  18   5.593 -13.009   6.065
  121   2HB   LEU  18           HB1      LEU  18   5.026 -13.965   4.701
  122    HG   LEU  18           HG       LEU  18   7.421 -14.379   5.372
  123   1HD1  LEU  18          HD13      LEU  18   6.283 -14.112   2.798
  124   2HD1  LEU  18          HD12      LEU  18   7.940 -13.514   2.706
  125   3HD1  LEU  18          HD11      LEU  18   7.624 -15.147   3.290
  126   1HD2  LEU  18          HD22      LEU  18   7.741 -11.783   5.687
  127   2HD2  LEU  18          HD21      LEU  18   9.083 -12.787   5.149
  128   3HD2  LEU  18          HD23      LEU  18   8.168 -11.844   3.978
  129    H    GLU  19           HN       GLU  19   7.249 -10.269   3.670
  130    HA   GLU  19           HA       GLU  19   7.944  -9.120   6.087
  131   1HB   GLU  19           HB2      GLU  19   7.793  -7.967   3.307
  132   2HB   GLU  19           HB1      GLU  19   8.339  -6.985   4.669
  133   1HG   GLU  19           HG2      GLU  19  10.333  -8.006   4.704
  134   2HG   GLU  19           HG1      GLU  19   9.588  -9.600   4.699
  135    H    TYR  20           HN       TYR  20   6.734  -8.124   7.572
  136    HA   TYR  20           HA       TYR  20   4.112  -7.057   6.764
  137   1HB   TYR  20           HB2      TYR  20   4.390  -8.462   8.816
  138   2HB   TYR  20           HB1      TYR  20   5.244  -7.113   9.559
  139    HD1  TYR  20           HD2      TYR  20   2.295  -7.172   7.247
  140    HD2  TYR  20           HD1      TYR  20   3.773  -6.203  11.165
  141    HE1  TYR  20           HE2      TYR  20   0.114  -6.119   7.805
  142    HE2  TYR  20           HE1      TYR  20   1.597  -5.151  11.722
  143    HH   TYR  20           HH       TYR  20  -1.189  -5.611   9.902
  144    H    ARG  21           HN       ARG  21   3.904  -5.118   6.189
  145    HA   ARG  21           HA       ARG  21   5.168  -2.872   7.614
  146   1HB   ARG  21           HB2      ARG  21   5.378  -2.795   4.623
  147   2HB   ARG  21           HB1      ARG  21   6.399  -2.019   5.833
  148   1HG   ARG  21           HG2      ARG  21   7.162  -4.404   6.461
  149   2HG   ARG  21           HG1      ARG  21   6.429  -4.906   4.937
  150   1HD   ARG  21           HD2      ARG  21   8.048  -3.906   3.679
  151   2HD   ARG  21           HD1      ARG  21   8.198  -2.535   4.778
  152    HE   ARG  21           HE       ARG  21   9.277  -5.121   5.730
  153   1HH1  ARG  21          HH21      ARG  21   9.912  -2.272   6.710
  154   2HH1  ARG  21          HH22      ARG  21  11.517  -2.072   6.088
  155   1HH2  ARG  21          HH11      ARG  21  11.297  -4.760   3.912
  156   2HH2  ARG  21          HH12      ARG  21  12.302  -3.482   4.508
  157    HA   PRO  22           HA       PRO  22   0.721  -2.675   6.349
  158   1HB   PRO  22           HB2      PRO  22  -0.028  -1.472   8.740
  159   2HB   PRO  22           HB1      PRO  22  -0.017  -3.233   8.445
  160   1HG   PRO  22           HG2      PRO  22   1.970  -1.536   9.921
  161   2HG   PRO  22           HG1      PRO  22   1.482  -3.214  10.229
  162   1HD   PRO  22           HD2      PRO  22   3.851  -2.529   8.984
  163   2HD   PRO  22           HD1      PRO  22   3.014  -4.074   8.714
  164    H    LEU  23           HN       LEU  23   0.081  -0.969   5.100
  165    HA   LEU  23           HA       LEU  23   1.028   1.721   5.999
  166   1HB   LEU  23           HB2      LEU  23   0.320   0.914   3.172
  167   2HB   LEU  23           HB1      LEU  23   1.194   2.356   3.705
  168    HG   LEU  23           HG       LEU  23   2.479  -0.001   4.752
  169   1HD1  LEU  23          HD12      LEU  23   2.108   0.107   1.751
  170   2HD1  LEU  23          HD11      LEU  23   3.246  -0.941   2.597
  171   3HD1  LEU  23          HD13      LEU  23   1.511  -1.155   2.829
  172   1HD2  LEU  23          HD22      LEU  23   3.130   2.527   3.856
  173   2HD2  LEU  23          HD21      LEU  23   4.283   1.271   4.313
  174   3HD2  LEU  23          HD23      LEU  23   3.826   1.476   2.621
  175    H    CYS  24           HN       CYS  24  -0.584   3.128   6.507
  176    HA   CYS  24           HA       CYS  24  -3.354   2.210   6.205
  177   1HB   CYS  24           HB2      CYS  24  -2.682   3.427   8.252
  178   2HB   CYS  24           HB1      CYS  24  -2.301   4.841   7.286
  179    H    GLY  25           HN       GLY  25  -4.987   3.630   5.105
  180   1HA   GLY  25           HA2      GLY  25  -3.767   5.093   2.831
  181   2HA   GLY  25           HA1      GLY  25  -4.954   3.942   2.583
  182    H    SER  26           HN       SER  26  -5.364   6.390   1.578
  183    HA   SER  26           HA       SER  26  -6.583   8.289   3.327
  184   1HB   SER  26           HB2      SER  26  -7.498   8.063   0.494
  185   2HB   SER  26           HB1      SER  26  -6.976   9.484   1.392
  186    HG   SER  26           HG       SER  26  -4.839   8.480   1.356
  187    H    ASP  27           HN       ASP  27  -7.758   5.305   2.009
  188    HA   ASP  27           HA       ASP  27 -10.578   5.871   2.096
  189   1HB   ASP  27           HB2      ASP  27 -10.681   3.285   2.464
  190   2HB   ASP  27           HB1      ASP  27 -10.052   3.898   0.935
  191    H    ASN  28           HN       ASN  28  -8.252   5.599   4.530
  192    HA   ASN  28           HA       ASN  28  -8.545   5.986   6.836
  193   1HB   ASN  28           HB2      ASN  28 -11.015   6.641   5.977
  194   2HB   ASN  28           HB1      ASN  28 -11.402   5.159   6.853
  195   1HD2  ASN  28          HD22      ASN  28 -11.592   7.708   9.468
  196   2HD2  ASN  28          HD21      ASN  28 -12.520   7.120   8.173
  197    H    LYS  29           HN       LYS  29  -7.940   3.429   5.465
  198    HA   LYS  29           HA       LYS  29  -8.679   1.635   7.726
  199   1HB   LYS  29           HB2      LYS  29  -8.290   0.272   5.139
  200   2HB   LYS  29           HB1      LYS  29  -9.506   0.016   6.381
  201   1HG   LYS  29           HG2      LYS  29 -10.372   2.384   5.499
  202   2HG   LYS  29           HG1      LYS  29  -9.573   1.828   4.027
  203   1HD   LYS  29           HD2      LYS  29 -11.459   0.659   3.597
  204   2HD   LYS  29           HD1      LYS  29 -10.969  -0.415   4.907
  205   1HE   LYS  29           HE2      LYS  29 -12.242   2.019   5.898
  206   2HE   LYS  29           HE1      LYS  29 -13.300   1.100   4.830
  207   1HZ   LYS  29           HZ1      LYS  29 -12.354  -0.876   6.265
  208   2HZ   LYS  29           HZ3      LYS  29 -12.167   0.355   7.417
  209   3HZ   LYS  29           HZ2      LYS  29 -13.703   0.027   6.769
  210    H    THR  30           HN       THR  30  -7.197  -0.567   6.972
  211    HA   THR  30           HA       THR  30  -4.418   0.526   6.732
  212    HB   THR  30           HB       THR  30  -5.495  -1.569   8.634
  213    HG1  THR  30           HG1      THR  30  -4.785  -0.179  10.135
  214   1HG2  THR  30          HG21      THR  30  -3.404  -2.372   7.485
  215   2HG2  THR  30          HG23      THR  30  -2.577  -0.938   8.093
  216   3HG2  THR  30          HG22      THR  30  -3.209  -2.137   9.221
  217    H    TYR  31           HN       TYR  31  -2.876  -0.994   5.805
  218    HA   TYR  31           HA       TYR  31  -4.164  -3.228   4.321
  219   1HB   TYR  31           HB2      TYR  31  -2.340  -1.065   3.246
  220   2HB   TYR  31           HB1      TYR  31  -2.344  -2.663   2.551
  221    HD1  TYR  31           HD2      TYR  31  -4.622  -3.696   1.888
  222    HD2  TYR  31           HD1      TYR  31  -4.034   0.487   2.677
  223    HE1  TYR  31           HE2      TYR  31  -6.718  -3.176   0.677
  224    HE2  TYR  31           HE1      TYR  31  -6.137   1.005   1.464
  225    HH   TYR  31           HH       TYR  31  -8.180  -0.057   0.792
  226    H    GLY  32           HN       GLY  32  -3.206  -5.125   4.730
  227   1HA   GLY  32           HA2      GLY  32  -1.476  -5.764   6.657
  228   2HA   GLY  32           HA1      GLY  32  -1.424  -6.653   5.149
  229    H    ASN  33           HN       ASN  33  -0.260  -4.936   3.378
  230    HA   ASN  33           HA       ASN  33   2.000  -3.588   4.588
  231   1HB   ASN  33           HB2      ASN  33   3.762  -5.066   3.660
  232   2HB   ASN  33           HB1      ASN  33   2.780  -5.875   4.869
  233   1HD2  ASN  33          HD22      ASN  33   2.861  -8.394   2.273
  234   2HD2  ASN  33          HD21      ASN  33   3.774  -7.810   3.579
  235    H    LYS  34           HN       LYS  34   3.788  -3.616   2.515
  236    HA   LYS  34           HA       LYS  34   2.906  -1.594   0.851
  237   1HB   LYS  34           HB2      LYS  34   4.828  -2.027  -0.527
  238   2HB   LYS  34           HB1      LYS  34   5.276  -2.428   1.131
  239   1HG   LYS  34           HG2      LYS  34   4.601  -4.830   0.605
  240   2HG   LYS  34           HG1      LYS  34   4.510  -4.339  -1.088
  241   1HD   LYS  34           HD2      LYS  34   6.987  -3.619   0.412
  242   2HD   LYS  34           HD1      LYS  34   6.765  -5.315  -0.025
  243   1HE   LYS  34           HE2      LYS  34   7.709  -4.653  -1.998
  244   2HE   LYS  34           HE1      LYS  34   6.065  -4.126  -2.362
  245   1HZ   LYS  34           HZ1      LYS  34   7.114  -2.068  -0.922
  246   2HZ   LYS  34           HZ3      LYS  34   8.415  -2.561  -1.891
  247   3HZ   LYS  34           HZ2      LYS  34   6.943  -2.115  -2.612
  248    H    CYS  35           HN       CYS  35   2.702  -5.090   0.109
  249    HA   CYS  35           HA       CYS  35   1.720  -4.633  -2.531
  250   1HB   CYS  35           HB2      CYS  35   1.115  -7.069  -0.866
  251   2HB   CYS  35           HB1      CYS  35   1.347  -6.957  -2.604
  252    H    ASN  36           HN       ASN  36  -0.023  -5.603   0.451
  253    HA   ASN  36           HA       ASN  36  -2.619  -5.424  -0.688
  254   1HB   ASN  36           HB2      ASN  36  -1.665  -5.043   2.158
  255   2HB   ASN  36           HB1      ASN  36  -3.371  -5.076   1.708
  256   1HD2  ASN  36          HD22      ASN  36  -1.171  -8.534   1.503
  257   2HD2  ASN  36          HD21      ASN  36  -0.385  -7.035   1.619
  258    H    PHE  37           HN       PHE  37  -0.393  -2.927   0.220
  259    HA   PHE  37           HA       PHE  37  -2.438  -0.846   0.490
  260   1HB   PHE  37           HB2      PHE  37  -0.304  -0.563   1.607
  261   2HB   PHE  37           HB1      PHE  37   0.570  -0.629   0.224
  262    HD1  PHE  37           HD1      PHE  37  -2.428   1.217   1.356
  263    HD2  PHE  37           HD2      PHE  37   1.323   1.288  -0.666
  264    HE1  PHE  37           HE1      PHE  37  -2.750   3.645   0.862
  265    HE2  PHE  37           HE2      PHE  37   1.031   3.704  -1.169
  266    HZ   PHE  37           HZ       PHE  37  -1.017   4.874  -0.409
  267    H    CYS  38           HN       CYS  38   0.030  -1.649  -1.804
  268    HA   CYS  38           HA       CYS  38  -0.586   0.260  -3.808
  269   1HB   CYS  38           HB2      CYS  38   0.970  -2.270  -3.692
  270   2HB   CYS  38           HB1      CYS  38   0.443  -1.753  -5.293
  271    H    ASN  39           HN       ASN  39  -2.009  -2.865  -3.065
  272    HA   ASN  39           HA       ASN  39  -3.404  -3.181  -5.550
  273   1HB   ASN  39           HB2      ASN  39  -3.585  -4.319  -2.794
  274   2HB   ASN  39           HB1      ASN  39  -4.975  -4.515  -3.850
  275   1HD2  ASN  39          HD22      ASN  39  -1.967  -6.999  -4.351
  276   2HD2  ASN  39          HD21      ASN  39  -2.296  -6.144  -2.928
  277    H    ALA  40           HN       ALA  40  -3.981  -1.408  -2.595
  278    HA   ALA  40           HA       ALA  40  -6.739  -0.691  -3.252
  279   1HB   ALA  40           HB1      ALA  40  -5.283  -0.672  -0.938
  280   2HB   ALA  40           HB3      ALA  40  -5.169   1.025  -1.405
  281   3HB   ALA  40           HB2      ALA  40  -6.749   0.278  -1.172
  282    H    VAL  41           HN       VAL  41  -3.546   0.426  -3.945
  283    HA   VAL  41           HA       VAL  41  -4.372   3.111  -4.805
  284    HB   VAL  41           HB       VAL  41  -1.784   1.548  -4.991
  285   1HG1  VAL  41          HG11      VAL  41  -2.415   4.361  -5.929
  286   2HG1  VAL  41          HG13      VAL  41  -0.789   3.692  -5.794
  287   3HG1  VAL  41          HG12      VAL  41  -1.935   3.000  -6.942
  288   1HG2  VAL  41          HG23      VAL  41  -2.713   2.560  -2.790
  289   2HG2  VAL  41          HG22      VAL  41  -1.044   2.926  -3.228
  290   3HG2  VAL  41          HG21      VAL  41  -2.312   4.120  -3.510
  291    H    VAL  42           HN       VAL  42  -3.922  -0.055  -6.164
  292    HA   VAL  42           HA       VAL  42  -3.932   0.940  -8.934
  293    HB   VAL  42           HB       VAL  42  -3.584  -1.345  -9.570
  294   1HG1  VAL  42          HG13      VAL  42  -2.061  -0.221  -7.353
  295   2HG1  VAL  42          HG12      VAL  42  -2.002  -1.983  -7.365
  296   3HG1  VAL  42          HG11      VAL  42  -1.485  -1.074  -8.785
  297   1HG2  VAL  42          HG22      VAL  42  -5.120  -1.831  -7.160
  298   2HG2  VAL  42          HG21      VAL  42  -4.857  -2.887  -8.547
  299   3HG2  VAL  42          HG23      VAL  42  -3.689  -2.849  -7.235
  300    H    GLU  43           HN       GLU  43  -6.127  -0.087  -6.517
  301    HA   GLU  43           HA       GLU  43  -8.282  -0.689  -8.441
  302   1HB   GLU  43           HB2      GLU  43  -9.606  -0.979  -6.289
  303   2HB   GLU  43           HB1      GLU  43  -8.311  -2.125  -6.500
  304   1HG   GLU  43           HG2      GLU  43  -7.655  -1.504  -4.467
  305   2HG   GLU  43           HG1      GLU  43  -7.154   0.027  -5.181
  306    H    SER  44           HN       SER  44  -7.197   1.785  -6.206
  307    HA   SER  44           HA       SER  44  -9.650   3.360  -6.520
  308   1HB   SER  44           HB2      SER  44  -7.912   3.259  -4.501
  309   2HB   SER  44           HB1      SER  44  -7.138   4.547  -5.420
  310    HG   SER  44           HG       SER  44  -8.932   5.018  -3.796
  311    H    ASN  45           HN       ASN  45  -7.363   2.715  -8.685
  312    HA   ASN  45           HA       ASN  45  -6.595   3.818 -10.596
  313   1HB   ASN  45           HB2      ASN  45  -8.853   5.630  -9.722
  314   2HB   ASN  45           HB1      ASN  45  -7.873   5.975 -11.139
  315   1HD2  ASN  45          HD22      ASN  45 -10.892   3.497 -11.626
  316   2HD2  ASN  45          HD21      ASN  45 -10.777   4.707 -10.441
  317    H    GLY  46           HN       GLY  46  -5.497   4.337  -7.864
  318   1HA   GLY  46           HA2      GLY  46  -3.768   5.642  -6.983
  319   2HA   GLY  46           HA1      GLY  46  -3.618   6.413  -8.554
  320    H    THR  47           HN       THR  47  -6.640   6.329  -6.839
  321    HA   THR  47           HA       THR  47  -6.456   9.278  -6.441
  322    HB   THR  47           HB       THR  47  -8.856   9.318  -6.508
  323    HG1  THR  47           HG1      THR  47  -9.191   7.436  -5.271
  324   1HG2  THR  47          HG21      THR  47  -7.723   7.401  -8.554
  325   2HG2  THR  47          HG23      THR  47  -9.335   8.105  -8.668
  326   3HG2  THR  47          HG22      THR  47  -7.913   9.147  -8.715
  327    H    LEU  48           HN       LEU  48  -6.035   6.434  -4.791
  328    HA   LEU  48           HA       LEU  48  -7.420   7.106  -2.332
  329   1HB   LEU  48           HB2      LEU  48  -7.195   4.827  -2.489
  330   2HB   LEU  48           HB1      LEU  48  -5.725   4.940  -3.445
  331    HG   LEU  48           HG       LEU  48  -5.108   5.899  -0.831
  332   1HD1  LEU  48          HD11      LEU  48  -7.258   4.594  -0.365
  333   2HD1  LEU  48          HD13      LEU  48  -6.300   3.163  -0.739
  334   3HD1  LEU  48          HD12      LEU  48  -5.831   4.214   0.599
  335   1HD2  LEU  48          HD23      LEU  48  -4.049   4.251  -2.814
  336   2HD2  LEU  48          HD22      LEU  48  -3.299   4.601  -1.257
  337   3HD2  LEU  48          HD21      LEU  48  -4.301   3.162  -1.449
  338    H    THR  49           HN       THR  49  -4.038   6.335  -2.674
  339    HA   THR  49           HA       THR  49  -2.120   7.640  -2.308
  340    HB   THR  49           HB       THR  49  -2.165   9.784  -1.441
  341    HG1  THR  49           HG1      THR  49  -3.592  10.498  -0.043
  342   1HG2  THR  49          HG23      THR  49  -4.009   9.052  -3.457
  343   2HG2  THR  49          HG22      THR  49  -4.706  10.381  -2.529
  344   3HG2  THR  49          HG21      THR  49  -3.121  10.565  -3.280
  345    H    LEU  50           HN       LEU  50  -0.729   7.212  -0.746
  346    HA   LEU  50           HA       LEU  50  -1.488   5.566   1.466
  347   1HB   LEU  50           HB2      LEU  50   0.704   5.320   0.500
  348   2HB   LEU  50           HB1      LEU  50   1.044   7.035   0.664
  349    HG   LEU  50           HG       LEU  50   0.824   6.670   3.202
  350   1HD1  LEU  50          HD13      LEU  50  -0.209   4.298   2.626
  351   2HD1  LEU  50          HD12      LEU  50   1.487   3.816   2.576
  352   3HD1  LEU  50          HD11      LEU  50   0.810   4.506   4.050
  353   1HD2  LEU  50          HD23      LEU  50   2.943   7.014   1.983
  354   2HD2  LEU  50          HD22      LEU  50   3.144   5.877   3.316
  355   3HD2  LEU  50          HD21      LEU  50   3.030   5.283   1.659
  356    H    SER  51           HN       SER  51  -1.160   6.214   3.766
  357    HA   SER  51           HA       SER  51  -1.659   9.137   4.193
  358   1HB   SER  51           HB2      SER  51  -2.459   8.268   6.480
  359   2HB   SER  51           HB1      SER  51  -3.502   7.933   5.124
  360    HG   SER  51           HG       SER  51  -3.298   5.971   5.917
  361    H    HIS  52           HN       HIS  52  -0.056   6.265   5.324
  362    HA   HIS  52           HA       HIS  52   2.477   7.484   5.849
  363   1HB   HIS  52           HB2      HIS  52   2.487   7.474   8.295
  364   2HB   HIS  52           HB1      HIS  52   1.145   8.488   7.757
  365    HD1  HIS  52           HD1      HIS  52   1.246   6.724  10.499
  366    HD2  HIS  52           HD2      HIS  52  -0.761   5.780   6.975
  367    HE1  HIS  52           HE1      HIS  52  -0.547   5.027  11.107
  368    H    PHE  53           HN       PHE  53   3.890   5.843   7.033
  369    HA   PHE  53           HA       PHE  53   3.231   3.163   6.111
  370   1HB   PHE  53           HB2      PHE  53   5.530   4.299   7.721
  371   2HB   PHE  53           HB1      PHE  53   5.383   2.577   7.366
  372    HD1  PHE  53           HD2      PHE  53   5.207   5.896   5.630
  373    HD2  PHE  53           HD1      PHE  53   6.330   1.757   5.385
  374    HE1  PHE  53           HE2      PHE  53   6.146   6.283   3.370
  375    HE2  PHE  53           HE1      PHE  53   7.273   2.147   3.125
  376    HZ   PHE  53           HZ       PHE  53   7.182   4.412   2.118
  377    H    GLY  54           HN       GLY  54   3.471   1.310   7.791
  378   1HA   GLY  54           HA2      GLY  54   2.787   0.283   9.798
  379   2HA   GLY  54           HA1      GLY  54   2.642   1.851  10.515
  380    H    LYS  55           HN       LYS  55   0.625   0.526  11.323
  381    HA   LYS  55           HA       LYS  55  -1.614   0.701   9.394
  382   1HB   LYS  55           HB2      LYS  55  -2.669   0.001  11.902
  383   2HB   LYS  55           HB1      LYS  55  -2.344  -1.089  10.558
  384   1HG   LYS  55           HG2      LYS  55  -0.055  -1.452  11.400
  385   2HG   LYS  55           HG1      LYS  55  -0.370  -0.347  12.738
  386   1HD   LYS  55           HD2      LYS  55  -1.679  -1.859  13.860
  387   2HD   LYS  55           HD1      LYS  55  -2.322  -2.558  12.373
  388   1HE   LYS  55           HE2      LYS  55  -0.898  -4.211  13.426
  389   2HE   LYS  55           HE1      LYS  55  -0.077  -3.621  11.982
  390   1HZ   LYS  55           HZ1      LYS  55   0.540  -1.997  14.222
  391   2HZ   LYS  55           HZ3      LYS  55   0.893  -3.620  14.563
  392   3HZ   LYS  55           HZ2      LYS  55   1.588  -2.869  13.208
  393    H    CYS  56           HN       CYS  56  -3.543   1.951   9.927
  394    HA   CYS  56           HA       CYS  56  -2.966   4.591  10.856
  395   1HB   CYS  56           HB2      CYS  56  -5.282   3.122   9.868
  396   2HB   CYS  56           HB1      CYS  56  -5.723   4.251  11.149
   
  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           HT3      LEU   1  13.318  16.415   1.916
    2   2H    LEU   1           HT2      LEU   1  13.001  17.978   2.502
    3   3H    LEU   1           HT1      LEU   1  13.648  16.795   3.536
    4    HA   LEU   1           HA       LEU   1  11.448  16.783   4.158
    5   1HB   LEU   1           HB2      LEU   1  11.102  18.072   1.703
    6   2HB   LEU   1           HB1      LEU   1  10.159  16.590   1.549
    7    HG   LEU   1           HG       LEU   1   9.961  18.559   3.847
    8   1HD1  LEU   1          HD12      LEU   1   8.335  18.097   1.352
    9   2HD1  LEU   1          HD11      LEU   1   7.575  18.745   2.805
   10   3HD1  LEU   1          HD13      LEU   1   8.899  19.621   2.037
   11   1HD2  LEU   1          HD22      LEU   1   9.385  15.852   3.831
   12   2HD2  LEU   1          HD21      LEU   1   8.658  17.037   4.917
   13   3HD2  LEU   1          HD23      LEU   1   7.829  16.579   3.429
   14    H    ALA   2           HN       ALA   2  10.905  14.757   4.796
   15    HA   ALA   2           HA       ALA   2  11.874  12.408   3.516
   16   1HB   ALA   2           HB2      ALA   2   9.814  12.954   5.633
   17   2HB   ALA   2           HB1      ALA   2   9.948  11.330   4.960
   18   3HB   ALA   2           HB3      ALA   2  11.335  12.069   5.759
   19    H    ALA   3           HN       ALA   3   9.945  10.599   3.092
   20    HA   ALA   3           HA       ALA   3   8.092  11.857   1.110
   21   1HB   ALA   3           HB2      ALA   3  10.272  10.126   0.564
   22   2HB   ALA   3           HB1      ALA   3   8.801   9.182   0.324
   23   3HB   ALA   3           HB3      ALA   3   9.037  10.688  -0.563
   24    H    VAL   4           HN       VAL   4   6.114  10.638   0.747
   25    HA   VAL   4           HA       VAL   4   5.557   8.495   2.736
   26    HB   VAL   4           HB       VAL   4   3.312   9.604   3.154
   27   1HG1  VAL   4          HG12      VAL   4   5.379   9.724   4.663
   28   2HG1  VAL   4          HG11      VAL   4   5.652  11.331   3.987
   29   3HG1  VAL   4          HG13      VAL   4   4.176  10.993   4.891
   30   1HG2  VAL   4          HG23      VAL   4   4.560  11.521   1.296
   31   2HG2  VAL   4          HG22      VAL   4   2.857  11.279   1.685
   32   3HG2  VAL   4          HG21      VAL   4   3.870  12.267   2.737
   33    H    SER   5           HN       SER   5   5.803   7.280   0.638
   34    HA   SER   5           HA       SER   5   3.316   6.464  -0.417
   35   1HB   SER   5           HB2      SER   5   3.438   7.461  -2.709
   36   2HB   SER   5           HB1      SER   5   3.152   8.663  -1.454
   37    HG   SER   5           HG       SER   5   5.477   8.116  -2.941
   38    H    VAL   6           HN       VAL   6   3.598   4.718  -1.911
   39    HA   VAL   6           HA       VAL   6   6.459   4.018  -2.436
   40    HB   VAL   6           HB       VAL   6   5.166   2.639  -0.667
   41   1HG1  VAL   6          HG12      VAL   6   3.912   1.596  -3.221
   42   2HG1  VAL   6          HG11      VAL   6   3.777   0.823  -1.643
   43   3HG1  VAL   6          HG13      VAL   6   3.066   2.416  -1.909
   44   1HG2  VAL   6          HG21      VAL   6   7.257   2.037  -2.235
   45   2HG2  VAL   6          HG23      VAL   6   6.546   0.847  -1.144
   46   3HG2  VAL   6          HG22      VAL   6   6.119   0.842  -2.856
   47    H    ASP   7           HN       ASP   7   6.497   2.202  -4.245
   48    HA   ASP   7           HA       ASP   7   5.049   3.346  -6.546
   49   1HB   ASP   7           HB2      ASP   7   7.515   2.652  -6.578
   50   2HB   ASP   7           HB1      ASP   7   6.941   0.984  -6.573
   51    H    CYS   8           HN       CYS   8   3.301   2.368  -7.517
   52    HA   CYS   8           HA       CYS   8   2.700  -0.461  -6.870
   53   1HB   CYS   8           HB2      CYS   8   0.608   1.702  -6.606
   54   2HB   CYS   8           HB1      CYS   8   0.503   0.021  -6.095
   55    H    SER   9           HN       SER   9   3.625   0.624  -9.322
   56    HA   SER   9           HA       SER   9   1.232   0.927 -11.033
   57   1HB   SER   9           HB2      SER   9   3.073   2.388 -11.569
   58   2HB   SER   9           HB1      SER   9   4.203   1.039 -11.607
   59    HG   SER   9           HG       SER   9   3.497   1.670 -13.703
   60    H    GLU  10           HN       GLU  10   3.121  -1.586  -9.822
   61    HA   GLU  10           HA       GLU  10   2.703  -3.311 -12.203
   62   1HB   GLU  10           HB2      GLU  10   3.996  -4.226  -9.649
   63   2HB   GLU  10           HB1      GLU  10   4.316  -4.748 -11.304
   64   1HG   GLU  10           HG2      GLU  10   5.155  -2.178  -9.955
   65   2HG   GLU  10           HG1      GLU  10   6.176  -3.386 -10.734
   66    H    TYR  11           HN       TYR  11   0.965  -2.439  -9.506
   67    HA   TYR  11           HA       TYR  11  -0.044  -5.073  -8.813
   68   1HB   TYR  11           HB2      TYR  11  -0.744  -2.254  -7.979
   69   2HB   TYR  11           HB1      TYR  11  -1.646  -3.655  -7.402
   70    HD1  TYR  11           HD2      TYR  11   1.825  -2.298  -7.702
   71    HD2  TYR  11           HD1      TYR  11  -0.830  -4.927  -5.577
   72    HE1  TYR  11           HE2      TYR  11   3.604  -2.747  -6.035
   73    HE2  TYR  11           HE1      TYR  11   0.958  -5.385  -3.911
   74    HH   TYR  11           HH       TYR  11   4.235  -4.225  -4.377
   75    HA   PRO  12           HA       PRO  12  -2.085  -5.407  -7.762
   76   1HB   PRO  12           HB2      PRO  12  -3.626  -7.623  -8.310
   77   2HB   PRO  12           HB1      PRO  12  -4.307  -6.051  -7.858
   78   1HG   PRO  12           HG2      PRO  12  -4.186  -7.341 -10.551
   79   2HG   PRO  12           HG1      PRO  12  -5.375  -6.195  -9.905
   80   1HD   PRO  12           HD2      PRO  12  -3.266  -5.525 -11.647
   81   2HD   PRO  12           HD1      PRO  12  -4.214  -4.402 -10.707
   82    H    LYS  13           HN       LYS  13  -1.265  -7.525  -6.985
   83    HA   LYS  13           HA       LYS  13   0.477  -8.886  -9.005
   84   1HB   LYS  13           HB2      LYS  13   1.173  -8.839  -6.093
   85   2HB   LYS  13           HB1      LYS  13   2.231  -8.899  -7.500
   86   1HG   LYS  13           HG2      LYS  13   1.064  -6.486  -7.896
   87   2HG   LYS  13           HG1      LYS  13   1.045  -6.560  -6.135
   88   1HD   LYS  13           HD2      LYS  13   3.457  -6.844  -7.947
   89   2HD   LYS  13           HD1      LYS  13   3.135  -5.545  -6.798
   90   1HE   LYS  13           HE2      LYS  13   3.285  -7.114  -4.928
   91   2HE   LYS  13           HE1      LYS  13   3.514  -8.457  -6.045
   92   1HZ   LYS  13           HZ3      LYS  13   5.325  -6.122  -6.030
   93   2HZ   LYS  13           HZ2      LYS  13   5.577  -7.451  -5.004
   94   3HZ   LYS  13           HZ1      LYS  13   5.595  -7.661  -6.690
   95    HA   PRO  14           HA       PRO  14  -1.708 -12.509  -7.730
   96   1HB   PRO  14           HB2      PRO  14  -0.009 -14.363  -8.835
   97   2HB   PRO  14           HB1      PRO  14  -1.156 -13.398  -9.779
   98   1HG   PRO  14           HG2      PRO  14   1.800 -13.111  -9.557
   99   2HG   PRO  14           HG1      PRO  14   0.723 -12.638 -10.881
  100   1HD   PRO  14           HD2      PRO  14   1.846 -10.906  -8.976
  101   2HD   PRO  14           HD1      PRO  14   0.529 -10.512 -10.049
  102    H    ALA  15           HN       ALA  15   0.788 -11.378  -6.125
  103    HA   ALA  15           HA       ALA  15   0.710 -13.385  -4.059
  104   1HB   ALA  15           HB1      ALA  15   2.205 -14.539  -5.683
  105   2HB   ALA  15           HB3      ALA  15   3.307 -13.163  -5.611
  106   3HB   ALA  15           HB2      ALA  15   3.033 -14.150  -4.175
  107    H    CYS  16           HN       CYS  16   1.080 -12.286  -2.181
  108    HA   CYS  16           HA       CYS  16   2.489  -9.664  -2.395
  109   1HB   CYS  16           HB2      CYS  16   0.498 -10.724  -0.371
  110   2HB   CYS  16           HB1      CYS  16   1.370  -9.206  -0.171
  111    H    THR  17           HN       THR  17   4.217  -9.195  -1.005
  112    HA   THR  17           HA       THR  17   5.827 -11.383  -0.121
  113    HB   THR  17           HB       THR  17   7.029  -9.527   1.213
  114    HG1  THR  17           HG1      THR  17   4.837  -8.298   0.874
  115   1HG2  THR  17          HG21      THR  17   6.577  -9.203  -1.767
  116   2HG2  THR  17          HG23      THR  17   7.922  -8.509  -0.862
  117   3HG2  THR  17          HG22      THR  17   7.768 -10.260  -1.008
  118    H    LEU  18           HN       LEU  18   6.604 -11.175   2.407
  119    HA   LEU  18           HA       LEU  18   4.063 -11.451   3.947
  120   1HB   LEU  18           HB2      LEU  18   5.831 -12.741   5.517
  121   2HB   LEU  18           HB1      LEU  18   4.970 -13.546   4.206
  122    HG   LEU  18           HG       LEU  18   6.887 -13.018   2.686
  123   1HD1  LEU  18          HD12      LEU  18   7.737 -11.576   5.110
  124   2HD1  LEU  18          HD11      LEU  18   9.001 -12.570   4.389
  125   3HD1  LEU  18          HD13      LEU  18   8.205 -11.324   3.429
  126   1HD2  LEU  18          HD23      LEU  18   7.157 -14.707   5.151
  127   2HD2  LEU  18          HD22      LEU  18   7.036 -15.206   3.464
  128   3HD2  LEU  18          HD21      LEU  18   8.550 -14.544   4.081
  129    H    GLU  19           HN       GLU  19   7.073  -9.736   3.747
  130    HA   GLU  19           HA       GLU  19   7.602  -8.929   6.335
  131   1HB   GLU  19           HB2      GLU  19   7.581  -7.331   3.770
  132   2HB   GLU  19           HB1      GLU  19   8.151  -6.655   5.299
  133   1HG   GLU  19           HG2      GLU  19  10.091  -7.780   5.163
  134   2HG   GLU  19           HG1      GLU  19   9.258  -9.292   4.837
  135    H    TYR  20           HN       TYR  20   6.354  -8.099   7.859
  136    HA   TYR  20           HA       TYR  20   3.709  -7.041   7.129
  137   1HB   TYR  20           HB2      TYR  20   3.939  -8.573   9.026
  138   2HB   TYR  20           HB1      TYR  20   4.918  -7.384   9.879
  139    HD1  TYR  20           HD2      TYR  20   1.758  -7.288   7.846
  140    HD2  TYR  20           HD1      TYR  20   3.709  -6.273  11.536
  141    HE1  TYR  20           HE2      TYR  20  -0.317  -6.182   8.638
  142    HE2  TYR  20           HE1      TYR  20   1.637  -5.167  12.328
  143    HH   TYR  20           HH       TYR  20  -1.266  -5.670  11.189
  144    H    ARG  21           HN       ARG  21   3.651  -5.082   6.486
  145    HA   ARG  21           HA       ARG  21   4.750  -2.897   8.167
  146   1HB   ARG  21           HB2      ARG  21   5.125  -2.911   5.152
  147   2HB   ARG  21           HB1      ARG  21   5.793  -1.763   6.311
  148   1HG   ARG  21           HG2      ARG  21   6.656  -4.318   7.164
  149   2HG   ARG  21           HG1      ARG  21   6.899  -4.279   5.418
  150   1HD   ARG  21           HD2      ARG  21   7.838  -2.117   7.327
  151   2HD   ARG  21           HD1      ARG  21   8.863  -3.409   6.703
  152    HE   ARG  21           HE       ARG  21   7.732  -2.187   4.448
  153   1HH1  ARG  21          HH21      ARG  21  10.283  -1.910   6.661
  154   2HH1  ARG  21          HH22      ARG  21  10.865  -0.398   6.047
  155   1HH2  ARG  21          HH11      ARG  21   8.218   0.035   3.854
  156   2HH2  ARG  21          HH12      ARG  21   9.699   0.701   4.458
  157    HA   PRO  22           HA       PRO  22   0.416  -2.387   6.936
  158   1HB   PRO  22           HB2      PRO  22  -0.239  -0.894   9.153
  159   2HB   PRO  22           HB1      PRO  22  -0.288  -2.670   9.084
  160   1HG   PRO  22           HG2      PRO  22   1.768  -0.892  10.346
  161   2HG   PRO  22           HG1      PRO  22   1.247  -2.519  10.822
  162   1HD   PRO  22           HD2      PRO  22   3.610  -1.971   9.445
  163   2HD   PRO  22           HD1      PRO  22   2.789  -3.547   9.441
  164    H    LEU  23           HN       LEU  23   0.349  -0.939   5.272
  165    HA   LEU  23           HA       LEU  23   1.164   1.868   5.861
  166   1HB   LEU  23           HB2      LEU  23   0.574   0.675   3.142
  167   2HB   LEU  23           HB1      LEU  23   1.509   2.127   3.515
  168    HG   LEU  23           HG       LEU  23   2.478  -0.379   4.775
  169   1HD1  LEU  23          HD11      LEU  23   1.722  -0.741   2.245
  170   2HD1  LEU  23          HD13      LEU  23   3.279   0.029   1.945
  171   3HD1  LEU  23          HD12      LEU  23   3.199  -1.456   2.893
  172   1HD2  LEU  23          HD23      LEU  23   3.429   2.125   4.566
  173   2HD2  LEU  23          HD22      LEU  23   4.480   0.715   4.712
  174   3HD2  LEU  23          HD21      LEU  23   4.164   1.420   3.127
  175    H    CYS  24           HN       CYS  24  -0.553   3.152   6.350
  176    HA   CYS  24           HA       CYS  24  -3.248   2.175   5.838
  177   1HB   CYS  24           HB2      CYS  24  -2.042   4.178   7.535
  178   2HB   CYS  24           HB1      CYS  24  -3.441   4.841   6.695
  179    H    GLY  25           HN       GLY  25  -4.873   3.954   5.022
  180   1HA   GLY  25           HA2      GLY  25  -3.799   5.261   2.572
  181   2HA   GLY  25           HA1      GLY  25  -5.068   4.161   2.463
  182    H    SER  26           HN       SER  26  -5.556   6.589   1.481
  183    HA   SER  26           HA       SER  26  -6.554   8.510   3.376
  184   1HB   SER  26           HB2      SER  26  -6.066   9.181   1.092
  185   2HB   SER  26           HB1      SER  26  -7.251   8.042   0.460
  186    HG   SER  26           HG       SER  26  -8.282   9.975   0.560
  187    H    ASP  27           HN       ASP  27  -7.995   5.687   1.849
  188    HA   ASP  27           HA       ASP  27 -10.729   6.275   2.500
  189   1HB   ASP  27           HB2      ASP  27 -10.913   3.682   2.384
  190   2HB   ASP  27           HB1      ASP  27 -10.441   4.549   0.922
  191    H    ASN  28           HN       ASN  28  -8.092   5.615   4.491
  192    HA   ASN  28           HA       ASN  28  -8.063   5.528   6.853
  193   1HB   ASN  28           HB2      ASN  28 -10.670   6.247   6.421
  194   2HB   ASN  28           HB1      ASN  28 -10.866   4.664   7.169
  195   1HD2  ASN  28          HD22      ASN  28  -8.831   5.906  10.083
  196   2HD2  ASN  28          HD21      ASN  28  -8.591   4.695   8.917
  197    H    LYS  29           HN       LYS  29  -8.038   3.268   4.751
  198    HA   LYS  29           HA       LYS  29  -8.664   0.982   6.532
  199   1HB   LYS  29           HB2      LYS  29  -9.667   0.702   4.405
  200   2HB   LYS  29           HB1      LYS  29  -8.235   1.274   3.557
  201   1HG   LYS  29           HG2      LYS  29  -8.274  -1.101   3.331
  202   2HG   LYS  29           HG1      LYS  29  -7.000  -0.710   4.477
  203   1HD   LYS  29           HD2      LYS  29  -7.995  -2.021   6.016
  204   2HD   LYS  29           HD1      LYS  29  -9.424  -0.990   5.950
  205   1HE   LYS  29           HE2      LYS  29  -9.498  -2.556   3.604
  206   2HE   LYS  29           HE1      LYS  29  -9.073  -3.663   4.910
  207   1HZ   LYS  29           HZ1      LYS  29 -11.244  -1.716   5.294
  208   2HZ   LYS  29           HZ3      LYS  29 -11.544  -3.140   4.424
  209   3HZ   LYS  29           HZ2      LYS  29 -11.011  -3.227   6.035
  210    H    THR  30           HN       THR  30  -7.022  -0.659   6.829
  211    HA   THR  30           HA       THR  30  -4.254   0.423   6.556
  212    HB   THR  30           HB       THR  30  -5.387  -1.689   8.418
  213    HG1  THR  30           HG1      THR  30  -4.114   0.713   9.124
  214   1HG2  THR  30          HG23      THR  30  -2.950  -1.951   7.507
  215   2HG2  THR  30          HG22      THR  30  -2.595  -0.576   8.551
  216   3HG2  THR  30          HG21      THR  30  -3.225  -2.070   9.244
  217    H    TYR  31           HN       TYR  31  -2.679  -0.852   5.549
  218    HA   TYR  31           HA       TYR  31  -3.676  -3.330   4.228
  219   1HB   TYR  31           HB2      TYR  31  -1.669  -1.314   3.145
  220   2HB   TYR  31           HB1      TYR  31  -2.108  -2.811   2.400
  221    HD1  TYR  31           HD1      TYR  31  -3.386   0.504   3.408
  222    HD2  TYR  31           HD2      TYR  31  -4.209  -3.123   1.254
  223    HE1  TYR  31           HE1      TYR  31  -5.372   1.565   2.374
  224    HE2  TYR  31           HE2      TYR  31  -6.193  -2.056   0.217
  225    HH   TYR  31           HH       TYR  31  -7.567   0.765   1.357
  226    H    GLY  32           HN       GLY  32  -2.749  -5.062   5.101
  227   1HA   GLY  32           HA2      GLY  32  -0.895  -5.342   7.017
  228   2HA   GLY  32           HA1      GLY  32  -0.965  -6.509   5.716
  229    H    ASN  33           HN       ASN  33   0.168  -5.258   3.570
  230    HA   ASN  33           HA       ASN  33   2.662  -4.008   4.553
  231   1HB   ASN  33           HB2      ASN  33   4.079  -5.545   3.273
  232   2HB   ASN  33           HB1      ASN  33   3.164  -6.402   4.506
  233   1HD2  ASN  33          HD22      ASN  33   2.761  -8.418   1.459
  234   2HD2  ASN  33          HD21      ASN  33   3.985  -8.055   2.575
  235    H    LYS  34           HN       LYS  34   4.118  -3.910   2.316
  236    HA   LYS  34           HA       LYS  34   2.946  -1.811   0.855
  237   1HB   LYS  34           HB2      LYS  34   4.854  -1.937  -0.594
  238   2HB   LYS  34           HB1      LYS  34   5.391  -2.307   1.047
  239   1HG   LYS  34           HG2      LYS  34   6.207  -4.237   0.268
  240   2HG   LYS  34           HG1      LYS  34   4.554  -4.768  -0.026
  241   1HD   LYS  34           HD2      LYS  34   4.614  -3.779  -2.273
  242   2HD   LYS  34           HD1      LYS  34   6.250  -3.184  -1.985
  243   1HE   LYS  34           HE2      LYS  34   6.625  -5.784  -1.391
  244   2HE   LYS  34           HE1      LYS  34   5.311  -5.946  -2.557
  245   1HZ   LYS  34           HZ3      LYS  34   6.942  -4.135  -3.725
  246   2HZ   LYS  34           HZ2      LYS  34   8.052  -5.177  -2.971
  247   3HZ   LYS  34           HZ1      LYS  34   6.919  -5.794  -4.077
  248    H    CYS  35           HN       CYS  35   2.787  -5.273   0.243
  249    HA   CYS  35           HA       CYS  35   1.968  -5.003  -2.486
  250   1HB   CYS  35           HB2      CYS  35   2.836  -7.128  -1.553
  251   2HB   CYS  35           HB1      CYS  35   1.402  -7.257  -0.544
  252    H    ASN  36           HN       ASN  36   0.173  -5.626   0.519
  253    HA   ASN  36           HA       ASN  36  -2.430  -5.524  -0.662
  254   1HB   ASN  36           HB2      ASN  36  -1.393  -5.153   2.141
  255   2HB   ASN  36           HB1      ASN  36  -3.101  -4.907   1.776
  256   1HD2  ASN  36          HD22      ASN  36  -1.541  -8.693   1.674
  257   2HD2  ASN  36          HD21      ASN  36  -0.505  -7.353   1.760
  258    H    PHE  37           HN       PHE  37  -0.312  -2.995   0.604
  259    HA   PHE  37           HA       PHE  37  -2.290  -0.896   0.582
  260   1HB   PHE  37           HB2      PHE  37  -0.147  -0.690   1.779
  261   2HB   PHE  37           HB1      PHE  37   0.719  -0.664   0.385
  262    HD1  PHE  37           HD1      PHE  37  -2.386   1.046   1.436
  263    HD2  PHE  37           HD2      PHE  37   1.517   1.293  -0.242
  264    HE1  PHE  37           HE1      PHE  37  -2.728   3.484   1.045
  265    HE2  PHE  37           HE2      PHE  37   1.219   3.731  -0.639
  266    HZ   PHE  37           HZ       PHE  37  -0.921   4.818  -0.002
  267    H    CYS  38           HN       CYS  38   0.313  -1.695  -1.591
  268    HA   CYS  38           HA       CYS  38  -0.186   0.206  -3.611
  269   1HB   CYS  38           HB2      CYS  38   1.147  -2.475  -3.566
  270   2HB   CYS  38           HB1      CYS  38   0.851  -1.692  -5.117
  271    H    ASN  39           HN       ASN  39  -1.426  -3.149  -3.394
  272    HA   ASN  39           HA       ASN  39  -2.855  -3.256  -5.780
  273   1HB   ASN  39           HB2      ASN  39  -3.112  -4.471  -3.089
  274   2HB   ASN  39           HB1      ASN  39  -4.579  -4.476  -4.051
  275   1HD2  ASN  39          HD22      ASN  39  -1.838  -7.195  -4.857
  276   2HD2  ASN  39          HD21      ASN  39  -1.923  -6.330  -3.405
  277    H    ALA  40           HN       ALA  40  -3.619  -1.521  -2.807
  278    HA   ALA  40           HA       ALA  40  -6.307  -0.793  -3.614
  279   1HB   ALA  40           HB3      ALA  40  -4.386   0.096  -1.480
  280   2HB   ALA  40           HB2      ALA  40  -5.814   1.075  -1.815
  281   3HB   ALA  40           HB1      ALA  40  -5.995  -0.604  -1.305
  282    H    VAL  41           HN       VAL  41  -3.114   0.705  -3.823
  283    HA   VAL  41           HA       VAL  41  -3.897   3.238  -4.851
  284    HB   VAL  41           HB       VAL  41  -1.398   1.590  -5.342
  285   1HG1  VAL  41          HG13      VAL  41  -2.289   4.160  -6.426
  286   2HG1  VAL  41          HG12      VAL  41  -0.744   4.277  -5.581
  287   3HG1  VAL  41          HG11      VAL  41  -0.935   3.142  -6.918
  288   1HG2  VAL  41          HG22      VAL  41  -1.872   2.179  -2.976
  289   2HG2  VAL  41          HG21      VAL  41  -0.440   3.008  -3.586
  290   3HG2  VAL  41          HG23      VAL  41  -1.964   3.881  -3.433
  291    H    VAL  42           HN       VAL  42  -2.707   0.390  -6.675
  292    HA   VAL  42           HA       VAL  42  -3.298   1.454  -9.235
  293    HB   VAL  42           HB       VAL  42  -1.709  -0.372  -8.881
  294   1HG1  VAL  42          HG11      VAL  42  -4.150  -1.762  -7.817
  295   2HG1  VAL  42          HG13      VAL  42  -2.824  -2.698  -8.507
  296   3HG1  VAL  42          HG12      VAL  42  -2.535  -1.654  -7.114
  297   1HG2  VAL  42          HG23      VAL  42  -3.529  -0.170 -10.916
  298   2HG2  VAL  42          HG22      VAL  42  -2.154  -1.274 -10.908
  299   3HG2  VAL  42          HG21      VAL  42  -3.746  -1.844 -10.405
  300    H    GLU  43           HN       GLU  43  -5.359  -0.067  -6.859
  301    HA   GLU  43           HA       GLU  43  -7.445  -0.611  -8.884
  302   1HB   GLU  43           HB2      GLU  43  -6.808  -1.927  -6.576
  303   2HB   GLU  43           HB1      GLU  43  -8.111  -0.889  -6.017
  304   1HG   GLU  43           HG2      GLU  43  -9.134  -1.777  -8.387
  305   2HG   GLU  43           HG1      GLU  43  -8.194  -3.178  -7.874
  306    H    SER  44           HN       SER  44  -6.401   1.934  -6.908
  307    HA   SER  44           HA       SER  44  -9.126   3.153  -6.975
  308   1HB   SER  44           HB2      SER  44  -8.673   4.254  -4.975
  309   2HB   SER  44           HB1      SER  44  -7.799   2.743  -4.738
  310    HG   SER  44           HG       SER  44  -5.950   3.894  -5.649
  311    H    ASN  45           HN       ASN  45  -6.967   3.170  -9.097
  312    HA   ASN  45           HA       ASN  45  -5.840   4.716 -10.467
  313   1HB   ASN  45           HB2      ASN  45  -7.305   6.873 -10.727
  314   2HB   ASN  45           HB1      ASN  45  -7.916   5.359 -11.351
  315   1HD2  ASN  45          HD22      ASN  45 -10.581   5.181  -9.026
  316   2HD2  ASN  45          HD21      ASN  45  -9.724   4.375 -10.249
  317    H    GLY  46           HN       GLY  46  -4.551   4.753  -8.134
  318   1HA   GLY  46           HA2      GLY  46  -3.360   6.069  -6.594
  319   2HA   GLY  46           HA1      GLY  46  -3.185   7.152  -7.966
  320    H    THR  47           HN       THR  47  -6.094   6.272  -6.126
  321    HA   THR  47           HA       THR  47  -6.381   9.160  -5.393
  322    HB   THR  47           HB       THR  47  -8.104   8.145  -7.022
  323    HG1  THR  47           HG1      THR  47  -8.753   9.351  -4.556
  324   1HG2  THR  47          HG23      THR  47  -8.175   6.123  -5.142
  325   2HG2  THR  47          HG22      THR  47  -9.625   7.053  -4.762
  326   3HG2  THR  47          HG21      THR  47  -9.397   6.400  -6.384
  327    H    LEU  48           HN       LEU  48  -5.534   6.246  -4.194
  328    HA   LEU  48           HA       LEU  48  -7.051   6.295  -1.700
  329   1HB   LEU  48           HB2      LEU  48  -6.531   4.094  -1.882
  330   2HB   LEU  48           HB1      LEU  48  -5.425   4.432  -3.204
  331    HG   LEU  48           HG       LEU  48  -3.799   5.175  -1.239
  332   1HD1  LEU  48          HD13      LEU  48  -6.061   3.875   0.089
  333   2HD1  LEU  48          HD12      LEU  48  -4.485   3.228   0.541
  334   3HD1  LEU  48          HD11      LEU  48  -4.827   4.946   0.750
  335   1HD2  LEU  48          HD22      LEU  48  -3.790   3.118  -2.882
  336   2HD2  LEU  48          HD21      LEU  48  -2.729   3.143  -1.473
  337   3HD2  LEU  48          HD23      LEU  48  -4.236   2.227  -1.425
  338    H    THR  49           HN       THR  49  -3.727   6.695  -2.697
  339    HA   THR  49           HA       THR  49  -1.903   7.749  -1.804
  340    HB   THR  49           HB       THR  49  -2.319   9.826  -0.571
  341    HG1  THR  49           HG1      THR  49  -4.142  10.017   0.414
  342   1HG2  THR  49          HG21      THR  49  -3.876   9.310  -3.091
  343   2HG2  THR  49          HG23      THR  49  -3.624  10.928  -2.434
  344   3HG2  THR  49          HG22      THR  49  -2.243   9.957  -2.945
  345    H    LEU  50           HN       LEU  50  -0.615   7.072  -0.300
  346    HA   LEU  50           HA       LEU  50  -1.416   5.448   1.888
  347   1HB   LEU  50           HB2      LEU  50   0.787   5.138   1.097
  348   2HB   LEU  50           HB1      LEU  50   1.112   6.863   1.033
  349    HG   LEU  50           HG       LEU  50   0.976   6.866   3.569
  350   1HD1  LEU  50          HD13      LEU  50   0.868   3.901   2.988
  351   2HD1  LEU  50          HD12      LEU  50   1.481   4.525   4.519
  352   3HD1  LEU  50          HD11      LEU  50  -0.187   4.844   4.042
  353   1HD2  LEU  50          HD23      LEU  50   3.042   5.415   1.938
  354   2HD2  LEU  50          HD22      LEU  50   3.133   7.016   2.671
  355   3HD2  LEU  50          HD21      LEU  50   3.250   5.576   3.682
  356    H    SER  51           HN       SER  51  -2.053   6.076   3.939
  357    HA   SER  51           HA       SER  51  -2.300   8.927   4.533
  358   1HB   SER  51           HB2      SER  51  -3.902   7.150   5.153
  359   2HB   SER  51           HB1      SER  51  -2.943   6.578   6.413
  360    HG   SER  51           HG       SER  51  -3.035   9.182   6.682
  361    H    HIS  52           HN       HIS  52  -0.154   6.376   5.135
  362    HA   HIS  52           HA       HIS  52   2.087   7.706   5.888
  363   1HB   HIS  52           HB2      HIS  52   1.997   7.685   8.449
  364   2HB   HIS  52           HB1      HIS  52   1.078   8.959   7.651
  365    HD1  HIS  52           HD1      HIS  52   0.653   5.653   9.404
  366    HD2  HIS  52           HD2      HIS  52  -1.746   8.753   7.961
  367    HE1  HIS  52           HE1      HIS  52  -1.677   5.205  10.267
  368    H    PHE  53           HN       PHE  53   3.659   6.311   7.168
  369    HA   PHE  53           HA       PHE  53   3.220   3.524   6.555
  370   1HB   PHE  53           HB2      PHE  53   5.354   4.987   8.125
  371   2HB   PHE  53           HB1      PHE  53   5.366   3.235   7.912
  372    HD1  PHE  53           HD2      PHE  53   5.443   6.484   6.122
  373    HD2  PHE  53           HD1      PHE  53   5.974   2.232   5.813
  374    HE1  PHE  53           HE2      PHE  53   6.415   6.770   3.863
  375    HE2  PHE  53           HE1      PHE  53   6.951   2.520   3.552
  376    HZ   PHE  53           HZ       PHE  53   7.173   4.791   2.577
  377    H    GLY  54           HN       GLY  54   2.974   1.814   8.082
  378   1HA   GLY  54           HA2      GLY  54   2.494   0.905  10.256
  379   2HA   GLY  54           HA1      GLY  54   2.287   2.523  10.860
  380    H    LYS  55           HN       LYS  55   0.275   1.177  11.723
  381    HA   LYS  55           HA       LYS  55  -1.911   0.973   9.829
  382   1HB   LYS  55           HB2      LYS  55  -2.112  -0.673  11.413
  383   2HB   LYS  55           HB1      LYS  55  -1.292   0.246  12.628
  384   1HG   LYS  55           HG2      LYS  55  -3.340   0.223  13.521
  385   2HG   LYS  55           HG1      LYS  55  -3.450   1.713  12.621
  386   1HD   LYS  55           HD2      LYS  55  -5.122   0.885  11.344
  387   2HD   LYS  55           HD1      LYS  55  -4.148  -0.525  10.927
  388   1HE   LYS  55           HE2      LYS  55  -5.376  -1.813  12.301
  389   2HE   LYS  55           HE1      LYS  55  -4.994  -0.758  13.662
  390   1HZ   LYS  55           HZ2      LYS  55  -6.782   0.745  12.818
  391   2HZ   LYS  55           HZ1      LYS  55  -7.229  -0.485  11.734
  392   3HZ   LYS  55           HZ3      LYS  55  -7.330  -0.753  13.406
  393    H    CYS  56           HN       CYS  56  -3.980   2.103  10.517
  394    HA   CYS  56           HA       CYS  56  -3.528   4.951  10.572
  395   1HB   CYS  56           HB2      CYS  56  -5.984   3.208  10.719
  396   2HB   CYS  56           HB1      CYS  56  -6.100   4.956  10.927
   
  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           HT1      LEU   1  14.654  10.160   1.661
    2   2H    LEU   1           HT3      LEU   1  14.830   9.349   3.140
    3   3H    LEU   1           HT2      LEU   1  13.944   8.632   1.880
    4    HA   LEU   1           HA       LEU   1  12.115   9.495   2.750
    5   1HB   LEU   1           HB2      LEU   1  14.166  10.458   4.591
    6   2HB   LEU   1           HB1      LEU   1  12.806  11.575   4.474
    7    HG   LEU   1           HG       LEU   1  11.761   8.917   4.563
    8   1HD1  LEU   1          HD11      LEU   1  14.129   9.397   6.260
    9   2HD1  LEU   1          HD13      LEU   1  12.714   8.805   7.129
   10   3HD1  LEU   1          HD12      LEU   1  13.376   7.875   5.783
   11   1HD2  LEU   1          HD22      LEU   1  10.688  11.060   5.306
   12   2HD2  LEU   1          HD21      LEU   1  10.605   9.787   6.524
   13   3HD2  LEU   1          HD23      LEU   1  11.786  11.087   6.685
   14    H    ALA   2           HN       ALA   2  11.792  10.400   0.580
   15    HA   ALA   2           HA       ALA   2  11.959  13.385   0.604
   16   1HB   ALA   2           HB3      ALA   2  12.655  11.440  -1.588
   17   2HB   ALA   2           HB2      ALA   2  12.142  13.082  -1.974
   18   3HB   ALA   2           HB1      ALA   2  13.587  12.815  -0.998
   19    H    ALA   3           HN       ALA   3   9.855  11.055   0.999
   20    HA   ALA   3           HA       ALA   3   7.622  12.571  -0.047
   21   1HB   ALA   3           HB1      ALA   3   8.563  11.315  -2.086
   22   2HB   ALA   3           HB3      ALA   3   7.993   9.845  -1.296
   23   3HB   ALA   3           HB2      ALA   3   6.845  11.105  -1.749
   24    H    VAL   4           HN       VAL   4   5.612  10.765   0.002
   25    HA   VAL   4           HA       VAL   4   5.959   9.021   2.368
   26    HB   VAL   4           HB       VAL   4   5.288  11.121   3.389
   27   1HG1  VAL   4          HG13      VAL   4   3.043  11.083   1.346
   28   2HG1  VAL   4          HG12      VAL   4   3.168  12.229   2.680
   29   3HG1  VAL   4          HG11      VAL   4   4.383  12.229   1.402
   30   1HG2  VAL   4          HG23      VAL   4   3.934   8.740   3.667
   31   2HG2  VAL   4          HG22      VAL   4   3.707  10.147   4.706
   32   3HG2  VAL   4          HG21      VAL   4   2.619   9.870   3.347
   33    H    SER   5           HN       SER   5   5.680   7.704   0.240
   34    HA   SER   5           HA       SER   5   2.972   6.646   0.239
   35   1HB   SER   5           HB2      SER   5   2.782   8.657  -1.275
   36   2HB   SER   5           HB1      SER   5   3.966   7.899  -2.336
   37    HG   SER   5           HG       SER   5   1.726   7.477  -2.874
   38    H    VAL   6           HN       VAL   6   2.914   5.020  -1.850
   39    HA   VAL   6           HA       VAL   6   5.571   3.648  -1.840
   40    HB   VAL   6           HB       VAL   6   2.784   2.460  -1.818
   41   1HG1  VAL   6          HG12      VAL   6   5.441   1.344  -2.582
   42   2HG1  VAL   6          HG11      VAL   6   4.398   0.325  -1.588
   43   3HG1  VAL   6          HG13      VAL   6   3.831   0.906  -3.154
   44   1HG2  VAL   6          HG22      VAL   6   4.754   3.081   0.211
   45   2HG2  VAL   6          HG21      VAL   6   3.123   2.438   0.413
   46   3HG2  VAL   6          HG23      VAL   6   4.478   1.341   0.147
   47    H    ASP   7           HN       ASP   7   6.168   2.586  -3.820
   48    HA   ASP   7           HA       ASP   7   5.233   3.939  -6.212
   49   1HB   ASP   7           HB2      ASP   7   7.564   3.203  -6.025
   50   2HB   ASP   7           HB1      ASP   7   7.041   1.526  -5.869
   51    H    CYS   8           HN       CYS   8   3.995   3.036  -7.920
   52    HA   CYS   8           HA       CYS   8   2.741   0.386  -7.359
   53   1HB   CYS   8           HB2      CYS   8   1.403   3.019  -7.871
   54   2HB   CYS   8           HB1      CYS   8   0.626   1.531  -8.403
   55    H    SER   9           HN       SER   9   4.869   0.822  -9.155
   56    HA   SER   9           HA       SER   9   3.673   1.068 -11.843
   57   1HB   SER   9           HB2      SER   9   5.781   2.116 -11.744
   58   2HB   SER   9           HB1      SER   9   6.482   0.817 -10.783
   59    HG   SER   9           HG       SER   9   5.555   0.536 -13.453
   60    H    GLU  10           HN       GLU  10   4.273  -1.372  -9.571
   61    HA   GLU  10           HA       GLU  10   4.072  -3.441 -11.719
   62   1HB   GLU  10           HB2      GLU  10   5.388  -3.897  -9.039
   63   2HB   GLU  10           HB1      GLU  10   5.518  -4.872 -10.501
   64   1HG   GLU  10           HG2      GLU  10   7.471  -3.722 -10.784
   65   2HG   GLU  10           HG1      GLU  10   6.402  -2.478 -11.437
   66    H    TYR  11           HN       TYR  11   1.753  -2.390 -10.709
   67    HA   TYR  11           HA       TYR  11   0.752  -4.607  -9.015
   68   1HB   TYR  11           HB2      TYR  11   0.487  -1.635  -8.599
   69   2HB   TYR  11           HB1      TYR  11  -0.756  -2.723  -7.987
   70    HD1  TYR  11           HD1      TYR  11  -0.096  -4.587  -6.396
   71    HD2  TYR  11           HD2      TYR  11   2.610  -1.461  -7.553
   72    HE1  TYR  11           HE1      TYR  11   1.376  -5.156  -4.484
   73    HE2  TYR  11           HE2      TYR  11   4.082  -2.026  -5.634
   74    HH   TYR  11           HH       TYR  11   4.452  -4.312  -4.218
   75    HA   PRO  12           HA       PRO  12  -1.205  -4.487  -7.992
   76   1HB   PRO  12           HB2      PRO  12  -3.405  -6.146  -8.054
   77   2HB   PRO  12           HB1      PRO  12  -3.518  -4.392  -7.872
   78   1HG   PRO  12           HG2      PRO  12  -4.228  -6.054 -10.207
   79   2HG   PRO  12           HG1      PRO  12  -4.693  -4.383  -9.846
   80   1HD   PRO  12           HD2      PRO  12  -2.617  -5.299 -11.621
   81   2HD   PRO  12           HD1      PRO  12  -3.110  -3.647 -11.360
   82    H    LYS  13           HN       LYS  13  -0.713  -6.536  -6.900
   83    HA   LYS  13           HA       LYS  13   0.104  -8.693  -8.806
   84   1HB   LYS  13           HB2      LYS  13   1.377  -8.786  -6.164
   85   2HB   LYS  13           HB1      LYS  13   2.109  -8.869  -7.764
   86   1HG   LYS  13           HG2      LYS  13   1.416  -6.252  -7.725
   87   2HG   LYS  13           HG1      LYS  13   1.676  -6.520  -6.001
   88   1HD   LYS  13           HD2      LYS  13   3.643  -7.051  -8.245
   89   2HD   LYS  13           HD1      LYS  13   3.781  -5.829  -6.982
   90   1HE   LYS  13           HE2      LYS  13   4.195  -7.431  -5.305
   91   2HE   LYS  13           HE1      LYS  13   3.545  -8.750  -6.277
   92   1HZ   LYS  13           HZ3      LYS  13   5.638  -7.574  -7.701
   93   2HZ   LYS  13           HZ2      LYS  13   6.193  -7.853  -6.120
   94   3HZ   LYS  13           HZ1      LYS  13   5.568  -9.135  -7.044
   95    HA   PRO  14           HA       PRO  14  -2.798 -11.183  -6.602
   96   1HB   PRO  14           HB2      PRO  14  -2.021 -13.604  -7.631
   97   2HB   PRO  14           HB1      PRO  14  -2.974 -12.413  -8.533
   98   1HG   PRO  14           HG2      PRO  14  -0.084 -13.105  -8.809
   99   2HG   PRO  14           HG1      PRO  14  -1.207 -12.477 -10.025
  100   1HD   PRO  14           HD2      PRO  14   0.739 -10.973  -8.673
  101   2HD   PRO  14           HD1      PRO  14  -0.623 -10.309  -9.560
  102    H    ALA  15           HN       ALA  15   0.204 -10.805  -5.599
  103    HA   ALA  15           HA       ALA  15  -0.082 -12.353  -3.220
  104   1HB   ALA  15           HB3      ALA  15   1.030 -13.770  -5.500
  105   2HB   ALA  15           HB2      ALA  15   2.189 -13.694  -4.173
  106   3HB   ALA  15           HB1      ALA  15   0.591 -14.392  -3.909
  107    H    CYS  16           HN       CYS  16   1.724 -12.032  -1.754
  108    HA   CYS  16           HA       CYS  16   3.967 -10.372  -2.737
  109   1HB   CYS  16           HB2      CYS  16   1.843  -8.994  -1.838
  110   2HB   CYS  16           HB1      CYS  16   2.607  -9.347  -0.287
  111    H    THR  17           HN       THR  17   5.517  -9.924  -0.834
  112    HA   THR  17           HA       THR  17   6.278 -12.388   0.377
  113    HB   THR  17           HB       THR  17   7.478 -10.542   1.979
  114    HG1  THR  17           HG1      THR  17   7.868  -8.888   0.120
  115   1HG2  THR  17          HG21      THR  17   8.138 -12.106  -0.264
  116   2HG2  THR  17          HG23      THR  17   8.745 -10.489  -0.620
  117   3HG2  THR  17          HG22      THR  17   9.259 -11.321   0.848
  118    H    LEU  18           HN       LEU  18   6.696 -11.811   3.112
  119    HA   LEU  18           HA       LEU  18   3.883 -11.473   4.067
  120   1HB   LEU  18           HB2      LEU  18   4.585 -13.135   5.902
  121   2HB   LEU  18           HB1      LEU  18   4.331 -13.798   4.288
  122    HG   LEU  18           HG       LEU  18   7.074 -12.828   4.918
  123   1HD1  LEU  18          HD11      LEU  18   5.830 -14.428   6.795
  124   2HD1  LEU  18          HD13      LEU  18   6.620 -15.609   5.749
  125   3HD1  LEU  18          HD12      LEU  18   7.573 -14.346   6.528
  126   1HD2  LEU  18          HD23      LEU  18   5.791 -15.095   3.385
  127   2HD2  LEU  18          HD22      LEU  18   6.767 -13.767   2.757
  128   3HD2  LEU  18          HD21      LEU  18   7.527 -15.055   3.692
  129    H    GLU  19           HN       GLU  19   6.852 -10.052   4.138
  130    HA   GLU  19           HA       GLU  19   7.278  -9.519   6.895
  131   1HB   GLU  19           HB2      GLU  19   8.629  -7.647   6.168
  132   2HB   GLU  19           HB1      GLU  19   8.894  -8.972   5.037
  133   1HG   GLU  19           HG2      GLU  19   6.678  -7.538   4.032
  134   2HG   GLU  19           HG1      GLU  19   7.863  -6.333   4.521
  135    H    TYR  20           HN       TYR  20   6.082  -8.337   8.257
  136    HA   TYR  20           HA       TYR  20   3.643  -7.102   7.260
  137   1HB   TYR  20           HB2      TYR  20   3.912  -8.351   9.453
  138   2HB   TYR  20           HB1      TYR  20   4.615  -6.871  10.093
  139    HD1  TYR  20           HD2      TYR  20   1.837  -7.511   7.662
  140    HD2  TYR  20           HD1      TYR  20   2.996  -5.803  11.431
  141    HE1  TYR  20           HE2      TYR  20  -0.440  -6.578   7.936
  142    HE2  TYR  20           HE1      TYR  20   0.714  -4.866  11.705
  143    HH   TYR  20           HH       TYR  20  -1.347  -4.358   9.433
  144    H    ARG  21           HN       ARG  21   3.702  -5.267   6.363
  145    HA   ARG  21           HA       ARG  21   4.989  -2.934   7.692
  146   1HB   ARG  21           HB2      ARG  21   5.064  -3.107   4.689
  147   2HB   ARG  21           HB1      ARG  21   6.103  -2.184   5.772
  148   1HG   ARG  21           HG2      ARG  21   6.452  -4.957   6.374
  149   2HG   ARG  21           HG1      ARG  21   6.587  -4.759   4.631
  150   1HD   ARG  21           HD2      ARG  21   8.771  -4.457   5.785
  151   2HD   ARG  21           HD1      ARG  21   8.261  -3.001   4.929
  152    HE   ARG  21           HE       ARG  21   7.498  -2.134   7.178
  153   1HH1  ARG  21          HH11      ARG  21   8.646  -5.193   7.749
  154   2HH1  ARG  21          HH12      ARG  21   9.811  -4.744   8.948
  155   1HH2  ARG  21          HH21      ARG  21   9.474  -1.341   8.383
  156   2HH2  ARG  21          HH22      ARG  21  10.278  -2.563   9.310
  157    HA   PRO  22           HA       PRO  22   0.538  -2.640   6.486
  158   1HB   PRO  22           HB2      PRO  22  -0.199  -1.359   8.830
  159   2HB   PRO  22           HB1      PRO  22  -0.215  -3.123   8.585
  160   1HG   PRO  22           HG2      PRO  22   1.794  -1.430  10.034
  161   2HG   PRO  22           HG1      PRO  22   1.276  -3.093  10.371
  162   1HD   PRO  22           HD2      PRO  22   3.662  -2.451   9.111
  163   2HD   PRO  22           HD1      PRO  22   2.823  -4.006   8.909
  164    H    LEU  23           HN       LEU  23   0.003  -1.014   5.128
  165    HA   LEU  23           HA       LEU  23   1.017   1.723   5.842
  166   1HB   LEU  23           HB2      LEU  23   0.080   0.953   3.087
  167   2HB   LEU  23           HB1      LEU  23   1.229   2.205   3.558
  168    HG   LEU  23           HG       LEU  23   1.900  -0.653   4.158
  169   1HD1  LEU  23          HD12      LEU  23   1.599   0.564   1.483
  170   2HD1  LEU  23          HD11      LEU  23   3.117  -0.284   1.772
  171   3HD1  LEU  23          HD13      LEU  23   1.583  -1.133   1.960
  172   1HD2  LEU  23          HD21      LEU  23   3.155   1.858   4.381
  173   2HD2  LEU  23          HD23      LEU  23   3.896   0.277   4.627
  174   3HD2  LEU  23          HD22      LEU  23   3.960   1.043   3.039
  175    H    CYS  24           HN       CYS  24  -0.592   3.111   6.478
  176    HA   CYS  24           HA       CYS  24  -3.372   2.258   6.090
  177   1HB   CYS  24           HB2      CYS  24  -1.989   4.063   7.883
  178   2HB   CYS  24           HB1      CYS  24  -3.394   4.852   7.182
  179    H    GLY  25           HN       GLY  25  -4.300   2.614   4.198
  180   1HA   GLY  25           HA2      GLY  25  -3.398   4.295   2.162
  181   2HA   GLY  25           HA1      GLY  25  -4.996   3.741   2.291
  182    H    SER  26           HN       SER  26  -5.486   5.961   1.353
  183    HA   SER  26           HA       SER  26  -5.208   8.217   3.206
  184   1HB   SER  26           HB2      SER  26  -5.271   8.897   0.946
  185   2HB   SER  26           HB1      SER  26  -6.608   7.819   0.562
  186    HG   SER  26           HG       SER  26  -6.902  10.263   1.017
  187    H    ASP  27           HN       ASP  27  -7.688   5.861   2.375
  188    HA   ASP  27           HA       ASP  27  -9.829   7.207   3.793
  189   1HB   ASP  27           HB2      ASP  27 -10.980   4.984   3.596
  190   2HB   ASP  27           HB1      ASP  27 -10.375   5.597   2.057
  191    H    ASN  28           HN       ASN  28  -7.048   5.865   4.954
  192    HA   ASN  28           HA       ASN  28  -6.413   5.442   7.173
  193   1HB   ASN  28           HB2      ASN  28  -9.331   5.488   7.954
  194   2HB   ASN  28           HB1      ASN  28  -7.922   5.832   8.955
  195   1HD2  ASN  28          HD22      ASN  28  -7.426   9.109   7.434
  196   2HD2  ASN  28          HD21      ASN  28  -6.518   7.766   7.934
  197    H    LYS  29           HN       LYS  29  -7.209   3.427   5.149
  198    HA   LYS  29           HA       LYS  29  -8.273   1.262   6.859
  199   1HB   LYS  29           HB2      LYS  29  -9.356   1.356   4.741
  200   2HB   LYS  29           HB1      LYS  29  -7.834   1.578   3.883
  201   1HG   LYS  29           HG2      LYS  29  -8.507  -0.707   3.594
  202   2HG   LYS  29           HG1      LYS  29  -7.129  -0.676   4.689
  203   1HD   LYS  29           HD2      LYS  29  -8.343  -1.653   6.318
  204   2HD   LYS  29           HD1      LYS  29  -9.560  -0.380   6.206
  205   1HE   LYS  29           HE2      LYS  29 -10.401  -1.640   4.109
  206   2HE   LYS  29           HE1      LYS  29  -9.439  -2.994   4.703
  207   1HZ   LYS  29           HZ1      LYS  29 -10.640  -2.651   6.880
  208   2HZ   LYS  29           HZ3      LYS  29 -11.711  -1.644   6.035
  209   3HZ   LYS  29           HZ2      LYS  29 -11.568  -3.281   5.604
  210    H    THR  30           HN       THR  30  -6.924  -0.418   7.494
  211    HA   THR  30           HA       THR  30  -4.052   0.029   7.066
  212    HB   THR  30           HB       THR  30  -5.414  -2.155   8.660
  213    HG1  THR  30           HG1      THR  30  -4.957  -0.754  10.412
  214   1HG2  THR  30          HG22      THR  30  -2.581  -1.091   8.541
  215   2HG2  THR  30          HG21      THR  30  -3.169  -2.146   9.826
  216   3HG2  THR  30          HG23      THR  30  -3.126  -2.725   8.161
  217    H    TYR  31           HN       TYR  31  -2.944  -0.926   5.497
  218    HA   TYR  31           HA       TYR  31  -4.066  -3.325   4.162
  219   1HB   TYR  31           HB2      TYR  31  -1.893  -1.379   3.265
  220   2HB   TYR  31           HB1      TYR  31  -2.396  -2.783   2.397
  221    HD1  TYR  31           HD2      TYR  31  -4.886  -3.060   1.785
  222    HD2  TYR  31           HD1      TYR  31  -3.132   0.647   3.053
  223    HE1  TYR  31           HE2      TYR  31  -6.805  -1.825   0.821
  224    HE2  TYR  31           HE1      TYR  31  -5.055   1.884   2.094
  225    HH   TYR  31           HH       TYR  31  -7.733   0.157   0.489
  226    H    GLY  32           HN       GLY  32  -2.907  -5.280   4.240
  227   1HA   GLY  32           HA2      GLY  32  -1.368  -5.770   6.503
  228   2HA   GLY  32           HA1      GLY  32  -1.368  -6.828   5.111
  229    H    ASN  33           HN       ASN  33  -0.145  -4.921   3.271
  230    HA   ASN  33           HA       ASN  33   2.301  -4.011   4.498
  231   1HB   ASN  33           HB2      ASN  33   3.851  -5.529   3.373
  232   2HB   ASN  33           HB1      ASN  33   2.766  -6.432   4.419
  233   1HD2  ASN  33          HD22      ASN  33   2.356  -8.517   1.575
  234   2HD2  ASN  33          HD21      ASN  33   3.129  -8.356   3.077
  235    H    LYS  34           HN       LYS  34   3.868  -4.190   2.087
  236    HA   LYS  34           HA       LYS  34   2.970  -1.840   0.805
  237   1HB   LYS  34           HB2      LYS  34   4.761  -2.187  -0.753
  238   2HB   LYS  34           HB1      LYS  34   5.318  -2.814   0.799
  239   1HG   LYS  34           HG2      LYS  34   4.514  -5.098   0.070
  240   2HG   LYS  34           HG1      LYS  34   4.231  -4.414  -1.532
  241   1HD   LYS  34           HD2      LYS  34   6.887  -3.771  -0.475
  242   2HD   LYS  34           HD1      LYS  34   6.621  -5.505  -0.658
  243   1HE   LYS  34           HE2      LYS  34   7.457  -4.787  -2.766
  244   2HE   LYS  34           HE1      LYS  34   5.717  -4.961  -2.997
  245   1HZ   LYS  34           HZ3      LYS  34   5.576  -2.529  -2.418
  246   2HZ   LYS  34           HZ2      LYS  34   7.266  -2.470  -2.593
  247   3HZ   LYS  34           HZ1      LYS  34   6.285  -2.894  -3.914
  248    H    CYS  35           HN       CYS  35   2.676  -5.239  -0.352
  249    HA   CYS  35           HA       CYS  35   1.341  -4.467  -2.758
  250   1HB   CYS  35           HB2      CYS  35   1.387  -7.071  -1.226
  251   2HB   CYS  35           HB1      CYS  35   0.670  -6.876  -2.817
  252    H    ASN  36           HN       ASN  36   0.119  -5.526   0.424
  253    HA   ASN  36           HA       ASN  36  -2.634  -5.539  -0.290
  254   1HB   ASN  36           HB2      ASN  36  -1.733  -4.571   2.414
  255   2HB   ASN  36           HB1      ASN  36  -3.096  -5.611   2.008
  256   1HD2  ASN  36          HD22      ASN  36  -0.373  -8.207   1.186
  257   2HD2  ASN  36          HD21      ASN  36  -1.268  -7.208   0.156
  258    H    PHE  37           HN       PHE  37  -0.378  -2.945   0.256
  259    HA   PHE  37           HA       PHE  37  -2.461  -0.921   0.636
  260   1HB   PHE  37           HB2      PHE  37  -0.314  -0.548   1.658
  261   2HB   PHE  37           HB1      PHE  37   0.520  -0.643   0.256
  262    HD1  PHE  37           HD1      PHE  37  -2.694   0.976   0.854
  263    HD2  PHE  37           HD2      PHE  37   1.414   1.475  -0.154
  264    HE1  PHE  37           HE1      PHE  37  -3.133   3.381   0.360
  265    HE2  PHE  37           HE2      PHE  37   1.014   3.881  -0.652
  266    HZ   PHE  37           HZ       PHE  37  -1.270   4.831  -0.393
  267    H    CYS  38           HN       CYS  38   0.063  -1.264  -1.789
  268    HA   CYS  38           HA       CYS  38  -0.995   0.577  -3.632
  269   1HB   CYS  38           HB2      CYS  38   1.290  -0.284  -3.872
  270   2HB   CYS  38           HB1      CYS  38   0.660  -1.883  -4.276
  271    H    ASN  39           HN       ASN  39  -1.510  -2.982  -3.533
  272    HA   ASN  39           HA       ASN  39  -3.050  -3.369  -5.787
  273   1HB   ASN  39           HB2      ASN  39  -3.141  -4.464  -3.006
  274   2HB   ASN  39           HB1      ASN  39  -4.488  -4.829  -4.071
  275   1HD2  ASN  39          HD22      ASN  39  -1.483  -7.214  -4.464
  276   2HD2  ASN  39          HD21      ASN  39  -2.124  -6.534  -3.050
  277    H    ALA  40           HN       ALA  40  -3.839  -1.577  -2.911
  278    HA   ALA  40           HA       ALA  40  -6.657  -1.189  -3.520
  279   1HB   ALA  40           HB1      ALA  40  -4.995  -0.710  -1.324
  280   2HB   ALA  40           HB3      ALA  40  -5.376   0.905  -1.920
  281   3HB   ALA  40           HB2      ALA  40  -6.676  -0.199  -1.470
  282    H    VAL  41           HN       VAL  41  -3.695   0.773  -3.763
  283    HA   VAL  41           HA       VAL  41  -4.738   3.066  -5.035
  284    HB   VAL  41           HB       VAL  41  -2.074   1.678  -5.458
  285   1HG1  VAL  41          HG12      VAL  41  -3.200   3.822  -6.907
  286   2HG1  VAL  41          HG11      VAL  41  -2.048   4.552  -5.789
  287   3HG1  VAL  41          HG13      VAL  41  -1.515   3.302  -6.914
  288   1HG2  VAL  41          HG23      VAL  41  -3.231   3.275  -3.311
  289   2HG2  VAL  41          HG22      VAL  41  -1.744   2.331  -3.322
  290   3HG2  VAL  41          HG21      VAL  41  -1.743   3.986  -3.929
  291    H    VAL  42           HN       VAL  42  -3.317   0.200  -6.621
  292    HA   VAL  42           HA       VAL  42  -3.887   0.950  -9.280
  293    HB   VAL  42           HB       VAL  42  -3.640  -1.510  -9.739
  294   1HG1  VAL  42          HG13      VAL  42  -1.743   0.253  -8.988
  295   2HG1  VAL  42          HG12      VAL  42  -1.559  -0.937  -7.700
  296   3HG1  VAL  42          HG11      VAL  42  -1.377  -1.426  -9.384
  297   1HG2  VAL  42          HG23      VAL  42  -4.012  -1.550  -6.778
  298   2HG2  VAL  42          HG22      VAL  42  -4.575  -2.701  -7.990
  299   3HG2  VAL  42          HG21      VAL  42  -2.886  -2.708  -7.482
  300    H    GLU  43           HN       GLU  43  -5.905  -0.556  -6.833
  301    HA   GLU  43           HA       GLU  43  -8.001  -1.194  -8.795
  302   1HB   GLU  43           HB2      GLU  43  -7.359  -2.351  -6.439
  303   2HB   GLU  43           HB1      GLU  43  -8.608  -1.247  -5.883
  304   1HG   GLU  43           HG2      GLU  43 -10.062  -2.111  -7.771
  305   2HG   GLU  43           HG1      GLU  43  -8.846  -3.363  -8.027
  306    H    SER  44           HN       SER  44  -6.984   1.471  -6.967
  307    HA   SER  44           HA       SER  44  -9.688   2.696  -7.102
  308   1HB   SER  44           HB2      SER  44  -9.143   3.976  -5.275
  309   2HB   SER  44           HB1      SER  44  -8.033   2.639  -4.978
  310    HG   SER  44           HG       SER  44  -6.935   4.620  -4.916
  311    H    ASN  45           HN       ASN  45  -6.884   2.502  -8.864
  312    HA   ASN  45           HA       ASN  45  -6.177   3.693 -10.737
  313   1HB   ASN  45           HB2      ASN  45  -7.774   4.815 -11.867
  314   2HB   ASN  45           HB1      ASN  45  -8.850   4.370 -10.553
  315   1HD2  ASN  45          HD22      ASN  45  -7.542   8.241 -10.860
  316   2HD2  ASN  45          HD21      ASN  45  -6.758   7.020 -11.742
  317    H    GLY  46           HN       GLY  46  -5.713   4.371  -7.735
  318   1HA   GLY  46           HA2      GLY  46  -3.908   5.593  -6.825
  319   2HA   GLY  46           HA1      GLY  46  -3.808   6.537  -8.292
  320    H    THR  47           HN       THR  47  -7.008   6.435  -7.144
  321    HA   THR  47           HA       THR  47  -6.785   9.228  -6.224
  322    HB   THR  47           HB       THR  47  -9.240   9.093  -5.974
  323    HG1  THR  47           HG1      THR  47 -10.277   7.189  -6.303
  324   1HG2  THR  47          HG22      THR  47  -7.914   8.108  -8.477
  325   2HG2  THR  47          HG21      THR  47  -9.667   8.291  -8.416
  326   3HG2  THR  47          HG23      THR  47  -8.625   9.689  -8.146
  327    H    LEU  48           HN       LEU  48  -6.171   6.324  -4.858
  328    HA   LEU  48           HA       LEU  48  -7.431   6.642  -2.271
  329   1HB   LEU  48           HB2      LEU  48  -7.071   4.420  -2.879
  330   2HB   LEU  48           HB1      LEU  48  -5.498   4.769  -3.585
  331    HG   LEU  48           HG       LEU  48  -4.708   5.258  -1.196
  332   1HD1  LEU  48          HD11      LEU  48  -7.359   3.916  -0.664
  333   2HD1  LEU  48          HD13      LEU  48  -6.081   4.092   0.539
  334   3HD1  LEU  48          HD12      LEU  48  -6.859   5.524  -0.136
  335   1HD2  LEU  48          HD23      LEU  48  -5.107   2.824  -2.653
  336   2HD2  LEU  48          HD22      LEU  48  -3.804   3.234  -1.537
  337   3HD2  LEU  48          HD21      LEU  48  -5.286   2.494  -0.929
  338    H    THR  49           HN       THR  49  -4.004   6.204  -2.916
  339    HA   THR  49           HA       THR  49  -2.103   7.187  -2.029
  340    HB   THR  49           HB       THR  49  -2.067   9.504  -1.747
  341    HG1  THR  49           HG1      THR  49  -3.765  10.679  -1.058
  342   1HG2  THR  49          HG23      THR  49  -4.240   8.719  -3.659
  343   2HG2  THR  49          HG22      THR  49  -3.608  10.363  -3.564
  344   3HG2  THR  49          HG21      THR  49  -2.540   9.030  -4.010
  345    H    LEU  50           HN       LEU  50  -1.166   7.344   0.009
  346    HA   LEU  50           HA       LEU  50  -3.042   6.671   2.205
  347   1HB   LEU  50           HB2      LEU  50  -1.625   4.984   2.601
  348   2HB   LEU  50           HB1      LEU  50  -0.658   5.513   1.240
  349    HG   LEU  50           HG       LEU  50  -0.234   6.886   3.858
  350   1HD1  LEU  50          HD13      LEU  50   0.678   4.119   3.108
  351   2HD1  LEU  50          HD12      LEU  50   1.357   5.066   4.434
  352   3HD1  LEU  50          HD11      LEU  50  -0.335   4.565   4.481
  353   1HD2  LEU  50          HD23      LEU  50   1.508   5.997   1.542
  354   2HD2  LEU  50          HD22      LEU  50   1.017   7.652   1.908
  355   3HD2  LEU  50          HD21      LEU  50   2.119   6.800   2.989
  356    H    SER  51           HN       SER  51  -2.157   7.336   4.461
  357    HA   SER  51           HA       SER  51  -1.383  10.216   4.288
  358   1HB   SER  51           HB2      SER  51  -3.556   9.113   5.587
  359   2HB   SER  51           HB1      SER  51  -2.358   9.128   6.844
  360    HG   SER  51           HG       SER  51  -3.780  11.148   5.941
  361    H    HIS  52           HN       HIS  52  -0.653   7.083   5.654
  362    HA   HIS  52           HA       HIS  52   2.060   7.901   6.321
  363   1HB   HIS  52           HB2      HIS  52   1.854   7.530   8.736
  364   2HB   HIS  52           HB1      HIS  52   0.765   8.822   8.231
  365    HD1  HIS  52           HD1      HIS  52   0.543   6.405  10.567
  366    HD2  HIS  52           HD2      HIS  52  -1.766   6.965   7.127
  367    HE1  HIS  52           HE1      HIS  52  -1.616   5.144  10.928
  368    H    PHE  53           HN       PHE  53   3.299   6.072   7.133
  369    HA   PHE  53           HA       PHE  53   2.405   3.532   6.023
  370   1HB   PHE  53           HB2      PHE  53   4.854   4.370   7.595
  371   2HB   PHE  53           HB1      PHE  53   4.588   2.711   7.060
  372    HD1  PHE  53           HD2      PHE  53   4.559   6.216   5.724
  373    HD2  PHE  53           HD1      PHE  53   5.348   2.065   4.952
  374    HE1  PHE  53           HE2      PHE  53   5.416   6.799   3.471
  375    HE2  PHE  53           HE1      PHE  53   6.204   2.647   2.698
  376    HZ   PHE  53           HZ       PHE  53   6.238   5.014   1.958
  377    H    GLY  54           HN       GLY  54   3.275   1.659   7.897
  378   1HA   GLY  54           HA2      GLY  54   2.568   0.518   9.817
  379   2HA   GLY  54           HA1      GLY  54   2.319   2.082  10.542
  380    H    LYS  55           HN       LYS  55   0.409   0.907  11.480
  381    HA   LYS  55           HA       LYS  55  -1.871   0.690   9.599
  382   1HB   LYS  55           HB2      LYS  55  -2.153   0.218  12.556
  383   2HB   LYS  55           HB1      LYS  55  -3.030  -0.516  11.229
  384   1HG   LYS  55           HG2      LYS  55  -1.617  -2.223  12.035
  385   2HG   LYS  55           HG1      LYS  55  -0.852  -1.670  10.556
  386   1HD   LYS  55           HD2      LYS  55   0.977  -0.927  11.686
  387   2HD   LYS  55           HD1      LYS  55  -0.003  -0.201  12.961
  388   1HE   LYS  55           HE2      LYS  55   0.022  -2.097  14.256
  389   2HE   LYS  55           HE1      LYS  55   0.084  -3.175  12.863
  390   1HZ   LYS  55           HZ1      LYS  55   2.424  -1.953  12.628
  391   2HZ   LYS  55           HZ3      LYS  55   2.249  -1.887  14.312
  392   3HZ   LYS  55           HZ2      LYS  55   2.214  -3.386  13.516
  393    H    CYS  56           HN       CYS  56  -3.993   1.675  10.880
  394    HA   CYS  56           HA       CYS  56  -3.373   4.528  11.069
  395   1HB   CYS  56           HB2      CYS  56  -5.918   2.916  11.091
  396   2HB   CYS  56           HB1      CYS  56  -5.925   4.636  11.492
   
  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   6.749  13.911  10.684
    2   2H    LEU   1           HT2      LEU   1   5.753  12.992  11.710
    3   3H    LEU   1           HT1      LEU   1   6.816  12.217  10.635
    4    HA   LEU   1           HA       LEU   1   4.841  12.007   9.509
    5   1HB   LEU   1           HB2      LEU   1   4.172  14.336  11.132
    6   2HB   LEU   1           HB1      LEU   1   3.600  14.517   9.473
    7    HG   LEU   1           HG       LEU   1   1.986  13.358  11.063
    8   1HD1  LEU   1          HD12      LEU   1   2.880  12.527   8.397
    9   2HD1  LEU   1          HD11      LEU   1   2.030  11.253   9.270
   10   3HD1  LEU   1          HD13      LEU   1   1.246  12.809   8.995
   11   1HD2  LEU   1          HD22      LEU   1   4.014  12.020  12.050
   12   2HD2  LEU   1          HD21      LEU   1   2.453  11.216  11.883
   13   3HD2  LEU   1          HD23      LEU   1   3.724  10.932  10.693
   14    H    ALA   2           HN       ALA   2   6.904  12.181   8.083
   15    HA   ALA   2           HA       ALA   2   6.371  14.268   6.058
   16   1HB   ALA   2           HB3      ALA   2   8.926  14.022   7.631
   17   2HB   ALA   2           HB2      ALA   2   8.956  14.630   5.976
   18   3HB   ALA   2           HB1      ALA   2   8.022  15.475   7.208
   19    H    ALA   3           HN       ALA   3   6.021  11.382   6.110
   20    HA   ALA   3           HA       ALA   3   7.658  10.744   3.729
   21   1HB   ALA   3           HB3      ALA   3   7.567   8.983   6.198
   22   2HB   ALA   3           HB2      ALA   3   8.269   8.517   4.648
   23   3HB   ALA   3           HB1      ALA   3   8.984   9.833   5.581
   24    H    VAL   4           HN       VAL   4   6.132  10.185   2.259
   25    HA   VAL   4           HA       VAL   4   4.169   8.104   2.926
   26    HB   VAL   4           HB       VAL   4   3.313  10.913   2.166
   27   1HG1  VAL   4          HG13      VAL   4   2.065   8.293   1.743
   28   2HG1  VAL   4          HG12      VAL   4   1.040   9.403   2.654
   29   3HG1  VAL   4          HG11      VAL   4   1.639   9.863   1.060
   30   1HG2  VAL   4          HG23      VAL   4   2.732   9.153   4.572
   31   2HG2  VAL   4          HG22      VAL   4   3.738  10.603   4.564
   32   3HG2  VAL   4          HG21      VAL   4   2.002  10.731   4.276
   33    H    SER   5           HN       SER   5   5.480   7.070   1.227
   34    HA   SER   5           HA       SER   5   4.332   7.494  -1.413
   35   1HB   SER   5           HB2      SER   5   5.904   9.190  -1.767
   36   2HB   SER   5           HB1      SER   5   7.128   8.400  -0.778
   37    HG   SER   5           HG       SER   5   7.786   7.402  -2.499
   38    H    VAL   6           HN       VAL   6   3.895   5.350  -1.730
   39    HA   VAL   6           HA       VAL   6   6.066   3.379  -1.167
   40    HB   VAL   6           HB       VAL   6   3.757   3.050  -0.149
   41   1HG1  VAL   6          HG11      VAL   6   3.100   2.678  -3.080
   42   2HG1  VAL   6          HG13      VAL   6   2.087   2.043  -1.784
   43   3HG1  VAL   6          HG12      VAL   6   2.338   3.781  -1.935
   44   1HG2  VAL   6          HG21      VAL   6   5.373   1.188  -0.457
   45   2HG2  VAL   6          HG23      VAL   6   3.708   0.641  -0.662
   46   3HG2  VAL   6          HG22      VAL   6   4.727   0.909  -2.075
   47    H    ASP   7           HN       ASP   7   6.278   1.603  -2.834
   48    HA   ASP   7           HA       ASP   7   6.010   2.796  -5.554
   49   1HB   ASP   7           HB2      ASP   7   8.292   2.143  -4.722
   50   2HB   ASP   7           HB1      ASP   7   7.741   0.469  -4.680
   51    H    CYS   8           HN       CYS   8   4.145   2.086  -6.511
   52    HA   CYS   8           HA       CYS   8   3.613  -0.850  -6.423
   53   1HB   CYS   8           HB2      CYS   8   1.452   1.266  -6.551
   54   2HB   CYS   8           HB1      CYS   8   1.257  -0.462  -6.263
   55    H    SER   9           HN       SER   9   5.128   0.078  -8.468
   56    HA   SER   9           HA       SER   9   3.366   0.856 -10.706
   57   1HB   SER   9           HB2      SER   9   5.556   1.931 -10.554
   58   2HB   SER   9           HB1      SER   9   6.355   0.362 -10.576
   59    HG   SER   9           HG       SER   9   6.346   0.688 -12.660
   60    H    GLU  10           HN       GLU  10   4.537  -2.013  -9.301
   61    HA   GLU  10           HA       GLU  10   4.211  -3.517 -11.857
   62   1HB   GLU  10           HB2      GLU  10   5.364  -4.374  -9.184
   63   2HB   GLU  10           HB1      GLU  10   5.255  -5.402 -10.613
   64   1HG   GLU  10           HG2      GLU  10   7.330  -4.605 -11.089
   65   2HG   GLU  10           HG1      GLU  10   6.474  -3.162 -11.633
   66    H    TYR  11           HN       TYR  11   2.133  -2.387  -9.845
   67    HA   TYR  11           HA       TYR  11   0.749  -4.879  -9.088
   68   1HB   TYR  11           HB2      TYR  11   0.423  -1.952  -8.406
   69   2HB   TYR  11           HB1      TYR  11  -0.778  -3.142  -7.925
   70    HD1  TYR  11           HD2      TYR  11   2.699  -2.033  -7.543
   71    HD2  TYR  11           HD1      TYR  11  -0.250  -4.865  -6.231
   72    HE1  TYR  11           HE2      TYR  11   4.173  -2.693  -5.666
   73    HE2  TYR  11           HE1      TYR  11   1.237  -5.530  -4.343
   74    HH   TYR  11           HH       TYR  11   3.972  -5.396  -4.043
   75    HA   PRO  12           HA       PRO  12  -1.425  -4.735  -8.300
   76   1HB   PRO  12           HB2      PRO  12  -3.572  -6.355  -8.882
   77   2HB   PRO  12           HB1      PRO  12  -3.716  -4.622  -8.545
   78   1HG   PRO  12           HG2      PRO  12  -4.016  -6.039 -11.124
   79   2HG   PRO  12           HG1      PRO  12  -4.563  -4.417 -10.672
   80   1HD   PRO  12           HD2      PRO  12  -2.228  -5.124 -12.187
   81   2HD   PRO  12           HD1      PRO  12  -2.757  -3.506 -11.782
   82    H    LYS  13           HN       LYS  13  -0.462  -6.494  -7.403
   83    HA   LYS  13           HA       LYS  13   0.411  -8.688  -9.213
   84   1HB   LYS  13           HB2      LYS  13   1.346  -7.693  -6.520
   85   2HB   LYS  13           HB1      LYS  13   1.893  -9.221  -7.195
   86   1HG   LYS  13           HG2      LYS  13   2.702  -8.039  -9.214
   87   2HG   LYS  13           HG1      LYS  13   2.177  -6.508  -8.513
   88   1HD   LYS  13           HD2      LYS  13   4.395  -6.505  -7.851
   89   2HD   LYS  13           HD1      LYS  13   3.671  -7.331  -6.471
   90   1HE   LYS  13           HE2      LYS  13   4.231  -9.236  -8.565
   91   2HE   LYS  13           HE1      LYS  13   5.688  -8.318  -8.184
   92   1HZ   LYS  13           HZ2      LYS  13   5.270  -8.800  -5.818
   93   2HZ   LYS  13           HZ1      LYS  13   3.969  -9.796  -6.268
   94   3HZ   LYS  13           HZ3      LYS  13   5.547 -10.203  -6.738
   95    HA   PRO  14           HA       PRO  14  -2.565 -11.294  -7.207
   96   1HB   PRO  14           HB2      PRO  14  -1.730 -13.658  -8.336
   97   2HB   PRO  14           HB1      PRO  14  -2.700 -12.446  -9.191
   98   1HG   PRO  14           HG2      PRO  14   0.187 -13.097  -9.502
   99   2HG   PRO  14           HG1      PRO  14  -0.929 -12.366 -10.667
  100   1HD   PRO  14           HD2      PRO  14   1.020 -11.008  -9.153
  101   2HD   PRO  14           HD1      PRO  14  -0.267 -10.255 -10.060
  102    H    ALA  15           HN       ALA  15   0.411 -10.880  -6.204
  103    HA   ALA  15           HA       ALA  15   0.200 -12.928  -4.084
  104   1HB   ALA  15           HB3      ALA  15   2.015 -13.193  -6.254
  105   2HB   ALA  15           HB2      ALA  15   2.968 -12.715  -4.849
  106   3HB   ALA  15           HB1      ALA  15   1.957 -14.158  -4.779
  107    H    CYS  16           HN       CYS  16   0.753 -12.011  -2.122
  108    HA   CYS  16           HA       CYS  16   1.885  -9.258  -2.240
  109   1HB   CYS  16           HB2      CYS  16   0.297 -10.699  -0.100
  110   2HB   CYS  16           HB1      CYS  16   1.015  -9.105   0.126
  111    H    THR  17           HN       THR  17   3.671  -8.685  -0.969
  112    HA   THR  17           HA       THR  17   5.712 -10.602  -0.585
  113    HB   THR  17           HB       THR  17   6.385  -8.678   1.229
  114    HG1  THR  17           HG1      THR  17   5.028  -7.175  -0.672
  115   1HG2  THR  17          HG21      THR  17   6.873  -9.261  -1.551
  116   2HG2  THR  17          HG23      THR  17   6.865  -7.515  -1.301
  117   3HG2  THR  17          HG22      THR  17   7.960  -8.534  -0.367
  118    H    LEU  18           HN       LEU  18   6.652 -10.359   2.028
  119    HA   LEU  18           HA       LEU  18   4.411 -11.498   3.636
  120   1HB   LEU  18           HB2      LEU  18   6.088 -13.060   4.659
  121   2HB   LEU  18           HB1      LEU  18   5.818 -13.355   2.943
  122    HG   LEU  18           HG       LEU  18   7.848 -11.603   2.745
  123   1HD1  LEU  18          HD11      LEU  18   7.771 -12.400   5.539
  124   2HD1  LEU  18          HD13      LEU  18   9.294 -12.871   4.784
  125   3HD1  LEU  18          HD12      LEU  18   8.780 -11.183   4.756
  126   1HD2  LEU  18          HD22      LEU  18   7.714 -14.571   3.036
  127   2HD2  LEU  18          HD21      LEU  18   8.212 -13.603   1.650
  128   3HD2  LEU  18          HD23      LEU  18   9.313 -13.830   3.008
  129    H    GLU  19           HN       GLU  19   7.510  -9.769   3.669
  130    HA   GLU  19           HA       GLU  19   7.801  -9.306   6.399
  131   1HB   GLU  19           HB2      GLU  19   8.940  -7.203   5.768
  132   2HB   GLU  19           HB1      GLU  19   9.442  -8.530   4.720
  133   1HG   GLU  19           HG2      GLU  19   7.077  -6.989   3.805
  134   2HG   GLU  19           HG1      GLU  19   8.614  -6.129   3.773
  135    H    TYR  20           HN       TYR  20   6.750  -8.017   7.832
  136    HA   TYR  20           HA       TYR  20   4.126  -7.031   7.037
  137   1HB   TYR  20           HB2      TYR  20   4.624  -8.107   9.249
  138   2HB   TYR  20           HB1      TYR  20   5.452  -6.626   9.719
  139    HD1  TYR  20           HD2      TYR  20   2.364  -7.128   7.662
  140    HD2  TYR  20           HD1      TYR  20   4.045  -5.590  11.305
  141    HE1  TYR  20           HE2      TYR  20   0.180  -6.109   8.233
  142    HE2  TYR  20           HE1      TYR  20   1.856  -4.573  11.880
  143    HH   TYR  20           HH       TYR  20  -0.389  -4.632  11.370
  144    H    ARG  21           HN       ARG  21   3.739  -5.141   6.274
  145    HA   ARG  21           HA       ARG  21   5.175  -2.722   7.210
  146   1HB   ARG  21           HB2      ARG  21   4.958  -3.459   4.266
  147   2HB   ARG  21           HB1      ARG  21   5.631  -1.963   4.907
  148   1HG   ARG  21           HG2      ARG  21   6.784  -4.565   5.844
  149   2HG   ARG  21           HG1      ARG  21   7.213  -3.978   4.241
  150   1HD   ARG  21           HD2      ARG  21   7.324  -1.905   6.321
  151   2HD   ARG  21           HD1      ARG  21   8.465  -3.226   6.572
  152    HE   ARG  21           HE       ARG  21   8.556  -2.356   3.833
  153   1HH1  ARG  21          HH21      ARG  21   8.649   0.238   5.386
  154   2HH1  ARG  21          HH22      ARG  21  10.351   0.430   5.642
  155   1HH2  ARG  21          HH11      ARG  21  11.108  -2.863   4.867
  156   2HH2  ARG  21          HH12      ARG  21  11.742  -1.325   5.350
  157    HA   PRO  22           HA       PRO  22   0.591  -2.524   6.528
  158   1HB   PRO  22           HB2      PRO  22   0.085  -1.227   8.907
  159   2HB   PRO  22           HB1      PRO  22   0.076  -2.992   8.702
  160   1HG   PRO  22           HG2      PRO  22   2.201  -1.243   9.900
  161   2HG   PRO  22           HG1      PRO  22   1.741  -2.900  10.328
  162   1HD   PRO  22           HD2      PRO  22   3.976  -2.270   8.808
  163   2HD   PRO  22           HD1      PRO  22   3.137  -3.837   8.731
  164    H    LEU  23           HN       LEU  23   0.209  -0.929   5.057
  165    HA   LEU  23           HA       LEU  23   1.139   1.819   5.758
  166   1HB   LEU  23           HB2      LEU  23   0.249   0.912   3.024
  167   2HB   LEU  23           HB1      LEU  23   1.301   2.266   3.449
  168    HG   LEU  23           HG       LEU  23   2.446  -0.130   4.518
  169   1HD1  LEU  23          HD13      LEU  23   1.049  -1.205   2.720
  170   2HD1  LEU  23          HD12      LEU  23   1.949  -0.252   1.539
  171   3HD1  LEU  23          HD11      LEU  23   2.786  -1.443   2.534
  172   1HD2  LEU  23          HD23      LEU  23   3.221   1.735   2.269
  173   2HD2  LEU  23          HD22      LEU  23   3.694   1.870   3.963
  174   3HD2  LEU  23          HD21      LEU  23   4.293   0.531   2.983
  175    H    CYS  24           HN       CYS  24  -0.381   3.424   5.901
  176    HA   CYS  24           HA       CYS  24  -3.196   2.537   5.977
  177   1HB   CYS  24           HB2      CYS  24  -2.703   3.828   7.857
  178   2HB   CYS  24           HB1      CYS  24  -1.660   4.907   6.964
  179    H    GLY  25           HN       GLY  25  -4.859   4.004   4.972
  180   1HA   GLY  25           HA2      GLY  25  -3.932   5.151   2.374
  181   2HA   GLY  25           HA1      GLY  25  -5.292   4.159   2.496
  182    H    SER  26           HN       SER  26  -5.599   6.654   1.421
  183    HA   SER  26           HA       SER  26  -6.312   8.650   3.373
  184   1HB   SER  26           HB2      SER  26  -5.884   9.289   1.054
  185   2HB   SER  26           HB1      SER  26  -7.225   8.292   0.499
  186    HG   SER  26           HG       SER  26  -7.334  10.580   2.177
  187    H    ASP  27           HN       ASP  27  -7.953   5.881   2.047
  188    HA   ASP  27           HA       ASP  27 -10.644   6.639   2.713
  189   1HB   ASP  27           HB2      ASP  27 -10.924   4.039   2.801
  190   2HB   ASP  27           HB1      ASP  27 -10.511   4.799   1.264
  191    H    ASN  28           HN       ASN  28  -7.976   5.948   4.658
  192    HA   ASN  28           HA       ASN  28  -7.857   6.093   7.011
  193   1HB   ASN  28           HB2      ASN  28 -10.397   6.947   6.646
  194   2HB   ASN  28           HB1      ASN  28 -10.704   5.417   7.470
  195   1HD2  ASN  28          HD22      ASN  28  -9.322   8.548   9.589
  196   2HD2  ASN  28          HD21      ASN  28  -9.834   8.686   7.977
  197    H    LYS  29           HN       LYS  29  -7.696   3.647   5.308
  198    HA   LYS  29           HA       LYS  29  -8.339   1.665   7.445
  199   1HB   LYS  29           HB2      LYS  29  -8.012   0.217   5.067
  200   2HB   LYS  29           HB1      LYS  29  -9.521   0.546   5.905
  201   1HG   LYS  29           HG2      LYS  29  -9.518   2.791   4.626
  202   2HG   LYS  29           HG1      LYS  29  -8.286   2.036   3.615
  203   1HD   LYS  29           HD2      LYS  29 -10.400   1.623   2.548
  204   2HD   LYS  29           HD1      LYS  29  -9.898   0.102   3.286
  205   1HE   LYS  29           HE2      LYS  29 -11.751   0.067   4.562
  206   2HE   LYS  29           HE1      LYS  29 -11.362   1.657   5.218
  207   1HZ   LYS  29           HZ2      LYS  29 -12.315   1.812   2.534
  208   2HZ   LYS  29           HZ1      LYS  29 -13.444   1.056   3.553
  209   3HZ   LYS  29           HZ3      LYS  29 -12.875   2.609   3.926
  210    H    THR  30           HN       THR  30  -6.871  -0.422   6.899
  211    HA   THR  30           HA       THR  30  -4.080   0.631   6.565
  212    HB   THR  30           HB       THR  30  -5.110  -1.605   8.345
  213    HG1  THR  30           HG1      THR  30  -5.087  -0.127   9.810
  214   1HG2  THR  30          HG22      THR  30  -2.288  -0.648   7.787
  215   2HG2  THR  30          HG21      THR  30  -2.724  -1.710   9.126
  216   3HG2  THR  30          HG23      THR  30  -2.944  -2.251   7.462
  217    H    TYR  31           HN       TYR  31  -2.534  -1.119   5.840
  218    HA   TYR  31           HA       TYR  31  -3.809  -3.262   4.245
  219   1HB   TYR  31           HB2      TYR  31  -1.890  -1.171   3.134
  220   2HB   TYR  31           HB1      TYR  31  -2.169  -2.726   2.394
  221    HD1  TYR  31           HD1      TYR  31  -3.747   0.465   3.341
  222    HD2  TYR  31           HD2      TYR  31  -4.242  -3.266   1.274
  223    HE1  TYR  31           HE1      TYR  31  -5.828   1.319   2.296
  224    HE2  TYR  31           HE2      TYR  31  -6.320  -2.413   0.226
  225    HH   TYR  31           HH       TYR  31  -8.011  -0.725   0.612
  226    H    GLY  32           HN       GLY  32  -2.949  -5.020   5.148
  227   1HA   GLY  32           HA2      GLY  32  -1.026  -5.485   6.881
  228   2HA   GLY  32           HA1      GLY  32  -1.155  -6.580   5.525
  229    H    ASN  33           HN       ASN  33  -0.049  -5.281   3.418
  230    HA   ASN  33           HA       ASN  33   2.455  -4.026   4.351
  231   1HB   ASN  33           HB2      ASN  33   3.887  -5.554   3.064
  232   2HB   ASN  33           HB1      ASN  33   3.025  -6.399   4.343
  233   1HD2  ASN  33          HD22      ASN  33   2.582  -8.544   1.409
  234   2HD2  ASN  33          HD21      ASN  33   3.798  -8.137   2.517
  235    H    LYS  34           HN       LYS  34   3.897  -3.893   2.139
  236    HA   LYS  34           HA       LYS  34   2.730  -1.807   0.667
  237   1HB   LYS  34           HB2      LYS  34   4.491  -2.604  -1.144
  238   2HB   LYS  34           HB1      LYS  34   5.032  -1.909   0.382
  239   1HG   LYS  34           HG2      LYS  34   5.766  -3.920   1.203
  240   2HG   LYS  34           HG1      LYS  34   4.538  -4.850   0.340
  241   1HD   LYS  34           HD2      LYS  34   6.875  -3.482  -1.024
  242   2HD   LYS  34           HD1      LYS  34   6.891  -5.174  -0.526
  243   1HE   LYS  34           HE2      LYS  34   4.703  -5.397  -1.880
  244   2HE   LYS  34           HE1      LYS  34   5.144  -3.848  -2.598
  245   1HZ   LYS  34           HZ1      LYS  34   7.159  -5.974  -2.490
  246   2HZ   LYS  34           HZ3      LYS  34   5.933  -6.084  -3.657
  247   3HZ   LYS  34           HZ2      LYS  34   6.959  -4.731  -3.629
  248    H    CYS  35           HN       CYS  35   2.606  -5.296  -0.024
  249    HA   CYS  35           HA       CYS  35   1.504  -5.026  -2.618
  250   1HB   CYS  35           HB2      CYS  35   2.281  -7.199  -1.906
  251   2HB   CYS  35           HB1      CYS  35   1.167  -7.201  -0.540
  252    H    ASN  36           HN       ASN  36  -0.314  -6.007   0.293
  253    HA   ASN  36           HA       ASN  36  -2.883  -5.602  -0.611
  254   1HB   ASN  36           HB2      ASN  36  -1.692  -5.032   2.103
  255   2HB   ASN  36           HB1      ASN  36  -3.421  -4.878   1.793
  256   1HD2  ASN  36          HD22      ASN  36  -1.707  -8.600   1.863
  257   2HD2  ASN  36          HD21      ASN  36  -0.727  -7.220   1.766
  258    H    PHE  37           HN       PHE  37  -0.667  -3.037   0.499
  259    HA   PHE  37           HA       PHE  37  -2.638  -0.929   0.355
  260   1HB   PHE  37           HB2      PHE  37  -0.485  -0.811   1.576
  261   2HB   PHE  37           HB1      PHE  37   0.380  -0.641   0.167
  262    HD1  PHE  37           HD1      PHE  37  -2.368   0.999   2.042
  263    HD2  PHE  37           HD2      PHE  37   0.610   1.239  -1.000
  264    HE1  PHE  37           HE1      PHE  37  -2.834   3.437   1.797
  265    HE2  PHE  37           HE2      PHE  37   0.185   3.685  -1.249
  266    HZ   PHE  37           HZ       PHE  37  -1.546   4.778   0.156
  267    H    CYS  38           HN       CYS  38  -0.254  -2.148  -1.774
  268    HA   CYS  38           HA       CYS  38  -0.558  -0.205  -3.872
  269   1HB   CYS  38           HB2      CYS  38   0.563  -3.013  -3.901
  270   2HB   CYS  38           HB1      CYS  38   0.623  -1.925  -5.282
  271    H    ASN  39           HN       ASN  39  -2.160  -3.311  -3.248
  272    HA   ASN  39           HA       ASN  39  -3.462  -3.433  -5.805
  273   1HB   ASN  39           HB2      ASN  39  -3.703  -4.810  -3.174
  274   2HB   ASN  39           HB1      ASN  39  -5.106  -4.859  -4.228
  275   1HD2  ASN  39          HD22      ASN  39  -2.082  -7.288  -5.017
  276   2HD2  ASN  39          HD21      ASN  39  -2.290  -6.496  -3.538
  277    H    ALA  40           HN       ALA  40  -3.991  -1.695  -2.856
  278    HA   ALA  40           HA       ALA  40  -6.775  -1.000  -3.506
  279   1HB   ALA  40           HB1      ALA  40  -4.903  -0.548  -1.262
  280   2HB   ALA  40           HB3      ALA  40  -5.963   0.819  -1.607
  281   3HB   ALA  40           HB2      ALA  40  -6.653  -0.761  -1.236
  282    H    VAL  41           HN       VAL  41  -3.556   0.140  -4.046
  283    HA   VAL  41           HA       VAL  41  -4.329   2.847  -4.863
  284    HB   VAL  41           HB       VAL  41  -1.756   1.261  -5.165
  285   1HG1  VAL  41          HG13      VAL  41  -2.592   3.551  -6.590
  286   2HG1  VAL  41          HG12      VAL  41  -1.464   4.129  -5.364
  287   3HG1  VAL  41          HG11      VAL  41  -0.962   2.882  -6.507
  288   1HG2  VAL  41          HG21      VAL  41  -2.607   2.011  -2.848
  289   2HG2  VAL  41          HG23      VAL  41  -0.967   2.483  -3.293
  290   3HG2  VAL  41          HG22      VAL  41  -2.281   3.654  -3.400
  291    H    VAL  42           HN       VAL  42  -3.878  -0.295  -6.320
  292    HA   VAL  42           HA       VAL  42  -3.937   0.796  -9.062
  293    HB   VAL  42           HB       VAL  42  -3.724  -1.566  -9.756
  294   1HG1  VAL  42          HG12      VAL  42  -1.797  -0.080  -8.663
  295   2HG1  VAL  42          HG11      VAL  42  -1.827  -1.376  -7.469
  296   3HG1  VAL  42          HG13      VAL  42  -1.511  -1.747  -9.162
  297   1HG2  VAL  42          HG21      VAL  42  -4.429  -1.992  -6.895
  298   2HG2  VAL  42          HG23      VAL  42  -4.867  -2.945  -8.312
  299   3HG2  VAL  42          HG22      VAL  42  -3.258  -3.099  -7.606
  300    H    GLU  43           HN       GLU  43  -6.075  -0.454  -6.687
  301    HA   GLU  43           HA       GLU  43  -8.213  -1.016  -8.646
  302   1HB   GLU  43           HB2      GLU  43  -9.530  -1.509  -6.564
  303   2HB   GLU  43           HB1      GLU  43  -8.163  -2.566  -6.767
  304   1HG   GLU  43           HG2      GLU  43  -7.700  -1.984  -4.653
  305   2HG   GLU  43           HG1      GLU  43  -7.146  -0.452  -5.324
  306    H    SER  44           HN       SER  44  -7.214   1.363  -6.288
  307    HA   SER  44           HA       SER  44  -9.735   2.853  -6.518
  308   1HB   SER  44           HB2      SER  44  -8.671   4.437  -4.959
  309   2HB   SER  44           HB1      SER  44  -8.538   2.786  -4.360
  310    HG   SER  44           HG       SER  44  -6.595   4.532  -5.280
  311    H    ASN  45           HN       ASN  45  -7.108   2.516  -8.481
  312    HA   ASN  45           HA       ASN  45  -6.535   3.755 -10.409
  313   1HB   ASN  45           HB2      ASN  45  -9.007   4.872  -9.708
  314   2HB   ASN  45           HB1      ASN  45  -7.902   6.240  -9.740
  315   1HD2  ASN  45          HD22      ASN  45  -9.258   5.026 -13.212
  316   2HD2  ASN  45          HD21      ASN  45 -10.048   4.897 -11.716
  317    H    GLY  46           HN       GLY  46  -5.642   4.109  -7.400
  318   1HA   GLY  46           HA2      GLY  46  -3.659   5.089  -6.565
  319   2HA   GLY  46           HA1      GLY  46  -3.539   6.061  -8.027
  320    H    THR  47           HN       THR  47  -6.615   6.076  -6.497
  321    HA   THR  47           HA       THR  47  -6.111   8.862  -5.583
  322    HB   THR  47           HB       THR  47  -8.076   8.259  -7.116
  323    HG1  THR  47           HG1      THR  47  -8.228  10.176  -6.116
  324   1HG2  THR  47          HG22      THR  47  -8.566   6.171  -5.668
  325   2HG2  THR  47          HG21      THR  47  -9.363   7.294  -4.566
  326   3HG2  THR  47          HG23      THR  47  -9.943   7.124  -6.223
  327    H    LEU  48           HN       LEU  48  -5.658   5.998  -4.270
  328    HA   LEU  48           HA       LEU  48  -7.193   6.240  -1.799
  329   1HB   LEU  48           HB2      LEU  48  -6.691   4.034  -1.732
  330   2HB   LEU  48           HB1      LEU  48  -5.661   4.228  -3.139
  331    HG   LEU  48           HG       LEU  48  -3.783   4.892  -1.616
  332   1HD1  LEU  48          HD13      LEU  48  -5.962   4.883   0.299
  333   2HD1  LEU  48          HD12      LEU  48  -4.652   3.823   0.822
  334   3HD1  LEU  48          HD11      LEU  48  -4.326   5.522   0.477
  335   1HD2  LEU  48          HD21      LEU  48  -4.450   2.468  -2.366
  336   2HD2  LEU  48          HD23      LEU  48  -3.202   2.690  -1.139
  337   3HD2  LEU  48          HD22      LEU  48  -4.843   2.255  -0.661
  338    H    THR  49           HN       THR  49  -3.801   6.466  -2.665
  339    HA   THR  49           HA       THR  49  -1.999   7.528  -1.709
  340    HB   THR  49           HB       THR  49  -2.414   9.779  -0.899
  341    HG1  THR  49           HG1      THR  49  -5.018   9.963  -1.414
  342   1HG2  THR  49          HG21      THR  49  -2.809   8.769  -3.412
  343   2HG2  THR  49          HG23      THR  49  -4.271   9.721  -3.156
  344   3HG2  THR  49          HG22      THR  49  -2.686  10.484  -3.019
  345    H    LEU  50           HN       LEU  50  -0.903   7.007  -0.028
  346    HA   LEU  50           HA       LEU  50  -2.035   6.004   2.419
  347   1HB   LEU  50           HB2      LEU  50   0.010   5.043   1.696
  348   2HB   LEU  50           HB1      LEU  50   0.730   6.615   1.372
  349    HG   LEU  50           HG       LEU  50   0.323   6.914   4.001
  350   1HD1  LEU  50          HD12      LEU  50   0.032   4.041   3.415
  351   2HD1  LEU  50          HD11      LEU  50   1.175   4.419   4.706
  352   3HD1  LEU  50          HD13      LEU  50  -0.501   4.961   4.823
  353   1HD2  LEU  50          HD22      LEU  50   2.504   5.943   2.301
  354   2HD2  LEU  50          HD21      LEU  50   2.530   7.169   3.567
  355   3HD2  LEU  50          HD23      LEU  50   2.672   5.464   3.990
  356    H    SER  51           HN       SER  51  -1.803   7.039   4.522
  357    HA   SER  51           HA       SER  51  -1.517  10.013   4.329
  358   1HB   SER  51           HB2      SER  51  -3.627   8.595   5.460
  359   2HB   SER  51           HB1      SER  51  -2.591   8.893   6.817
  360    HG   SER  51           HG       SER  51  -4.186  10.570   6.244
  361    H    HIS  52           HN       HIS  52  -0.385   7.074   5.731
  362    HA   HIS  52           HA       HIS  52   2.089   8.227   6.621
  363   1HB   HIS  52           HB2      HIS  52   1.787   7.898   9.032
  364   2HB   HIS  52           HB1      HIS  52   0.586   9.039   8.437
  365    HD1  HIS  52           HD1      HIS  52   0.559   6.609  10.810
  366    HD2  HIS  52           HD2      HIS  52  -1.672   6.924   7.293
  367    HE1  HIS  52           HE1      HIS  52  -1.465   5.114  11.096
  368    H    PHE  53           HN       PHE  53   3.481   6.511   7.494
  369    HA   PHE  53           HA       PHE  53   2.746   3.903   6.398
  370   1HB   PHE  53           HB2      PHE  53   5.199   4.932   7.834
  371   2HB   PHE  53           HB1      PHE  53   5.019   3.245   7.344
  372    HD1  PHE  53           HD2      PHE  53   5.042   6.736   6.099
  373    HD2  PHE  53           HD1      PHE  53   5.286   2.574   5.062
  374    HE1  PHE  53           HE2      PHE  53   5.675   7.348   3.793
  375    HE2  PHE  53           HE1      PHE  53   5.932   3.192   2.748
  376    HZ   PHE  53           HZ       PHE  53   6.128   5.579   2.111
  377    H    GLY  54           HN       GLY  54   2.968   1.931   7.777
  378   1HA   GLY  54           HA2      GLY  54   2.740   0.815   9.900
  379   2HA   GLY  54           HA1      GLY  54   2.355   2.356  10.636
  380    H    LYS  55           HN       LYS  55   0.539   0.995  11.551
  381    HA   LYS  55           HA       LYS  55  -1.662   0.471   9.650
  382   1HB   LYS  55           HB2      LYS  55  -2.727   0.021  12.154
  383   2HB   LYS  55           HB1      LYS  55  -1.966  -1.208  11.149
  384   1HG   LYS  55           HG2      LYS  55   0.178  -0.841  12.244
  385   2HG   LYS  55           HG1      LYS  55  -0.490   0.500  13.173
  386   1HD   LYS  55           HD2      LYS  55  -1.905  -0.943  14.433
  387   2HD   LYS  55           HD1      LYS  55  -1.638  -2.292  13.326
  388   1HE   LYS  55           HE2      LYS  55   0.874  -2.011  13.982
  389   2HE   LYS  55           HE1      LYS  55   0.237  -1.133  15.372
  390   1HZ   LYS  55           HZ3      LYS  55  -1.317  -3.370  15.207
  391   2HZ   LYS  55           HZ2      LYS  55   0.245  -3.937  14.851
  392   3HZ   LYS  55           HZ1      LYS  55  -0.050  -3.110  16.305
  393    H    CYS  56           HN       CYS  56  -3.301   1.872   9.313
  394    HA   CYS  56           HA       CYS  56  -3.266   4.518  10.406
  395   1HB   CYS  56           HB2      CYS  56  -4.577   3.237   8.316
  396   2HB   CYS  56           HB1      CYS  56  -5.883   3.645   9.429
   
  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           HT3      LEU   1   7.649  10.812   7.322
    2   2H    LEU   1           HT2      LEU   1   9.082  10.743   8.234
    3   3H    LEU   1           HT1      LEU   1   7.591  10.377   8.961
    4    HA   LEU   1           HA       LEU   1   7.616  12.478   9.675
    5   1HB   LEU   1           HB2      LEU   1  10.043  12.536   8.745
    6   2HB   LEU   1           HB1      LEU   1   9.335  13.385   7.370
    7    HG   LEU   1           HG       LEU   1   8.194  14.688   9.515
    8   1HD1  LEU   1          HD11      LEU   1  10.806  13.519  10.309
    9   2HD1  LEU   1          HD13      LEU   1  10.581  15.227  10.684
   10   3HD1  LEU   1          HD12      LEU   1   9.449  14.030  11.314
   11   1HD2  LEU   1          HD22      LEU   1  10.496  15.198   7.672
   12   2HD2  LEU   1          HD21      LEU   1   8.955  16.046   7.800
   13   3HD2  LEU   1          HD23      LEU   1  10.222  16.337   8.991
   14    H    ALA   2           HN       ALA   2   5.496  11.643   8.266
   15    HA   ALA   2           HA       ALA   2   3.662  12.409   7.023
   16   1HB   ALA   2           HB1      ALA   2   5.138  14.903   7.767
   17   2HB   ALA   2           HB3      ALA   2   3.851  15.027   6.567
   18   3HB   ALA   2           HB2      ALA   2   3.497  14.407   8.180
   19    H    ALA   3           HN       ALA   3   6.456  11.782   5.752
   20    HA   ALA   3           HA       ALA   3   5.624  12.646   3.030
   21   1HB   ALA   3           HB1      ALA   3   8.102  13.413   4.450
   22   2HB   ALA   3           HB3      ALA   3   8.335  12.815   2.808
   23   3HB   ALA   3           HB2      ALA   3   7.286  14.202   3.099
   24    H    VAL   4           HN       VAL   4   5.140  10.142   3.930
   25    HA   VAL   4           HA       VAL   4   7.414   8.433   3.073
   26    HB   VAL   4           HB       VAL   4   5.905   6.579   3.884
   27   1HG1  VAL   4          HG13      VAL   4   7.056   8.764   5.515
   28   2HG1  VAL   4          HG12      VAL   4   5.945   7.684   6.359
   29   3HG1  VAL   4          HG11      VAL   4   7.378   7.030   5.567
   30   1HG2  VAL   4          HG21      VAL   4   3.918   8.437   3.639
   31   2HG2  VAL   4          HG23      VAL   4   3.790   6.987   4.635
   32   3HG2  VAL   4          HG22      VAL   4   4.247   8.524   5.369
   33    H    SER   5           HN       SER   5   7.388   8.580   0.822
   34    HA   SER   5           HA       SER   5   4.824   8.180  -0.599
   35   1HB   SER   5           HB2      SER   5   6.637   8.377  -2.584
   36   2HB   SER   5           HB1      SER   5   5.937   9.785  -1.791
   37    HG   SER   5           HG       SER   5   8.358   9.543  -1.953
   38    H    VAL   6           HN       VAL   6   4.609   6.529  -2.238
   39    HA   VAL   6           HA       VAL   6   6.537   4.274  -2.121
   40    HB   VAL   6           HB       VAL   6   3.597   4.131  -1.418
   41   1HG1  VAL   6          HG13      VAL   6   5.350   2.107  -2.729
   42   2HG1  VAL   6          HG12      VAL   6   4.324   1.538  -1.413
   43   3HG1  VAL   6          HG11      VAL   6   3.600   2.308  -2.825
   44   1HG2  VAL   6          HG22      VAL   6   6.218   3.469  -0.114
   45   2HG2  VAL   6          HG21      VAL   6   4.816   4.296   0.561
   46   3HG2  VAL   6          HG23      VAL   6   4.785   2.548   0.338
   47    H    ASP   7           HN       ASP   7   6.421   2.939  -4.037
   48    HA   ASP   7           HA       ASP   7   5.190   4.359  -6.319
   49   1HB   ASP   7           HB2      ASP   7   6.754   3.279  -7.669
   50   2HB   ASP   7           HB1      ASP   7   7.644   3.457  -6.161
   51    H    CYS   8           HN       CYS   8   4.012   3.123  -7.965
   52    HA   CYS   8           HA       CYS   8   2.806   0.578  -7.007
   53   1HB   CYS   8           HB2      CYS   8   1.415   3.161  -7.420
   54   2HB   CYS   8           HB1      CYS   8   0.626   1.747  -8.125
   55    H    SER   9           HN       SER   9   4.784   1.098  -9.059
   56    HA   SER   9           HA       SER   9   3.359   0.968 -11.625
   57   1HB   SER   9           HB2      SER   9   5.406   2.133 -11.784
   58   2HB   SER   9           HB1      SER   9   6.259   0.937 -10.811
   59    HG   SER   9           HG       SER   9   6.316   1.000 -13.329
   60    H    GLU  10           HN       GLU  10   4.852  -1.205  -9.357
   61    HA   GLU  10           HA       GLU  10   4.546  -3.481 -11.245
   62   1HB   GLU  10           HB2      GLU  10   5.834  -3.263  -8.508
   63   2HB   GLU  10           HB1      GLU  10   5.695  -4.774  -9.408
   64   1HG   GLU  10           HG2      GLU  10   7.696  -4.193 -10.308
   65   2HG   GLU  10           HG1      GLU  10   6.750  -3.086 -11.304
   66    H    TYR  11           HN       TYR  11   2.128  -2.357 -10.467
   67    HA   TYR  11           HA       TYR  11   1.012  -4.522  -8.798
   68   1HB   TYR  11           HB2      TYR  11   0.751  -1.543  -8.384
   69   2HB   TYR  11           HB1      TYR  11  -0.436  -2.662  -7.722
   70    HD1  TYR  11           HD1      TYR  11   0.393  -4.571  -6.215
   71    HD2  TYR  11           HD2      TYR  11   2.850  -1.243  -7.357
   72    HE1  TYR  11           HE1      TYR  11   1.963  -5.093  -4.361
   73    HE2  TYR  11           HE2      TYR  11   4.416  -1.759  -5.504
   74    HH   TYR  11           HH       TYR  11   4.722  -2.982  -3.645
   75    HA   PRO  12           HA       PRO  12  -1.024  -4.352  -7.857
   76   1HB   PRO  12           HB2      PRO  12  -3.163  -6.072  -8.063
   77   2HB   PRO  12           HB1      PRO  12  -3.332  -4.320  -7.880
   78   1HG   PRO  12           HG2      PRO  12  -3.837  -5.989 -10.268
   79   2HG   PRO  12           HG1      PRO  12  -4.387  -4.342  -9.922
   80   1HD   PRO  12           HD2      PRO  12  -2.177  -5.147 -11.566
   81   2HD   PRO  12           HD1      PRO  12  -2.731  -3.528 -11.315
   82    H    LYS  13           HN       LYS  13  -0.287  -6.228  -6.772
   83    HA   LYS  13           HA       LYS  13   0.775  -8.350  -8.562
   84   1HB   LYS  13           HB2      LYS  13   1.664  -7.056  -6.069
   85   2HB   LYS  13           HB1      LYS  13   1.883  -8.803  -6.097
   86   1HG   LYS  13           HG2      LYS  13   2.910  -8.451  -8.439
   87   2HG   LYS  13           HG1      LYS  13   3.011  -6.748  -7.995
   88   1HD   LYS  13           HD2      LYS  13   4.889  -7.164  -6.836
   89   2HD   LYS  13           HD1      LYS  13   3.991  -8.268  -5.793
   90   1HE   LYS  13           HE2      LYS  13   4.600 -10.143  -7.019
   91   2HE   LYS  13           HE1      LYS  13   4.838  -9.219  -8.504
   92   1HZ   LYS  13           HZ1      LYS  13   6.572  -8.672  -6.203
   93   2HZ   LYS  13           HZ3      LYS  13   6.866 -10.064  -7.126
   94   3HZ   LYS  13           HZ2      LYS  13   6.902  -8.535  -7.864
   95    HA   PRO  14           HA       PRO  14  -2.245 -11.090  -6.821
   96   1HB   PRO  14           HB2      PRO  14  -1.254 -13.389  -7.946
   97   2HB   PRO  14           HB1      PRO  14  -2.193 -12.185  -8.844
   98   1HG   PRO  14           HG2      PRO  14   0.735 -12.728  -8.933
   99   2HG   PRO  14           HG1      PRO  14  -0.313 -12.030 -10.176
  100   1HD   PRO  14           HD2      PRO  14   1.455 -10.598  -8.519
  101   2HD   PRO  14           HD1      PRO  14   0.175  -9.901  -9.491
  102    H    ALA  15           HN       ALA  15   0.646 -10.629  -5.571
  103    HA   ALA  15           HA       ALA  15   0.284 -12.387  -3.339
  104   1HB   ALA  15           HB2      ALA  15   1.417 -13.691  -5.514
  105   2HB   ALA  15           HB1      ALA  15   2.814 -13.238  -4.539
  106   3HB   ALA  15           HB3      ALA  15   1.526 -14.213  -3.834
  107    H    CYS  16           HN       CYS  16   2.000 -12.087  -1.730
  108    HA   CYS  16           HA       CYS  16   4.007  -9.991  -2.345
  109   1HB   CYS  16           HB2      CYS  16   1.880  -8.876  -1.507
  110   2HB   CYS  16           HB1      CYS  16   2.122  -9.735   0.013
  111    H    THR  17           HN       THR  17   5.593  -9.778  -0.520
  112    HA   THR  17           HA       THR  17   6.513 -12.293   0.422
  113    HB   THR  17           HB       THR  17   7.619 -10.634   2.232
  114    HG1  THR  17           HG1      THR  17   6.530  -8.810   1.777
  115   1HG2  THR  17          HG21      THR  17   8.291 -10.684  -0.724
  116   2HG2  THR  17          HG23      THR  17   9.391 -10.198   0.566
  117   3HG2  THR  17          HG22      THR  17   8.822 -11.865   0.473
  118    H    LEU  18           HN       LEU  18   6.849 -12.067   3.217
  119    HA   LEU  18           HA       LEU  18   4.003 -11.994   4.106
  120   1HB   LEU  18           HB2      LEU  18   4.957 -13.788   5.824
  121   2HB   LEU  18           HB1      LEU  18   4.411 -14.261   4.218
  122    HG   LEU  18           HG       LEU  18   6.819 -13.926   3.439
  123   1HD1  LEU  18          HD12      LEU  18   7.367 -12.620   5.607
  124   2HD1  LEU  18          HD11      LEU  18   7.476 -14.202   6.373
  125   3HD1  LEU  18          HD13      LEU  18   8.556 -13.788   5.044
  126   1HD2  LEU  18          HD22      LEU  18   5.613 -16.080   4.987
  127   2HD2  LEU  18          HD21      LEU  18   6.619 -16.173   3.541
  128   3HD2  LEU  18          HD23      LEU  18   7.370 -16.080   5.134
  129    H    GLU  19           HN       GLU  19   7.066 -10.632   4.595
  130    HA   GLU  19           HA       GLU  19   7.141 -10.317   7.401
  131   1HB   GLU  19           HB2      GLU  19   8.386  -8.205   6.938
  132   2HB   GLU  19           HB1      GLU  19   9.000  -9.555   5.986
  133   1HG   GLU  19           HG2      GLU  19   6.815  -8.022   4.713
  134   2HG   GLU  19           HG1      GLU  19   8.323  -7.138   4.927
  135    H    TYR  20           HN       TYR  20   6.776  -7.742   8.088
  136    HA   TYR  20           HA       TYR  20   3.999  -7.154   7.205
  137   1HB   TYR  20           HB2      TYR  20   4.186  -8.284   9.477
  138   2HB   TYR  20           HB1      TYR  20   4.863  -6.771  10.060
  139    HD1  TYR  20           HD2      TYR  20   2.180  -7.181   7.456
  140    HD2  TYR  20           HD1      TYR  20   3.127  -6.020  11.491
  141    HE1  TYR  20           HE2      TYR  20  -0.094  -6.256   7.726
  142    HE2  TYR  20           HE1      TYR  20   0.840  -5.107  11.757
  143    HH   TYR  20           HH       TYR  20  -1.376  -4.882   9.034
  144    H    ARG  21           HN       ARG  21   3.811  -5.289   6.429
  145    HA   ARG  21           HA       ARG  21   5.110  -2.901   7.569
  146   1HB   ARG  21           HB2      ARG  21   5.529  -3.789   4.687
  147   2HB   ARG  21           HB1      ARG  21   5.940  -2.191   5.307
  148   1HG   ARG  21           HG2      ARG  21   7.024  -4.681   6.616
  149   2HG   ARG  21           HG1      ARG  21   7.823  -3.974   5.213
  150   1HD   ARG  21           HD2      ARG  21   8.711  -2.318   6.459
  151   2HD   ARG  21           HD1      ARG  21   7.143  -1.935   7.169
  152    HE   ARG  21           HE       ARG  21   8.050  -4.309   8.405
  153   1HH1  ARG  21          HH11      ARG  21   8.751  -0.942   8.153
  154   2HH1  ARG  21          HH12      ARG  21   9.622  -0.880   9.647
  155   1HH2  ARG  21          HH21      ARG  21   9.264  -4.262  10.310
  156   2HH2  ARG  21          HH22      ARG  21   9.916  -2.757  10.866
  157    HA   PRO  22           HA       PRO  22   0.683  -2.874   6.077
  158   1HB   PRO  22           HB2      PRO  22  -0.224  -1.695   8.421
  159   2HB   PRO  22           HB1      PRO  22  -0.165  -3.453   8.127
  160   1HG   PRO  22           HG2      PRO  22   1.711  -1.722   9.707
  161   2HG   PRO  22           HG1      PRO  22   1.220  -3.398  10.000
  162   1HD   PRO  22           HD2      PRO  22   3.648  -2.710   8.901
  163   2HD   PRO  22           HD1      PRO  22   2.834  -4.257   8.575
  164    H    LEU  23           HN       LEU  23  -0.217  -1.140   5.030
  165    HA   LEU  23           HA       LEU  23   0.776   1.558   5.849
  166   1HB   LEU  23           HB2      LEU  23   0.251   0.632   3.014
  167   2HB   LEU  23           HB1      LEU  23   0.961   2.169   3.520
  168    HG   LEU  23           HG       LEU  23   2.538   0.312   4.822
  169   1HD1  LEU  23          HD13      LEU  23   1.519  -0.796   2.232
  170   2HD1  LEU  23          HD12      LEU  23   3.197  -1.093   2.685
  171   3HD1  LEU  23          HD11      LEU  23   1.890  -1.634   3.738
  172   1HD2  LEU  23          HD23      LEU  23   2.775   2.341   2.891
  173   2HD2  LEU  23          HD22      LEU  23   4.080   1.579   3.800
  174   3HD2  LEU  23          HD21      LEU  23   3.617   0.944   2.220
  175    H    CYS  24           HN       CYS  24  -0.782   3.192   5.814
  176    HA   CYS  24           HA       CYS  24  -3.572   2.209   5.484
  177   1HB   CYS  24           HB2      CYS  24  -2.858   3.274   7.674
  178   2HB   CYS  24           HB1      CYS  24  -2.707   4.795   6.800
  179    H    GLY  25           HN       GLY  25  -5.125   3.754   4.500
  180   1HA   GLY  25           HA2      GLY  25  -3.887   5.120   2.182
  181   2HA   GLY  25           HA1      GLY  25  -5.442   4.488   2.225
  182    H    SER  26           HN       SER  26  -5.450   6.916   1.306
  183    HA   SER  26           HA       SER  26  -5.559   8.974   3.355
  184   1HB   SER  26           HB2      SER  26  -5.195   9.447   0.911
  185   2HB   SER  26           HB1      SER  26  -6.861   8.965   0.609
  186    HG   SER  26           HG       SER  26  -5.841  11.197   1.978
  187    H    ASP  27           HN       ASP  27  -7.633   6.486   2.261
  188    HA   ASP  27           HA       ASP  27 -10.142   7.679   3.147
  189   1HB   ASP  27           HB2      ASP  27 -11.107   5.569   2.549
  190   2HB   ASP  27           HB1      ASP  27  -9.858   5.883   1.350
  191    H    ASN  28           HN       ASN  28  -7.477   6.263   4.675
  192    HA   ASN  28           HA       ASN  28  -7.131   5.998   6.997
  193   1HB   ASN  28           HB2      ASN  28  -9.600   7.244   7.000
  194   2HB   ASN  28           HB1      ASN  28  -9.938   5.701   7.781
  195   1HD2  ASN  28          HD22      ASN  28  -7.173   8.187   9.557
  196   2HD2  ASN  28          HD21      ASN  28  -7.371   8.244   7.872
  197    H    LYS  29           HN       LYS  29  -7.459   3.921   4.964
  198    HA   LYS  29           HA       LYS  29  -8.542   1.706   6.631
  199   1HB   LYS  29           HB2      LYS  29  -9.709   1.757   4.560
  200   2HB   LYS  29           HB1      LYS  29  -8.239   2.055   3.639
  201   1HG   LYS  29           HG2      LYS  29  -7.397  -0.131   4.125
  202   2HG   LYS  29           HG1      LYS  29  -8.727  -0.464   5.232
  203   1HD   LYS  29           HD2      LYS  29  -9.796   0.355   2.685
  204   2HD   LYS  29           HD1      LYS  29  -8.645  -0.959   2.437
  205   1HE   LYS  29           HE2      LYS  29 -10.726  -2.035   2.850
  206   2HE   LYS  29           HE1      LYS  29  -9.837  -2.157   4.367
  207   1HZ   LYS  29           HZ2      LYS  29 -10.999  -0.051   5.033
  208   2HZ   LYS  29           HZ1      LYS  29 -12.006  -0.261   3.681
  209   3HZ   LYS  29           HZ3      LYS  29 -11.992  -1.425   4.914
  210    H    THR  30           HN       THR  30  -7.134   0.004   7.144
  211    HA   THR  30           HA       THR  30  -4.274   0.514   6.604
  212    HB   THR  30           HB       THR  30  -5.711  -1.480   8.374
  213    HG1  THR  30           HG1      THR  30  -5.578   0.218   9.592
  214   1HG2  THR  30          HG22      THR  30  -2.737  -1.139   7.871
  215   2HG2  THR  30          HG21      THR  30  -3.425  -2.094   9.185
  216   3HG2  THR  30          HG23      THR  30  -3.704  -2.568   7.508
  217    H    TYR  31           HN       TYR  31  -2.895  -1.295   5.913
  218    HA   TYR  31           HA       TYR  31  -4.261  -3.380   4.316
  219   1HB   TYR  31           HB2      TYR  31  -2.198  -1.410   3.244
  220   2HB   TYR  31           HB1      TYR  31  -2.520  -2.957   2.513
  221    HD1  TYR  31           HD2      TYR  31  -4.782  -3.504   1.597
  222    HD2  TYR  31           HD1      TYR  31  -3.779   0.397   3.085
  223    HE1  TYR  31           HE2      TYR  31  -6.774  -2.560   0.460
  224    HE2  TYR  31           HE1      TYR  31  -5.772   1.342   1.950
  225    HH   TYR  31           HH       TYR  31  -8.008   0.479   1.146
  226    H    GLY  32           HN       GLY  32  -3.168  -5.347   4.450
  227   1HA   GLY  32           HA2      GLY  32  -1.546  -5.950   6.553
  228   2HA   GLY  32           HA1      GLY  32  -1.402  -6.841   5.052
  229    H    ASN  33           HN       ASN  33  -0.323  -4.996   3.329
  230    HA   ASN  33           HA       ASN  33   1.821  -3.546   4.572
  231   1HB   ASN  33           HB2      ASN  33   3.714  -4.885   3.706
  232   2HB   ASN  33           HB1      ASN  33   2.760  -5.769   4.885
  233   1HD2  ASN  33          HD22      ASN  33   3.111  -8.287   2.326
  234   2HD2  ASN  33          HD21      ASN  33   3.910  -7.639   3.675
  235    H    LYS  34           HN       LYS  34   3.654  -3.456   2.534
  236    HA   LYS  34           HA       LYS  34   2.692  -1.469   0.889
  237   1HB   LYS  34           HB2      LYS  34   4.646  -1.780  -0.473
  238   2HB   LYS  34           HB1      LYS  34   5.095  -2.211   1.179
  239   1HG   LYS  34           HG2      LYS  34   4.602  -4.618   0.609
  240   2HG   LYS  34           HG1      LYS  34   4.381  -4.108  -1.067
  241   1HD   LYS  34           HD2      LYS  34   6.888  -3.270   0.328
  242   2HD   LYS  34           HD1      LYS  34   6.752  -4.949  -0.202
  243   1HE   LYS  34           HE2      LYS  34   7.713  -3.831  -2.057
  244   2HE   LYS  34           HE1      LYS  34   6.003  -3.977  -2.474
  245   1HZ   LYS  34           HZ3      LYS  34   6.628  -1.615  -0.956
  246   2HZ   LYS  34           HZ2      LYS  34   7.414  -1.672  -2.461
  247   3HZ   LYS  34           HZ1      LYS  34   5.721  -1.781  -2.380
  248    H    CYS  35           HN       CYS  35   2.803  -4.942  -0.076
  249    HA   CYS  35           HA       CYS  35   1.713  -4.428  -2.653
  250   1HB   CYS  35           HB2      CYS  35   1.326  -6.993  -1.122
  251   2HB   CYS  35           HB1      CYS  35   1.517  -6.768  -2.853
  252    H    ASN  36           HN       ASN  36   0.088  -5.649   0.312
  253    HA   ASN  36           HA       ASN  36  -2.516  -5.665  -0.829
  254   1HB   ASN  36           HB2      ASN  36  -1.614  -5.292   2.035
  255   2HB   ASN  36           HB1      ASN  36  -3.305  -5.474   1.566
  256   1HD2  ASN  36          HD22      ASN  36  -0.784  -8.700   1.284
  257   2HD2  ASN  36          HD21      ASN  36  -0.145  -7.138   1.443
  258    H    PHE  37           HN       PHE  37  -0.484  -3.037   0.079
  259    HA   PHE  37           HA       PHE  37  -2.681  -1.132   0.486
  260   1HB   PHE  37           HB2      PHE  37  -0.575  -0.707   1.572
  261   2HB   PHE  37           HB1      PHE  37   0.297  -0.702   0.180
  262    HD1  PHE  37           HD1      PHE  37  -2.842   0.907   1.282
  263    HD2  PHE  37           HD2      PHE  37   0.953   1.293  -0.608
  264    HE1  PHE  37           HE1      PHE  37  -3.335   3.313   0.820
  265    HE2  PHE  37           HE2      PHE  37   0.502   3.693  -1.072
  266    HZ   PHE  37           HZ       PHE  37  -1.651   4.699  -0.355
  267    H    CYS  38           HN       CYS  38  -0.203  -1.664  -1.888
  268    HA   CYS  38           HA       CYS  38  -1.129   0.323  -3.726
  269   1HB   CYS  38           HB2      CYS  38   1.180  -0.603  -3.814
  270   2HB   CYS  38           HB1      CYS  38   0.519  -2.120  -4.428
  271    H    ASN  39           HN       ASN  39  -2.141  -2.959  -3.130
  272    HA   ASN  39           HA       ASN  39  -3.427  -3.403  -5.671
  273   1HB   ASN  39           HB2      ASN  39  -3.485  -4.600  -2.965
  274   2HB   ASN  39           HB1      ASN  39  -5.009  -4.701  -3.830
  275   1HD2  ASN  39          HD22      ASN  39  -1.837  -6.414  -5.716
  276   2HD2  ASN  39          HD21      ASN  39  -1.609  -4.934  -4.936
  277    H    ALA  40           HN       ALA  40  -4.098  -1.549  -2.834
  278    HA   ALA  40           HA       ALA  40  -6.898  -0.998  -3.530
  279   1HB   ALA  40           HB2      ALA  40  -4.997  -0.150  -1.344
  280   2HB   ALA  40           HB1      ALA  40  -6.519   0.710  -1.579
  281   3HB   ALA  40           HB3      ALA  40  -6.529  -1.010  -1.199
  282    H    VAL  41           HN       VAL  41  -3.726   0.415  -3.974
  283    HA   VAL  41           HA       VAL  41  -4.749   3.053  -4.770
  284    HB   VAL  41           HB       VAL  41  -2.013   1.760  -5.102
  285   1HG1  VAL  41          HG13      VAL  41  -2.756   3.706  -6.688
  286   2HG1  VAL  41          HG12      VAL  41  -2.564   4.714  -5.253
  287   3HG1  VAL  41          HG11      VAL  41  -1.190   3.806  -5.886
  288   1HG2  VAL  41          HG22      VAL  41  -3.097   3.760  -3.100
  289   2HG2  VAL  41          HG21      VAL  41  -2.578   2.108  -2.760
  290   3HG2  VAL  41          HG23      VAL  41  -1.397   3.323  -3.248
  291    H    VAL  42           HN       VAL  42  -4.072   0.001  -6.230
  292    HA   VAL  42           HA       VAL  42  -4.085   1.057  -8.981
  293    HB   VAL  42           HB       VAL  42  -3.754  -1.356  -9.592
  294   1HG1  VAL  42          HG11      VAL  42  -1.894   0.324  -8.768
  295   2HG1  VAL  42          HG13      VAL  42  -1.813  -0.773  -7.389
  296   3HG1  VAL  42          HG12      VAL  42  -1.507  -1.379  -9.017
  297   1HG2  VAL  42          HG21      VAL  42  -4.510  -1.669  -6.792
  298   2HG2  VAL  42          HG23      VAL  42  -4.511  -2.857  -8.093
  299   3HG2  VAL  42          HG22      VAL  42  -3.027  -2.525  -7.202
  300    H    GLU  43           HN       GLU  43  -6.165  -0.450  -6.667
  301    HA   GLU  43           HA       GLU  43  -8.236  -1.073  -8.677
  302   1HB   GLU  43           HB2      GLU  43  -9.518  -1.786  -6.656
  303   2HB   GLU  43           HB1      GLU  43  -8.042  -2.686  -6.830
  304   1HG   GLU  43           HG2      GLU  43  -7.746  -2.108  -4.675
  305   2HG   GLU  43           HG1      GLU  43  -7.296  -0.525  -5.309
  306    H    SER  44           HN       SER  44  -7.398   1.289  -6.280
  307    HA   SER  44           HA       SER  44 -10.029   2.595  -6.384
  308   1HB   SER  44           HB2      SER  44  -8.809   2.493  -4.249
  309   2HB   SER  44           HB1      SER  44  -7.459   3.365  -4.969
  310    HG   SER  44           HG       SER  44  -9.272   4.515  -3.726
  311    H    ASN  45           HN       ASN  45  -7.509   2.519  -8.460
  312    HA   ASN  45           HA       ASN  45  -7.057   3.905 -10.316
  313   1HB   ASN  45           HB2      ASN  45  -9.544   4.814  -9.531
  314   2HB   ASN  45           HB1      ASN  45  -8.545   6.250  -9.350
  315   1HD2  ASN  45          HD22      ASN  45  -8.096   6.700 -12.838
  316   2HD2  ASN  45          HD21      ASN  45  -7.663   7.224 -11.282
  317    H    GLY  46           HN       GLY  46  -6.109   4.164  -7.286
  318   1HA   GLY  46           HA2      GLY  46  -4.146   5.169  -6.442
  319   2HA   GLY  46           HA1      GLY  46  -4.044   6.154  -7.895
  320    H    THR  47           HN       THR  47  -7.164   6.382  -6.725
  321    HA   THR  47           HA       THR  47  -6.672   9.091  -5.721
  322    HB   THR  47           HB       THR  47  -8.712   8.414  -7.075
  323    HG1  THR  47           HG1      THR  47 -10.127   9.430  -5.258
  324   1HG2  THR  47          HG21      THR  47  -8.945   6.275  -5.628
  325   2HG2  THR  47          HG23      THR  47  -9.773   7.324  -4.478
  326   3HG2  THR  47          HG22      THR  47 -10.418   7.117  -6.107
  327    H    LEU  48           HN       LEU  48  -6.226   6.156  -4.365
  328    HA   LEU  48           HA       LEU  48  -7.479   6.593  -1.771
  329   1HB   LEU  48           HB2      LEU  48  -7.107   4.364  -1.609
  330   2HB   LEU  48           HB1      LEU  48  -6.342   4.419  -3.185
  331    HG   LEU  48           HG       LEU  48  -4.174   4.993  -2.039
  332   1HD1  LEU  48          HD13      LEU  48  -5.809   5.496   0.144
  333   2HD1  LEU  48          HD12      LEU  48  -5.070   3.944   0.537
  334   3HD1  LEU  48          HD11      LEU  48  -4.052   5.341   0.194
  335   1HD2  LEU  48          HD23      LEU  48  -4.912   2.650  -2.691
  336   2HD2  LEU  48          HD22      LEU  48  -3.699   2.732  -1.415
  337   3HD2  LEU  48          HD21      LEU  48  -5.386   2.424  -1.007
  338    H    THR  49           HN       THR  49  -4.193   6.614  -2.995
  339    HA   THR  49           HA       THR  49  -2.230   7.546  -2.256
  340    HB   THR  49           HB       THR  49  -2.466   9.756  -1.140
  341    HG1  THR  49           HG1      THR  49  -5.198   9.536  -1.751
  342   1HG2  THR  49          HG21      THR  49  -2.590   9.114  -3.704
  343   2HG2  THR  49          HG23      THR  49  -4.219   9.771  -3.543
  344   3HG2  THR  49          HG22      THR  49  -2.821  10.779  -3.169
  345    H    LEU  50           HN       LEU  50  -0.992   6.790  -0.761
  346    HA   LEU  50           HA       LEU  50  -1.796   5.624   1.682
  347   1HB   LEU  50           HB2      LEU  50   0.264   4.926   0.729
  348   2HB   LEU  50           HB1      LEU  50   0.820   6.572   0.506
  349    HG   LEU  50           HG       LEU  50   0.633   6.578   3.184
  350   1HD1  LEU  50          HD11      LEU  50  -0.227   4.258   3.249
  351   2HD1  LEU  50          HD13      LEU  50   1.231   3.707   2.428
  352   3HD1  LEU  50          HD12      LEU  50   1.338   4.392   4.050
  353   1HD2  LEU  50          HD22      LEU  50   2.620   7.053   1.790
  354   2HD2  LEU  50          HD21      LEU  50   3.030   6.062   3.189
  355   3HD2  LEU  50          HD23      LEU  50   2.883   5.320   1.596
  356    H    SER  51           HN       SER  51  -1.453   6.427   3.848
  357    HA   SER  51           HA       SER  51  -1.252   9.405   4.006
  358   1HB   SER  51           HB2      SER  51  -3.368   7.857   4.910
  359   2HB   SER  51           HB1      SER  51  -2.372   8.014   6.332
  360    HG   SER  51           HG       SER  51  -2.319  10.367   5.467
  361    H    HIS  52           HN       HIS  52   0.014   6.348   4.944
  362    HA   HIS  52           HA       HIS  52   2.476   7.282   5.925
  363   1HB   HIS  52           HB2      HIS  52   2.235   7.076   8.338
  364   2HB   HIS  52           HB1      HIS  52   1.037   8.233   7.770
  365    HD1  HIS  52           HD1      HIS  52   0.721   6.333  10.357
  366    HD2  HIS  52           HD2      HIS  52  -0.987   5.695   6.602
  367    HE1  HIS  52           HE1      HIS  52  -1.201   4.712  10.697
  368    H    PHE  53           HN       PHE  53   3.737   5.488   6.827
  369    HA   PHE  53           HA       PHE  53   2.897   2.900   5.818
  370   1HB   PHE  53           HB2      PHE  53   5.256   3.877   7.414
  371   2HB   PHE  53           HB1      PHE  53   4.978   2.146   7.209
  372    HD1  PHE  53           HD2      PHE  53   4.467   5.091   4.974
  373    HD2  PHE  53           HD1      PHE  53   6.407   1.304   5.547
  374    HE1  PHE  53           HE2      PHE  53   5.390   5.225   2.693
  375    HE2  PHE  53           HE1      PHE  53   7.337   1.434   3.249
  376    HZ   PHE  53           HZ       PHE  53   6.829   3.397   1.817
  377    H    GLY  54           HN       GLY  54   3.537   1.074   7.757
  378   1HA   GLY  54           HA2      GLY  54   2.625  -0.055   9.584
  379   2HA   GLY  54           HA1      GLY  54   2.487   1.496  10.349
  380    H    LYS  55           HN       LYS  55   0.467   0.408  11.183
  381    HA   LYS  55           HA       LYS  55  -1.782   0.407   9.282
  382   1HB   LYS  55           HB2      LYS  55  -2.948  -0.059  11.710
  383   2HB   LYS  55           HB1      LYS  55  -2.358  -1.316  10.640
  384   1HG   LYS  55           HG2      LYS  55  -0.702  -0.054  12.865
  385   2HG   LYS  55           HG1      LYS  55  -1.604  -1.521  13.016
  386   1HD   LYS  55           HD2      LYS  55  -0.173  -2.780  11.807
  387   2HD   LYS  55           HD1      LYS  55   0.159  -1.478  10.674
  388   1HE   LYS  55           HE2      LYS  55   2.057  -2.243  12.296
  389   2HE   LYS  55           HE1      LYS  55   1.796  -0.516  12.063
  390   1HZ   LYS  55           HZ2      LYS  55   0.204  -1.759  14.143
  391   2HZ   LYS  55           HZ1      LYS  55   1.874  -1.691  14.449
  392   3HZ   LYS  55           HZ3      LYS  55   1.011  -0.264  14.137
  393    H    CYS  56           HN       CYS  56  -3.537   1.840   9.454
  394    HA   CYS  56           HA       CYS  56  -3.092   4.508  10.056
  395   1HB   CYS  56           HB2      CYS  56  -5.401   2.859   9.548
  396   2HB   CYS  56           HB1      CYS  56  -5.780   4.048  10.795
   
  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           HT1      LEU   1  16.932  11.712   0.509
    2   2H    LEU   1           HT3      LEU   1  16.175  10.773   1.701
    3   3H    LEU   1           HT2      LEU   1  17.297  10.059   0.645
    4    HA   LEU   1           HA       LEU   1  15.834  10.445  -1.231
    5   1HB   LEU   1           HB2      LEU   1  15.320   8.706   1.021
    6   2HB   LEU   1           HB1      LEU   1  13.800   9.156   0.247
    7    HG   LEU   1           HG       LEU   1  15.178   8.648  -1.969
    8   1HD1  LEU   1          HD12      LEU   1  16.527   6.951   0.154
    9   2HD1  LEU   1          HD11      LEU   1  16.702   6.714  -1.584
   10   3HD1  LEU   1          HD13      LEU   1  17.297   8.194  -0.832
   11   1HD2  LEU   1          HD23      LEU   1  13.479   7.075  -0.185
   12   2HD2  LEU   1          HD22      LEU   1  13.439   7.200  -1.945
   13   3HD2  LEU   1          HD21      LEU   1  14.531   6.056  -1.167
   14    H    ALA   2           HN       ALA   2  13.022  10.363  -1.040
   15    HA   ALA   2           HA       ALA   2  11.840  12.423   0.515
   16   1HB   ALA   2           HB3      ALA   2  12.833  13.312  -2.208
   17   2HB   ALA   2           HB2      ALA   2  11.672  14.213  -1.233
   18   3HB   ALA   2           HB1      ALA   2  13.316  13.969  -0.644
   19    H    ALA   3           HN       ALA   3  10.317  10.583   0.354
   20    HA   ALA   3           HA       ALA   3   8.208  11.085  -1.516
   21   1HB   ALA   3           HB1      ALA   3  10.118   8.843  -2.157
   22   2HB   ALA   3           HB3      ALA   3   8.425   8.753  -2.642
   23   3HB   ALA   3           HB2      ALA   3   9.445  10.061  -3.241
   24    H    VAL   4           HN       VAL   4   6.685  10.789   0.060
   25    HA   VAL   4           HA       VAL   4   6.900   8.477   1.889
   26    HB   VAL   4           HB       VAL   4   4.961  10.803   1.736
   27   1HG1  VAL   4          HG13      VAL   4   4.695   8.230   3.020
   28   2HG1  VAL   4          HG12      VAL   4   4.807   9.498   4.240
   29   3HG1  VAL   4          HG11      VAL   4   3.557   9.577   2.998
   30   1HG2  VAL   4          HG21      VAL   4   7.336  11.207   2.519
   31   2HG2  VAL   4          HG23      VAL   4   6.098  11.582   3.719
   32   3HG2  VAL   4          HG22      VAL   4   7.021  10.083   3.842
   33    H    SER   5           HN       SER   5   6.587   7.120  -0.206
   34    HA   SER   5           HA       SER   5   3.892   6.070  -0.157
   35   1HB   SER   5           HB2      SER   5   4.311   8.204  -1.946
   36   2HB   SER   5           HB1      SER   5   4.346   6.748  -2.938
   37    HG   SER   5           HG       SER   5   2.221   7.827  -2.352
   38    H    VAL   6           HN       VAL   6   3.714   4.355  -2.052
   39    HA   VAL   6           HA       VAL   6   6.395   3.047  -2.277
   40    HB   VAL   6           HB       VAL   6   3.669   1.718  -2.327
   41   1HG1  VAL   6          HG11      VAL   6   6.247   0.836  -3.097
   42   2HG1  VAL   6          HG13      VAL   6   5.897   0.060  -1.551
   43   3HG1  VAL   6          HG12      VAL   6   4.792  -0.142  -2.911
   44   1HG2  VAL   6          HG21      VAL   6   5.515   2.465  -0.108
   45   2HG2  VAL   6          HG23      VAL   6   3.760   2.292  -0.100
   46   3HG2  VAL   6          HG22      VAL   6   4.788   0.861  -0.033
   47    H    ASP   7           HN       ASP   7   6.997   2.227  -4.317
   48    HA   ASP   7           HA       ASP   7   5.845   3.530  -6.612
   49   1HB   ASP   7           HB2      ASP   7   8.232   2.761  -6.442
   50   2HB   ASP   7           HB1      ASP   7   7.659   1.099  -6.579
   51    H    CYS   8           HN       CYS   8   3.925   2.977  -7.505
   52    HA   CYS   8           HA       CYS   8   2.944   0.193  -7.171
   53   1HB   CYS   8           HB2      CYS   8   1.651   2.832  -7.741
   54   2HB   CYS   8           HB1      CYS   8   0.837   1.355  -8.256
   55    H    SER   9           HN       SER   9   5.052   0.499  -9.029
   56    HA   SER   9           HA       SER   9   3.814   0.689 -11.701
   57   1HB   SER   9           HB2      SER   9   6.641   0.379 -10.707
   58   2HB   SER   9           HB1      SER   9   6.241   0.139 -12.405
   59    HG   SER   9           HG       SER   9   6.033   2.217 -12.613
   60    H    GLU  10           HN       GLU  10   4.305  -1.743  -9.401
   61    HA   GLU  10           HA       GLU  10   4.344  -3.832 -11.545
   62   1HB   GLU  10           HB2      GLU  10   5.167  -5.373  -9.791
   63   2HB   GLU  10           HB1      GLU  10   6.238  -3.986  -9.983
   64   1HG   GLU  10           HG2      GLU  10   4.203  -3.312  -8.077
   65   2HG   GLU  10           HG1      GLU  10   4.926  -4.853  -7.613
   66    H    TYR  11           HN       TYR  11   2.337  -2.294  -9.332
   67    HA   TYR  11           HA       TYR  11   0.669  -4.635  -8.769
   68   1HB   TYR  11           HB2      TYR  11   0.469  -1.701  -8.038
   69   2HB   TYR  11           HB1      TYR  11  -0.678  -2.921  -7.492
   70    HD1  TYR  11           HD1      TYR  11   0.066  -4.776  -5.981
   71    HD2  TYR  11           HD2      TYR  11   2.709  -1.613  -7.174
   72    HE1  TYR  11           HE1      TYR  11   1.664  -5.430  -4.189
   73    HE2  TYR  11           HE2      TYR  11   4.294  -2.253  -5.381
   74    HH   TYR  11           HH       TYR  11   3.591  -3.956  -2.832
   75    HA   PRO  12           HA       PRO  12  -1.483  -4.416  -8.051
   76   1HB   PRO  12           HB2      PRO  12  -3.583  -6.037  -8.803
   77   2HB   PRO  12           HB1      PRO  12  -3.762  -4.325  -8.389
   78   1HG   PRO  12           HG2      PRO  12  -3.917  -5.616 -11.048
   79   2HG   PRO  12           HG1      PRO  12  -4.524  -4.033 -10.537
   80   1HD   PRO  12           HD2      PRO  12  -2.122  -4.600 -11.980
   81   2HD   PRO  12           HD1      PRO  12  -2.682  -3.022 -11.501
   82    H    LYS  13           HN       LYS  13  -0.514  -6.194  -7.194
   83    HA   LYS  13           HA       LYS  13   0.484  -8.268  -9.081
   84   1HB   LYS  13           HB2      LYS  13   1.390  -7.177  -6.441
   85   2HB   LYS  13           HB1      LYS  13   1.877  -8.802  -6.910
   86   1HG   LYS  13           HG2      LYS  13   2.511  -7.639  -9.187
   87   2HG   LYS  13           HG1      LYS  13   2.555  -6.181  -8.195
   88   1HD   LYS  13           HD2      LYS  13   4.725  -6.876  -7.876
   89   2HD   LYS  13           HD1      LYS  13   3.956  -7.797  -6.582
   90   1HE   LYS  13           HE2      LYS  13   3.770  -9.202  -9.120
   91   2HE   LYS  13           HE1      LYS  13   5.448  -8.842  -8.717
   92   1HZ   LYS  13           HZ2      LYS  13   5.083  -9.819  -6.528
   93   2HZ   LYS  13           HZ1      LYS  13   3.481 -10.196  -6.951
   94   3HZ   LYS  13           HZ3      LYS  13   4.770 -10.943  -7.764
   95    HA   PRO  14           HA       PRO  14  -2.296 -11.148  -7.145
   96   1HB   PRO  14           HB2      PRO  14  -1.338 -13.388  -8.415
   97   2HB   PRO  14           HB1      PRO  14  -2.394 -12.199  -9.198
   98   1HG   PRO  14           HG2      PRO  14   0.523 -12.651  -9.575
   99   2HG   PRO  14           HG1      PRO  14  -0.653 -11.937 -10.689
  100   1HD   PRO  14           HD2      PRO  14   1.230 -10.529  -9.130
  101   2HD   PRO  14           HD1      PRO  14  -0.117  -9.823  -9.992
  102    H    ALA  15           HN       ALA  15   0.667 -10.569  -6.192
  103    HA   ALA  15           HA       ALA  15   0.699 -12.786  -4.229
  104   1HB   ALA  15           HB1      ALA  15   2.926 -12.131  -6.160
  105   2HB   ALA  15           HB3      ALA  15   3.255 -12.909  -4.611
  106   3HB   ALA  15           HB2      ALA  15   2.219 -13.705  -5.795
  107    H    CYS  16           HN       CYS  16   1.240 -12.013  -2.217
  108    HA   CYS  16           HA       CYS  16   2.295  -9.218  -2.095
  109   1HB   CYS  16           HB2      CYS  16   0.638 -10.747  -0.064
  110   2HB   CYS  16           HB1      CYS  16   1.200  -9.084   0.114
  111    H    THR  17           HN       THR  17   3.941  -8.760  -0.540
  112    HA   THR  17           HA       THR  17   5.941 -10.739  -0.196
  113    HB   THR  17           HB       THR  17   6.673  -9.125   1.742
  114    HG1  THR  17           HG1      THR  17   5.656  -7.043   1.361
  115   1HG2  THR  17          HG23      THR  17   6.916  -9.078  -1.089
  116   2HG2  THR  17          HG22      THR  17   6.702  -7.410  -0.557
  117   3HG2  THR  17          HG21      THR  17   8.016  -8.384   0.102
  118    H    LEU  18           HN       LEU  18   6.678 -10.914   2.439
  119    HA   LEU  18           HA       LEU  18   4.275 -12.128   3.735
  120   1HB   LEU  18           HB2      LEU  18   5.887 -13.812   4.729
  121   2HB   LEU  18           HB1      LEU  18   5.670 -13.949   2.985
  122    HG   LEU  18           HG       LEU  18   7.837 -12.134   3.909
  123   1HD1  LEU  18          HD12      LEU  18   8.084 -14.078   5.422
  124   2HD1  LEU  18          HD11      LEU  18   8.067 -15.158   4.027
  125   3HD1  LEU  18          HD13      LEU  18   9.393 -14.015   4.241
  126   1HD2  LEU  18          HD22      LEU  18   6.988 -13.174   1.503
  127   2HD2  LEU  18          HD21      LEU  18   8.592 -12.502   1.795
  128   3HD2  LEU  18          HD23      LEU  18   8.330 -14.242   1.912
  129    H    GLU  19           HN       GLU  19   7.226 -10.258   4.132
  130    HA   GLU  19           HA       GLU  19   7.348 -10.219   6.968
  131   1HB   GLU  19           HB2      GLU  19   8.497  -8.034   6.680
  132   2HB   GLU  19           HB1      GLU  19   9.132  -9.251   5.573
  133   1HG   GLU  19           HG2      GLU  19   6.841  -7.643   4.574
  134   2HG   GLU  19           HG1      GLU  19   8.371  -6.787   4.763
  135    H    TYR  20           HN       TYR  20   6.971  -7.618   7.747
  136    HA   TYR  20           HA       TYR  20   4.110  -7.096   7.108
  137   1HB   TYR  20           HB2      TYR  20   4.359  -8.344   9.269
  138   2HB   TYR  20           HB1      TYR  20   5.204  -6.941   9.919
  139    HD1  TYR  20           HD2      TYR  20   2.281  -7.170   7.583
  140    HD2  TYR  20           HD1      TYR  20   3.714  -5.925  11.439
  141    HE1  TYR  20           HE2      TYR  20   0.097  -6.084   8.043
  142    HE2  TYR  20           HE1      TYR  20   1.530  -4.842  11.898
  143    HH   TYR  20           HH       TYR  20  -0.921  -5.206  11.030
  144    H    ARG  21           HN       ARG  21   3.775  -5.133   6.551
  145    HA   ARG  21           HA       ARG  21   5.132  -2.832   7.781
  146   1HB   ARG  21           HB2      ARG  21   5.505  -3.611   4.875
  147   2HB   ARG  21           HB1      ARG  21   5.703  -1.948   5.427
  148   1HG   ARG  21           HG2      ARG  21   7.820  -2.469   5.984
  149   2HG   ARG  21           HG1      ARG  21   7.167  -3.507   7.250
  150   1HD   ARG  21           HD2      ARG  21   7.414  -5.434   5.990
  151   2HD   ARG  21           HD1      ARG  21   7.251  -4.576   4.458
  152    HE   ARG  21           HE       ARG  21   9.601  -4.592   4.459
  153   1HH1  ARG  21          HH11      ARG  21   9.679  -2.244   6.283
  154   2HH1  ARG  21          HH12      ARG  21  10.645  -2.822   7.598
  155   1HH2  ARG  21          HH21      ARG  21  10.276  -6.164   6.748
  156   2HH2  ARG  21          HH22      ARG  21  10.977  -5.042   7.866
  157    HA   PRO  22           HA       PRO  22   0.674  -2.577   6.623
  158   1HB   PRO  22           HB2      PRO  22  -0.028  -1.279   8.968
  159   2HB   PRO  22           HB1      PRO  22  -0.039  -3.045   8.742
  160   1HG   PRO  22           HG2      PRO  22   1.986  -1.326  10.134
  161   2HG   PRO  22           HG1      PRO  22   1.483  -2.987  10.498
  162   1HD   PRO  22           HD2      PRO  22   3.843  -2.349   9.191
  163   2HD   PRO  22           HD1      PRO  22   3.004  -3.907   9.016
  164    H    LEU  23           HN       LEU  23   0.104  -0.938   5.268
  165    HA   LEU  23           HA       LEU  23   1.056   1.802   6.012
  166   1HB   LEU  23           HB2      LEU  23   0.339   0.912   3.220
  167   2HB   LEU  23           HB1      LEU  23   1.330   2.285   3.715
  168    HG   LEU  23           HG       LEU  23   2.350  -0.285   4.702
  169   1HD1  LEU  23          HD11      LEU  23   2.012   0.218   1.752
  170   2HD1  LEU  23          HD13      LEU  23   3.297  -0.808   2.387
  171   3HD1  LEU  23          HD12      LEU  23   1.609  -1.235   2.668
  172   1HD2  LEU  23          HD22      LEU  23   3.458   2.000   4.688
  173   2HD2  LEU  23          HD21      LEU  23   4.431   0.669   4.063
  174   3HD2  LEU  23          HD23      LEU  23   3.652   1.793   2.948
  175    H    CYS  24           HN       CYS  24  -0.589   3.215   6.454
  176    HA   CYS  24           HA       CYS  24  -3.348   2.287   6.096
  177   1HB   CYS  24           HB2      CYS  24  -2.650   3.627   8.104
  178   2HB   CYS  24           HB1      CYS  24  -2.420   5.008   7.047
  179    H    GLY  25           HN       GLY  25  -4.956   3.658   4.938
  180   1HA   GLY  25           HA2      GLY  25  -3.774   5.080   2.613
  181   2HA   GLY  25           HA1      GLY  25  -4.920   3.878   2.409
  182    H    SER  26           HN       SER  26  -5.351   6.397   1.387
  183    HA   SER  26           HA       SER  26  -6.583   8.295   3.048
  184   1HB   SER  26           HB2      SER  26  -6.205   8.882   0.771
  185   2HB   SER  26           HB1      SER  26  -7.147   7.514   0.183
  186    HG   SER  26           HG       SER  26  -8.015   9.900   1.416
  187    H    ASP  27           HN       ASP  27  -8.204   5.552   1.391
  188    HA   ASP  27           HA       ASP  27 -10.842   5.965   2.057
  189   1HB   ASP  27           HB2      ASP  27 -10.815   3.358   2.577
  190   2HB   ASP  27           HB1      ASP  27 -10.549   3.961   0.941
  191    H    ASN  28           HN       ASN  28  -8.258   5.255   4.272
  192    HA   ASN  28           HA       ASN  28  -8.279   5.825   6.577
  193   1HB   ASN  28           HB2      ASN  28 -10.173   6.413   7.700
  194   2HB   ASN  28           HB1      ASN  28 -10.764   6.674   6.070
  195   1HD2  ASN  28          HD22      ASN  28 -13.154   4.480   8.056
  196   2HD2  ASN  28          HD21      ASN  28 -12.422   5.970   8.410
  197    H    LYS  29           HN       LYS  29  -7.893   3.292   5.173
  198    HA   LYS  29           HA       LYS  29  -8.566   1.467   7.438
  199   1HB   LYS  29           HB2      LYS  29  -8.196  -0.215   5.267
  200   2HB   LYS  29           HB1      LYS  29  -9.749   0.267   5.937
  201   1HG   LYS  29           HG2      LYS  29  -9.629   2.295   4.396
  202   2HG   LYS  29           HG1      LYS  29  -8.260   1.495   3.626
  203   1HD   LYS  29           HD2      LYS  29 -11.043   0.327   3.909
  204   2HD   LYS  29           HD1      LYS  29 -10.362   0.998   2.426
  205   1HE   LYS  29           HE2      LYS  29  -8.558  -0.697   2.500
  206   2HE   LYS  29           HE1      LYS  29  -9.276  -1.385   3.956
  207   1HZ   LYS  29           HZ2      LYS  29 -11.269  -1.121   2.002
  208   2HZ   LYS  29           HZ1      LYS  29  -9.940  -1.914   1.299
  209   3HZ   LYS  29           HZ3      LYS  29 -10.657  -2.544   2.701
  210    H    THR  30           HN       THR  30  -7.047  -0.522   7.316
  211    HA   THR  30           HA       THR  30  -4.275   0.510   6.871
  212    HB   THR  30           HB       THR  30  -5.315  -1.632   8.750
  213    HG1  THR  30           HG1      THR  30  -5.416   0.023  10.008
  214   1HG2  THR  30          HG23      THR  30  -2.504  -0.820   7.993
  215   2HG2  THR  30          HG22      THR  30  -2.863  -1.594   9.537
  216   3HG2  THR  30          HG21      THR  30  -3.199  -2.441   8.027
  217    H    TYR  31           HN       TYR  31  -2.764  -0.880   5.847
  218    HA   TYR  31           HA       TYR  31  -3.988  -3.166   4.375
  219   1HB   TYR  31           HB2      TYR  31  -1.803  -1.252   3.445
  220   2HB   TYR  31           HB1      TYR  31  -2.280  -2.704   2.625
  221    HD1  TYR  31           HD2      TYR  31  -4.805  -3.013   2.070
  222    HD2  TYR  31           HD1      TYR  31  -2.971   0.749   3.025
  223    HE1  TYR  31           HE2      TYR  31  -6.692  -1.821   0.990
  224    HE2  TYR  31           HE1      TYR  31  -4.856   1.944   1.947
  225    HH   TYR  31           HH       TYR  31  -6.650   1.698   0.599
  226    H    GLY  32           HN       GLY  32  -3.123  -5.092   4.901
  227   1HA   GLY  32           HA2      GLY  32  -1.433  -5.684   6.913
  228   2HA   GLY  32           HA1      GLY  32  -1.432  -6.670   5.465
  229    H    ASN  33           HN       ASN  33  -0.197  -5.116   3.582
  230    HA   ASN  33           HA       ASN  33   2.172  -3.867   4.726
  231   1HB   ASN  33           HB2      ASN  33   3.760  -5.470   3.577
  232   2HB   ASN  33           HB1      ASN  33   2.928  -6.124   4.981
  233   1HD2  ASN  33          HD22      ASN  33   2.646  -8.626   2.228
  234   2HD2  ASN  33          HD21      ASN  33   3.931  -7.919   3.082
  235    H    LYS  34           HN       LYS  34   3.858  -3.907   2.578
  236    HA   LYS  34           HA       LYS  34   2.932  -1.885   0.955
  237   1HB   LYS  34           HB2      LYS  34   4.764  -2.312  -0.497
  238   2HB   LYS  34           HB1      LYS  34   5.290  -2.845   1.097
  239   1HG   LYS  34           HG2      LYS  34   4.574  -5.177   0.490
  240   2HG   LYS  34           HG1      LYS  34   4.250  -4.598  -1.147
  241   1HD   LYS  34           HD2      LYS  34   6.823  -3.649  -0.534
  242   2HD   LYS  34           HD1      LYS  34   6.787  -5.307   0.069
  243   1HE   LYS  34           HE2      LYS  34   6.188  -6.177  -2.069
  244   2HE   LYS  34           HE1      LYS  34   5.799  -4.574  -2.693
  245   1HZ   LYS  34           HZ2      LYS  34   8.147  -3.974  -2.422
  246   2HZ   LYS  34           HZ1      LYS  34   8.493  -5.561  -1.926
  247   3HZ   LYS  34           HZ3      LYS  34   7.939  -5.268  -3.502
  248    H    CYS  35           HN       CYS  35   2.760  -5.373   0.108
  249    HA   CYS  35           HA       CYS  35   1.523  -5.042  -2.392
  250   1HB   CYS  35           HB2      CYS  35   2.343  -7.213  -1.631
  251   2HB   CYS  35           HB1      CYS  35   1.131  -7.246  -0.352
  252    H    ASN  36           HN       ASN  36  -0.202  -5.940   0.608
  253    HA   ASN  36           HA       ASN  36  -2.797  -5.488  -0.361
  254   1HB   ASN  36           HB2      ASN  36  -1.649  -5.235   2.420
  255   2HB   ASN  36           HB1      ASN  36  -3.371  -5.041   2.091
  256   1HD2  ASN  36          HD22      ASN  36  -1.662  -8.760   1.740
  257   2HD2  ASN  36          HD21      ASN  36  -0.677  -7.381   1.761
  258    H    PHE  37           HN       PHE  37  -0.370  -3.115   0.392
  259    HA   PHE  37           HA       PHE  37  -2.293  -0.956   0.841
  260   1HB   PHE  37           HB2      PHE  37  -0.118  -0.671   1.802
  261   2HB   PHE  37           HB1      PHE  37   0.683  -0.897   0.391
  262    HD1  PHE  37           HD1      PHE  37  -2.372   1.001   0.943
  263    HD2  PHE  37           HD2      PHE  37   1.764   1.148  -0.074
  264    HE1  PHE  37           HE1      PHE  37  -2.622   3.408   0.356
  265    HE2  PHE  37           HE2      PHE  37   1.548   3.557  -0.661
  266    HZ   PHE  37           HZ       PHE  37  -0.662   4.675  -0.453
  267    H    CYS  38           HN       CYS  38   0.138  -1.381  -1.648
  268    HA   CYS  38           HA       CYS  38  -0.878   0.505  -3.458
  269   1HB   CYS  38           HB2      CYS  38   1.370  -0.449  -3.719
  270   2HB   CYS  38           HB1      CYS  38   0.673  -2.015  -4.130
  271    H    ASN  39           HN       ASN  39  -1.514  -3.049  -3.412
  272    HA   ASN  39           HA       ASN  39  -3.145  -3.276  -5.637
  273   1HB   ASN  39           HB2      ASN  39  -3.052  -4.560  -2.970
  274   2HB   ASN  39           HB1      ASN  39  -4.567  -4.734  -3.837
  275   1HD2  ASN  39          HD22      ASN  39  -1.662  -7.147  -4.863
  276   2HD2  ASN  39          HD21      ASN  39  -1.861  -6.414  -3.350
  277    H    ALA  40           HN       ALA  40  -3.769  -1.575  -2.665
  278    HA   ALA  40           HA       ALA  40  -6.606  -1.137  -3.146
  279   1HB   ALA  40           HB3      ALA  40  -5.360  -0.983  -0.886
  280   2HB   ALA  40           HB2      ALA  40  -4.782   0.586  -1.447
  281   3HB   ALA  40           HB1      ALA  40  -6.511   0.306  -1.240
  282    H    VAL  41           HN       VAL  41  -3.625   0.767  -3.487
  283    HA   VAL  41           HA       VAL  41  -4.714   3.123  -4.631
  284    HB   VAL  41           HB       VAL  41  -2.062   1.736  -5.133
  285   1HG1  VAL  41          HG13      VAL  41  -3.237   4.220  -6.206
  286   2HG1  VAL  41          HG12      VAL  41  -1.624   4.411  -5.519
  287   3HG1  VAL  41          HG11      VAL  41  -1.898   3.251  -6.818
  288   1HG2  VAL  41          HG21      VAL  41  -2.812   2.524  -2.769
  289   2HG2  VAL  41          HG23      VAL  41  -1.215   3.004  -3.347
  290   3HG2  VAL  41          HG22      VAL  41  -2.555   4.150  -3.404
  291    H    VAL  42           HN       VAL  42  -3.297   0.311  -6.315
  292    HA   VAL  42           HA       VAL  42  -3.899   1.080  -8.955
  293    HB   VAL  42           HB       VAL  42  -3.577  -1.295  -9.500
  294   1HG1  VAL  42          HG12      VAL  42  -1.773   0.333  -8.074
  295   2HG1  VAL  42          HG11      VAL  42  -1.626  -1.276  -7.364
  296   3HG1  VAL  42          HG13      VAL  42  -1.375  -1.049  -9.095
  297   1HG2  VAL  42          HG23      VAL  42  -4.069  -1.619  -6.543
  298   2HG2  VAL  42          HG22      VAL  42  -4.841  -2.469  -7.881
  299   3HG2  VAL  42          HG21      VAL  42  -3.170  -2.831  -7.453
  300    H    GLU  43           HN       GLU  43  -5.906  -0.422  -6.488
  301    HA   GLU  43           HA       GLU  43  -8.063  -0.924  -8.441
  302   1HB   GLU  43           HB2      GLU  43  -7.312  -2.265  -6.185
  303   2HB   GLU  43           HB1      GLU  43  -8.600  -1.253  -5.552
  304   1HG   GLU  43           HG2      GLU  43 -10.034  -2.041  -7.484
  305   2HG   GLU  43           HG1      GLU  43  -8.765  -3.213  -7.845
  306    H    SER  44           HN       SER  44  -6.969   1.598  -6.473
  307    HA   SER  44           HA       SER  44  -9.690   2.752  -6.198
  308   1HB   SER  44           HB2      SER  44  -8.142   2.651  -4.203
  309   2HB   SER  44           HB1      SER  44  -7.098   3.798  -5.036
  310    HG   SER  44           HG       SER  44  -8.767   5.281  -5.018
  311    H    ASN  45           HN       ASN  45  -7.624   2.695  -8.621
  312    HA   ASN  45           HA       ASN  45  -7.179   4.133 -10.412
  313   1HB   ASN  45           HB2      ASN  45  -9.388   5.674  -9.027
  314   2HB   ASN  45           HB1      ASN  45  -8.665   6.175 -10.549
  315   1HD2  ASN  45          HD22      ASN  45 -11.098   2.890 -10.491
  316   2HD2  ASN  45          HD21      ASN  45 -10.493   3.507  -9.032
  317    H    GLY  46           HN       GLY  46  -5.850   4.389  -7.706
  318   1HA   GLY  46           HA2      GLY  46  -4.187   5.716  -6.760
  319   2HA   GLY  46           HA1      GLY  46  -4.084   6.549  -8.298
  320    H    THR  47           HN       THR  47  -7.089   6.409  -6.557
  321    HA   THR  47           HA       THR  47  -6.944   9.342  -6.121
  322    HB   THR  47           HB       THR  47  -9.346   9.228  -5.788
  323    HG1  THR  47           HG1      THR  47  -9.285   7.224  -4.630
  324   1HG2  THR  47          HG21      THR  47  -8.228   8.874  -8.144
  325   2HG2  THR  47          HG23      THR  47  -8.920   7.258  -8.009
  326   3HG2  THR  47          HG22      THR  47  -9.971   8.673  -7.960
  327    H    LEU  48           HN       LEU  48  -6.239   6.519  -4.507
  328    HA   LEU  48           HA       LEU  48  -7.178   7.327  -1.860
  329   1HB   LEU  48           HB2      LEU  48  -7.282   5.030  -2.033
  330   2HB   LEU  48           HB1      LEU  48  -5.977   4.965  -3.202
  331    HG   LEU  48           HG       LEU  48  -4.878   5.835  -0.696
  332   1HD1  LEU  48          HD11      LEU  48  -7.062   3.925  -0.532
  333   2HD1  LEU  48          HD13      LEU  48  -5.553   3.318   0.148
  334   3HD1  LEU  48          HD12      LEU  48  -6.248   4.825   0.748
  335   1HD2  LEU  48          HD23      LEU  48  -4.445   3.915  -2.806
  336   2HD2  LEU  48          HD22      LEU  48  -3.279   4.574  -1.659
  337   3HD2  LEU  48          HD21      LEU  48  -4.214   3.141  -1.239
  338    H    THR  49           HN       THR  49  -4.059   6.118  -2.837
  339    HA   THR  49           HA       THR  49  -1.902   6.952  -2.612
  340    HB   THR  49           HB       THR  49  -1.494   9.175  -2.232
  341    HG1  THR  49           HG1      THR  49  -2.596  10.408  -0.824
  342   1HG2  THR  49          HG23      THR  49  -3.672   8.536  -3.826
  343   2HG2  THR  49          HG22      THR  49  -4.192   9.949  -2.909
  344   3HG2  THR  49          HG21      THR  49  -2.726  10.023  -3.887
  345    H    LEU  50           HN       LEU  50  -0.416   6.940  -0.914
  346    HA   LEU  50           HA       LEU  50  -1.247   5.463   1.392
  347   1HB   LEU  50           HB2      LEU  50   0.982   5.276   0.360
  348   2HB   LEU  50           HB1      LEU  50   1.321   6.957   0.753
  349    HG   LEU  50           HG       LEU  50   1.121   6.424   3.165
  350   1HD1  LEU  50          HD13      LEU  50  -0.430   4.420   2.703
  351   2HD1  LEU  50          HD12      LEU  50   1.037   3.522   2.315
  352   3HD1  LEU  50          HD11      LEU  50   0.812   4.189   3.932
  353   1HD2  LEU  50          HD23      LEU  50   3.054   5.224   1.279
  354   2HD2  LEU  50          HD22      LEU  50   3.334   6.300   2.649
  355   3HD2  LEU  50          HD21      LEU  50   3.097   4.572   2.917
  356    H    SER  51           HN       SER  51  -1.007   6.245   3.624
  357    HA   SER  51           HA       SER  51  -1.498   9.189   3.895
  358   1HB   SER  51           HB2      SER  51  -2.477   8.405   6.156
  359   2HB   SER  51           HB1      SER  51  -3.421   8.057   4.727
  360    HG   SER  51           HG       SER  51  -3.303   6.080   5.413
  361    H    HIS  52           HN       HIS  52  -0.028   6.342   5.230
  362    HA   HIS  52           HA       HIS  52   2.477   7.546   5.912
  363   1HB   HIS  52           HB2      HIS  52   2.307   7.593   8.351
  364   2HB   HIS  52           HB1      HIS  52   1.017   8.605   7.696
  365    HD1  HIS  52           HD1      HIS  52   0.818   7.012  10.487
  366    HD2  HIS  52           HD2      HIS  52  -0.786   5.811   6.835
  367    HE1  HIS  52           HE1      HIS  52  -1.029   5.347  11.011
  368    H    PHE  53           HN       PHE  53   3.741   5.899   7.320
  369    HA   PHE  53           HA       PHE  53   3.055   3.213   6.364
  370   1HB   PHE  53           HB2      PHE  53   5.365   4.293   7.998
  371   2HB   PHE  53           HB1      PHE  53   5.194   2.592   7.570
  372    HD1  PHE  53           HD2      PHE  53   5.115   5.987   5.986
  373    HD2  PHE  53           HD1      PHE  53   6.104   1.830   5.554
  374    HE1  PHE  53           HE2      PHE  53   6.085   6.450   3.752
  375    HE2  PHE  53           HE1      PHE  53   7.075   2.293   3.320
  376    HZ   PHE  53           HZ       PHE  53   7.066   4.604   2.418
  377    H    GLY  54           HN       GLY  54   3.399   1.413   8.184
  378   1HA   GLY  54           HA2      GLY  54   2.694   0.489  10.237
  379   2HA   GLY  54           HA1      GLY  54   2.463   2.107  10.836
  380    H    LYS  55           HN       LYS  55   0.459   1.025  11.743
  381    HA   LYS  55           HA       LYS  55  -1.714   0.703   9.760
  382   1HB   LYS  55           HB2      LYS  55  -2.917   0.527  12.246
  383   2HB   LYS  55           HB1      LYS  55  -2.350  -0.838  11.294
  384   1HG   LYS  55           HG2      LYS  55  -0.271  -0.909  12.485
  385   2HG   LYS  55           HG1      LYS  55  -0.578   0.656  13.241
  386   1HD   LYS  55           HD2      LYS  55  -2.644  -1.428  13.684
  387   2HD   LYS  55           HD1      LYS  55  -1.093  -1.695  14.479
  388   1HE   LYS  55           HE2      LYS  55  -1.312   0.154  15.837
  389   2HE   LYS  55           HE1      LYS  55  -2.266   1.044  14.648
  390   1HZ   LYS  55           HZ3      LYS  55  -4.059  -0.662  15.100
  391   2HZ   LYS  55           HZ2      LYS  55  -3.154  -1.117  16.465
  392   3HZ   LYS  55           HZ1      LYS  55  -3.761   0.465  16.331
  393    H    CYS  56           HN       CYS  56  -3.641   2.001   9.865
  394    HA   CYS  56           HA       CYS  56  -3.342   4.748   9.949
  395   1HB   CYS  56           HB2      CYS  56  -5.849   3.367  10.944
  396   2HB   CYS  56           HB1      CYS  56  -5.731   4.933  10.140
   
  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           HT1      LEU   1  10.135  13.432  10.088
    2   2H    LEU   1           HT3      LEU   1  10.066  11.818  10.606
    3   3H    LEU   1           HT2      LEU   1  11.540  12.662  10.654
    4    HA   LEU   1           HA       LEU   1  12.026  12.116   8.578
    5   1HB   LEU   1           HB2      LEU   1   9.407  10.589   8.740
    6   2HB   LEU   1           HB1      LEU   1  10.680  10.308   7.552
    7    HG   LEU   1           HG       LEU   1  11.080  10.106  10.549
    8   1HD1  LEU   1          HD11      LEU   1   9.797   8.296   8.757
    9   2HD1  LEU   1          HD13      LEU   1  11.369   7.612   9.172
   10   3HD1  LEU   1          HD12      LEU   1  10.224   8.029  10.447
   11   1HD2  LEU   1          HD23      LEU   1  12.798   9.695   8.118
   12   2HD2  LEU   1          HD22      LEU   1  13.194  10.501   9.636
   13   3HD2  LEU   1          HD21      LEU   1  13.109   8.740   9.569
   14    H    ALA   2           HN       ALA   2  11.496  12.483   6.276
   15    HA   ALA   2           HA       ALA   2   9.329  14.525   5.990
   16   1HB   ALA   2           HB1      ALA   2  12.083  14.643   5.346
   17   2HB   ALA   2           HB3      ALA   2  11.218  14.554   3.812
   18   3HB   ALA   2           HB2      ALA   2  10.842  15.837   4.963
   19    H    ALA   3           HN       ALA   3  11.146  12.333   3.812
   20    HA   ALA   3           HA       ALA   3   9.305  12.083   1.768
   21   1HB   ALA   3           HB1      ALA   3  11.596  10.739   2.467
   22   2HB   ALA   3           HB3      ALA   3  10.379   9.472   2.617
   23   3HB   ALA   3           HB2      ALA   3  10.579  10.328   1.087
   24    H    VAL   4           HN       VAL   4   7.309  11.128   1.496
   25    HA   VAL   4           HA       VAL   4   6.310   9.185   3.467
   26    HB   VAL   4           HB       VAL   4   5.791  11.386   4.502
   27   1HG1  VAL   4          HG12      VAL   4   5.505  12.340   2.015
   28   2HG1  VAL   4          HG11      VAL   4   3.814  11.958   2.342
   29   3HG1  VAL   4          HG13      VAL   4   4.685  13.076   3.392
   30   1HG2  VAL   4          HG23      VAL   4   3.480   9.763   3.403
   31   2HG2  VAL   4          HG22      VAL   4   4.255   9.594   4.978
   32   3HG2  VAL   4          HG21      VAL   4   3.278  11.018   4.624
   33    H    SER   5           HN       SER   5   6.258   7.856   1.537
   34    HA   SER   5           HA       SER   5   3.742   7.755   0.220
   35   1HB   SER   5           HB2      SER   5   4.163   8.637  -1.941
   36   2HB   SER   5           HB1      SER   5   4.811   9.853  -0.845
   37    HG   SER   5           HG       SER   5   6.234   7.806  -2.207
   38    H    VAL   6           HN       VAL   6   3.650   5.942  -1.282
   39    HA   VAL   6           HA       VAL   6   6.085   4.211  -1.129
   40    HB   VAL   6           HB       VAL   6   3.914   3.498   0.090
   41   1HG1  VAL   6          HG13      VAL   6   2.381   4.081  -1.764
   42   2HG1  VAL   6          HG12      VAL   6   3.150   2.858  -2.775
   43   3HG1  VAL   6          HG11      VAL   6   2.255   2.375  -1.334
   44   1HG2  VAL   6          HG21      VAL   6   5.975   2.083  -0.803
   45   2HG2  VAL   6          HG23      VAL   6   4.544   1.277  -0.159
   46   3HG2  VAL   6          HG22      VAL   6   4.762   1.426  -1.902
   47    H    ASP   7           HN       ASP   7   5.884   2.445  -3.018
   48    HA   ASP   7           HA       ASP   7   5.115   3.909  -5.513
   49   1HB   ASP   7           HB2      ASP   7   7.567   3.896  -5.237
   50   2HB   ASP   7           HB1      ASP   7   7.542   2.139  -5.087
   51    H    CYS   8           HN       CYS   8   3.791   2.754  -6.842
   52    HA   CYS   8           HA       CYS   8   3.677  -0.208  -6.472
   53   1HB   CYS   8           HB2      CYS   8   1.268   1.526  -7.057
   54   2HB   CYS   8           HB1      CYS   8   1.291  -0.170  -6.580
   55    H    SER   9           HN       SER   9   5.236   0.167  -8.402
   56    HA   SER   9           HA       SER   9   3.859   0.891 -10.910
   57   1HB   SER   9           HB2      SER   9   6.024   0.852 -11.919
   58   2HB   SER   9           HB1      SER   9   6.240   1.592 -10.336
   59    HG   SER   9           HG       SER   9   7.075  -0.300  -9.574
   60    H    GLU  10           HN       GLU  10   4.666  -1.952  -9.140
   61    HA   GLU  10           HA       GLU  10   4.256  -3.627 -11.577
   62   1HB   GLU  10           HB2      GLU  10   5.139  -4.664  -8.888
   63   2HB   GLU  10           HB1      GLU  10   5.401  -5.374 -10.481
   64   1HG   GLU  10           HG2      GLU  10   7.394  -4.336 -10.567
   65   2HG   GLU  10           HG1      GLU  10   6.544  -2.790 -10.574
   66    H    TYR  11           HN       TYR  11   2.097  -2.266  -9.984
   67    HA   TYR  11           HA       TYR  11   0.664  -4.668  -9.001
   68   1HB   TYR  11           HB2      TYR  11   0.309  -1.717  -8.403
   69   2HB   TYR  11           HB1      TYR  11  -0.761  -2.975  -7.792
   70    HD1  TYR  11           HD1      TYR  11   0.125  -4.744  -6.247
   71    HD2  TYR  11           HD2      TYR  11   2.509  -1.414  -7.526
   72    HE1  TYR  11           HE1      TYR  11   1.761  -5.215  -4.432
   73    HE2  TYR  11           HE2      TYR  11   4.135  -1.874  -5.712
   74    HH   TYR  11           HH       TYR  11   3.915  -3.111  -3.319
   75    HA   PRO  12           HA       PRO  12  -1.440  -4.578  -8.264
   76   1HB   PRO  12           HB2      PRO  12  -3.480  -6.315  -8.908
   77   2HB   PRO  12           HB1      PRO  12  -3.730  -4.605  -8.528
   78   1HG   PRO  12           HG2      PRO  12  -3.900  -5.969 -11.151
   79   2HG   PRO  12           HG1      PRO  12  -4.581  -4.410 -10.655
   80   1HD   PRO  12           HD2      PRO  12  -2.205  -4.866 -12.184
   81   2HD   PRO  12           HD1      PRO  12  -2.828  -3.306 -11.675
   82    H    LYS  13           HN       LYS  13  -0.614  -6.461  -7.333
   83    HA   LYS  13           HA       LYS  13   0.599  -8.399  -9.237
   84   1HB   LYS  13           HB2      LYS  13   1.405  -7.208  -6.693
   85   2HB   LYS  13           HB1      LYS  13   1.588  -8.960  -6.701
   86   1HG   LYS  13           HG2      LYS  13   2.716  -8.620  -9.013
   87   2HG   LYS  13           HG1      LYS  13   2.856  -6.929  -8.530
   88   1HD   LYS  13           HD2      LYS  13   3.748  -8.207  -6.276
   89   2HD   LYS  13           HD1      LYS  13   4.327  -9.289  -7.544
   90   1HE   LYS  13           HE2      LYS  13   5.567  -7.559  -8.603
   91   2HE   LYS  13           HE1      LYS  13   4.734  -6.300  -7.692
   92   1HZ   LYS  13           HZ3      LYS  13   6.445  -8.369  -6.433
   93   2HZ   LYS  13           HZ2      LYS  13   7.012  -6.834  -6.886
   94   3HZ   LYS  13           HZ1      LYS  13   5.802  -6.980  -5.704
   95    HA   PRO  14           HA       PRO  14  -2.333 -11.411  -7.772
   96   1HB   PRO  14           HB2      PRO  14  -1.233 -13.546  -9.103
   97   2HB   PRO  14           HB1      PRO  14  -2.236 -12.315  -9.891
   98   1HG   PRO  14           HG2      PRO  14   0.721 -12.693 -10.014
   99   2HG   PRO  14           HG1      PRO  14  -0.367 -11.960 -11.205
  100   1HD   PRO  14           HD2      PRO  14   1.316 -10.551  -9.444
  101   2HD   PRO  14           HD1      PRO  14  -0.026  -9.866 -10.343
  102    H    ALA  15           HN       ALA  15   0.535 -10.898  -6.513
  103    HA   ALA  15           HA       ALA  15   0.343 -13.097  -4.590
  104   1HB   ALA  15           HB2      ALA  15   1.733 -14.013  -6.499
  105   2HB   ALA  15           HB1      ALA  15   2.917 -12.752  -6.152
  106   3HB   ALA  15           HB3      ALA  15   2.560 -13.984  -4.942
  107    H    CYS  16           HN       CYS  16   1.093 -12.394  -2.602
  108    HA   CYS  16           HA       CYS  16   2.697  -9.872  -2.587
  109   1HB   CYS  16           HB2      CYS  16   0.439 -10.573  -0.681
  110   2HB   CYS  16           HB1      CYS  16   1.386  -9.087  -0.684
  111    H    THR  17           HN       THR  17   4.413  -9.874  -1.167
  112    HA   THR  17           HA       THR  17   5.408 -12.295  -0.092
  113    HB   THR  17           HB       THR  17   6.856 -10.782   1.340
  114    HG1  THR  17           HG1      THR  17   6.605  -8.569   0.989
  115   1HG2  THR  17          HG21      THR  17   6.633 -10.870  -1.572
  116   2HG2  THR  17          HG23      THR  17   7.453  -9.418  -0.997
  117   3HG2  THR  17          HG22      THR  17   8.064 -11.011  -0.550
  118    H    LEU  18           HN       LEU  18   5.982 -11.860   2.616
  119    HA   LEU  18           HA       LEU  18   3.272 -11.618   3.831
  120   1HB   LEU  18           HB2      LEU  18   3.880 -13.550   5.325
  121   2HB   LEU  18           HB1      LEU  18   3.699 -13.995   3.629
  122    HG   LEU  18           HG       LEU  18   6.370 -13.265   3.807
  123   1HD1  LEU  18          HD11      LEU  18   5.638 -13.534   6.419
  124   2HD1  LEU  18          HD13      LEU  18   6.118 -15.189   6.043
  125   3HD1  LEU  18          HD12      LEU  18   7.262 -13.865   5.820
  126   1HD2  LEU  18          HD23      LEU  18   4.981 -15.347   2.853
  127   2HD2  LEU  18          HD22      LEU  18   6.723 -15.438   3.109
  128   3HD2  LEU  18          HD21      LEU  18   5.621 -16.113   4.307
  129    H    GLU  19           HN       GLU  19   6.330 -10.384   3.810
  130    HA   GLU  19           HA       GLU  19   7.060 -10.201   6.548
  131   1HB   GLU  19           HB2      GLU  19   7.381  -7.844   4.713
  132   2HB   GLU  19           HB1      GLU  19   8.510  -8.484   5.905
  133   1HG   GLU  19           HG2      GLU  19   7.879  -9.568   3.158
  134   2HG   GLU  19           HG1      GLU  19   9.444  -9.091   3.812
  135    H    TYR  20           HN       TYR  20   6.979  -7.525   7.210
  136    HA   TYR  20           HA       TYR  20   4.109  -6.817   7.038
  137   1HB   TYR  20           HB2      TYR  20   4.550  -8.140   9.131
  138   2HB   TYR  20           HB1      TYR  20   5.501  -6.775   9.708
  139    HD1  TYR  20           HD2      TYR  20   2.352  -6.931   7.681
  140    HD2  TYR  20           HD1      TYR  20   4.207  -5.674  11.348
  141    HE1  TYR  20           HE2      TYR  20   0.257  -5.775   8.337
  142    HE2  TYR  20           HE1      TYR  20   2.111  -4.520  12.007
  143    HH   TYR  20           HH       TYR  20   0.117  -3.704  11.167
  144    H    ARG  21           HN       ARG  21   4.007  -4.940   6.308
  145    HA   ARG  21           HA       ARG  21   5.456  -2.663   7.492
  146   1HB   ARG  21           HB2      ARG  21   5.462  -2.891   4.482
  147   2HB   ARG  21           HB1      ARG  21   6.489  -1.899   5.515
  148   1HG   ARG  21           HG2      ARG  21   7.320  -4.240   6.415
  149   2HG   ARG  21           HG1      ARG  21   6.713  -4.820   4.865
  150   1HD   ARG  21           HD2      ARG  21   8.704  -4.175   4.009
  151   2HD   ARG  21           HD1      ARG  21   8.113  -2.522   4.182
  152    HE   ARG  21           HE       ARG  21  10.246  -3.653   5.698
  153   1HH1  ARG  21          HH11      ARG  21   8.419  -3.605   7.957
  154   2HH1  ARG  21          HH12      ARG  21   8.495  -1.968   8.518
  155   1HH2  ARG  21          HH21      ARG  21   9.900  -0.751   5.591
  156   2HH2  ARG  21          HH22      ARG  21   9.335  -0.352   7.179
  157    HA   PRO  22           HA       PRO  22   0.971  -2.388   6.451
  158   1HB   PRO  22           HB2      PRO  22   0.304  -1.133   8.823
  159   2HB   PRO  22           HB1      PRO  22   0.320  -2.893   8.578
  160   1HG   PRO  22           HG2      PRO  22   2.346  -1.160   9.950
  161   2HG   PRO  22           HG1      PRO  22   1.877  -2.833  10.303
  162   1HD   PRO  22           HD2      PRO  22   4.196  -2.133   8.944
  163   2HD   PRO  22           HD1      PRO  22   3.390  -3.709   8.787
  164    H    LEU  23           HN       LEU  23   0.399  -0.774   5.108
  165    HA   LEU  23           HA       LEU  23   1.354   1.979   5.766
  166   1HB   LEU  23           HB2      LEU  23   0.404   1.055   3.054
  167   2HB   LEU  23           HB1      LEU  23   1.430   2.435   3.444
  168    HG   LEU  23           HG       LEU  23   2.578  -0.075   4.396
  169   1HD1  LEU  23          HD13      LEU  23   1.646   0.168   1.573
  170   2HD1  LEU  23          HD12      LEU  23   3.226  -0.558   1.872
  171   3HD1  LEU  23          HD11      LEU  23   1.779  -1.265   2.592
  172   1HD2  LEU  23          HD22      LEU  23   3.468   2.407   3.736
  173   2HD2  LEU  23          HD21      LEU  23   4.508   0.986   3.827
  174   3HD2  LEU  23          HD23      LEU  23   3.874   1.517   2.269
  175    H    CYS  24           HN       CYS  24  -0.196   3.555   5.988
  176    HA   CYS  24           HA       CYS  24  -2.992   2.650   6.139
  177   1HB   CYS  24           HB2      CYS  24  -2.483   3.982   7.970
  178   2HB   CYS  24           HB1      CYS  24  -1.413   5.006   7.048
  179    H    GLY  25           HN       GLY  25  -4.686   4.150   5.181
  180   1HA   GLY  25           HA2      GLY  25  -3.887   5.240   2.503
  181   2HA   GLY  25           HA1      GLY  25  -5.188   4.185   2.711
  182    H    SER  26           HN       SER  26  -5.412   6.838   1.656
  183    HA   SER  26           HA       SER  26  -6.362   8.646   3.701
  184   1HB   SER  26           HB2      SER  26  -7.660   9.391   1.349
  185   2HB   SER  26           HB1      SER  26  -6.104   9.994   1.903
  186    HG   SER  26           HG       SER  26  -6.625   8.581  -0.243
  187    H    ASP  27           HN       ASP  27  -7.732   5.917   2.111
  188    HA   ASP  27           HA       ASP  27 -10.514   6.603   2.392
  189   1HB   ASP  27           HB2      ASP  27 -10.731   3.991   2.437
  190   2HB   ASP  27           HB1      ASP  27 -10.171   4.780   0.965
  191    H    ASN  28           HN       ASN  28  -8.122   6.008   4.682
  192    HA   ASN  28           HA       ASN  28  -8.367   6.154   7.033
  193   1HB   ASN  28           HB2      ASN  28 -10.744   6.997   6.538
  194   2HB   ASN  28           HB1      ASN  28 -11.253   5.322   6.749
  195   1HD2  ASN  28          HD22      ASN  28  -9.458   6.966  10.064
  196   2HD2  ASN  28          HD21      ASN  28  -8.746   7.192   8.540
  197    H    LYS  29           HN       LYS  29  -7.925   3.709   5.243
  198    HA   LYS  29           HA       LYS  29  -8.500   1.705   7.378
  199   1HB   LYS  29           HB2      LYS  29  -8.074   0.234   5.049
  200   2HB   LYS  29           HB1      LYS  29  -9.621   0.535   5.824
  201   1HG   LYS  29           HG2      LYS  29  -9.658   2.736   4.487
  202   2HG   LYS  29           HG1      LYS  29  -8.343   2.024   3.554
  203   1HD   LYS  29           HD2      LYS  29 -10.277   1.413   2.341
  204   2HD   LYS  29           HD1      LYS  29  -9.910  -0.025   3.295
  205   1HE   LYS  29           HE2      LYS  29 -11.487   0.971   5.075
  206   2HE   LYS  29           HE1      LYS  29 -12.034   2.060   3.801
  207   1HZ   LYS  29           HZ1      LYS  29 -11.904  -0.691   2.983
  208   2HZ   LYS  29           HZ3      LYS  29 -12.996  -0.427   4.253
  209   3HZ   LYS  29           HZ2      LYS  29 -13.160   0.438   2.800
  210    H    THR  30           HN       THR  30  -6.941  -0.271   6.976
  211    HA   THR  30           HA       THR  30  -4.182   0.859   6.608
  212    HB   THR  30           HB       THR  30  -5.201  -1.304   8.485
  213    HG1  THR  30           HG1      THR  30  -4.959   1.285   8.737
  214   1HG2  THR  30          HG22      THR  30  -2.380  -0.448   7.790
  215   2HG2  THR  30          HG21      THR  30  -2.777  -1.328   9.265
  216   3HG2  THR  30          HG23      THR  30  -3.071  -2.068   7.692
  217    H    TYR  31           HN       TYR  31  -2.587  -0.890   5.970
  218    HA   TYR  31           HA       TYR  31  -3.821  -3.135   4.484
  219   1HB   TYR  31           HB2      TYR  31  -1.911  -1.088   3.285
  220   2HB   TYR  31           HB1      TYR  31  -2.200  -2.671   2.611
  221    HD1  TYR  31           HD1      TYR  31  -3.832   0.522   3.532
  222    HD2  TYR  31           HD2      TYR  31  -4.224  -3.208   1.436
  223    HE1  TYR  31           HE1      TYR  31  -5.918   1.336   2.468
  224    HE2  TYR  31           HE2      TYR  31  -6.307  -2.391   0.370
  225    HH   TYR  31           HH       TYR  31  -8.128  -0.160   1.370
  226    H    GLY  32           HN       GLY  32  -2.743  -4.993   4.935
  227   1HA   GLY  32           HA2      GLY  32  -0.893  -5.236   6.925
  228   2HA   GLY  32           HA1      GLY  32  -0.974  -6.405   5.626
  229    H    ASN  33           HN       ASN  33   0.004  -5.005   3.454
  230    HA   ASN  33           HA       ASN  33   2.496  -3.703   4.335
  231   1HB   ASN  33           HB2      ASN  33   3.933  -5.252   3.029
  232   2HB   ASN  33           HB1      ASN  33   3.129  -6.048   4.374
  233   1HD2  ASN  33          HD22      ASN  33   2.664  -8.245   1.431
  234   2HD2  ASN  33          HD21      ASN  33   3.976  -7.704   2.360
  235    H    LYS  34           HN       LYS  34   3.879  -3.752   1.948
  236    HA   LYS  34           HA       LYS  34   2.578  -1.662   0.513
  237   1HB   LYS  34           HB2      LYS  34   4.450  -2.181  -1.199
  238   2HB   LYS  34           HB1      LYS  34   4.927  -1.662   0.416
  239   1HG   LYS  34           HG2      LYS  34   5.707  -3.738   1.015
  240   2HG   LYS  34           HG1      LYS  34   4.539  -4.599   0.003
  241   1HD   LYS  34           HD2      LYS  34   6.570  -2.921  -1.401
  242   2HD   LYS  34           HD1      LYS  34   7.152  -4.403  -0.641
  243   1HE   LYS  34           HE2      LYS  34   4.669  -4.903  -2.039
  244   2HE   LYS  34           HE1      LYS  34   5.850  -4.177  -3.128
  245   1HZ   LYS  34           HZ2      LYS  34   7.465  -5.846  -2.363
  246   2HZ   LYS  34           HZ1      LYS  34   6.245  -6.584  -1.437
  247   3HZ   LYS  34           HZ3      LYS  34   6.118  -6.545  -3.128
  248    H    CYS  35           HN       CYS  35   2.445  -5.132   0.051
  249    HA   CYS  35           HA       CYS  35   1.509  -4.920  -2.674
  250   1HB   CYS  35           HB2      CYS  35   2.573  -6.977  -1.577
  251   2HB   CYS  35           HB1      CYS  35   1.006  -7.239  -0.820
  252    H    ASN  36           HN       ASN  36   0.032  -5.246   0.504
  253    HA   ASN  36           HA       ASN  36  -2.677  -5.427  -0.516
  254   1HB   ASN  36           HB2      ASN  36  -1.446  -4.921   2.183
  255   2HB   ASN  36           HB1      ASN  36  -3.176  -4.672   1.948
  256   1HD2  ASN  36          HD22      ASN  36  -1.670  -8.491   1.644
  257   2HD2  ASN  36          HD21      ASN  36  -0.634  -7.171   1.404
  258    H    PHE  37           HN       PHE  37  -0.563  -2.774   0.484
  259    HA   PHE  37           HA       PHE  37  -2.648  -0.749   0.378
  260   1HB   PHE  37           HB2      PHE  37  -0.501  -0.544   1.650
  261   2HB   PHE  37           HB1      PHE  37   0.352  -0.297   0.238
  262    HD1  PHE  37           HD1      PHE  37  -2.595   1.108   2.007
  263    HD2  PHE  37           HD2      PHE  37   0.590   1.641  -0.770
  264    HE1  PHE  37           HE1      PHE  37  -3.201   3.516   1.809
  265    HE2  PHE  37           HE2      PHE  37   0.035   4.063  -0.974
  266    HZ   PHE  37           HZ       PHE  37  -1.872   4.998   0.321
  267    H    CYS  38           HN       CYS  38  -0.066  -1.772  -1.691
  268    HA   CYS  38           HA       CYS  38  -0.529   0.127  -3.799
  269   1HB   CYS  38           HB2      CYS  38   0.941  -2.498  -3.647
  270   2HB   CYS  38           HB1      CYS  38   0.735  -1.672  -5.189
  271    H    ASN  39           HN       ASN  39  -1.753  -3.162  -3.217
  272    HA   ASN  39           HA       ASN  39  -3.087  -3.428  -5.732
  273   1HB   ASN  39           HB2      ASN  39  -3.169  -4.749  -3.075
  274   2HB   ASN  39           HB1      ASN  39  -4.630  -4.892  -4.040
  275   1HD2  ASN  39          HD22      ASN  39  -1.564  -7.204  -4.957
  276   2HD2  ASN  39          HD21      ASN  39  -1.751  -6.423  -3.472
  277    H    ALA  40           HN       ALA  40  -3.724  -1.570  -2.886
  278    HA   ALA  40           HA       ALA  40  -6.564  -1.146  -3.551
  279   1HB   ALA  40           HB2      ALA  40  -5.415  -1.104  -1.170
  280   2HB   ALA  40           HB1      ALA  40  -5.029   0.561  -1.607
  281   3HB   ALA  40           HB3      ALA  40  -6.711   0.035  -1.536
  282    H    VAL  41           HN       VAL  41  -3.446   0.307  -4.044
  283    HA   VAL  41           HA       VAL  41  -4.441   2.893  -4.961
  284    HB   VAL  41           HB       VAL  41  -1.760   1.499  -5.295
  285   1HG1  VAL  41          HG13      VAL  41  -2.803   3.773  -6.645
  286   2HG1  VAL  41          HG12      VAL  41  -1.625   4.362  -5.472
  287   3HG1  VAL  41          HG11      VAL  41  -1.150   3.164  -6.675
  288   1HG2  VAL  41          HG23      VAL  41  -2.685   2.214  -2.964
  289   2HG2  VAL  41          HG22      VAL  41  -1.046   2.694  -3.402
  290   3HG2  VAL  41          HG21      VAL  41  -2.367   3.856  -3.520
  291    H    VAL  42           HN       VAL  42  -3.797  -0.239  -6.303
  292    HA   VAL  42           HA       VAL  42  -4.011   0.711  -9.088
  293    HB   VAL  42           HB       VAL  42  -3.551  -1.628  -9.676
  294   1HG1  VAL  42          HG11      VAL  42  -1.825   0.099  -8.401
  295   2HG1  VAL  42          HG13      VAL  42  -1.646  -1.379  -7.456
  296   3HG1  VAL  42          HG12      VAL  42  -1.350  -1.404  -9.194
  297   1HG2  VAL  42          HG21      VAL  42  -4.077  -2.023  -6.741
  298   2HG2  VAL  42          HG23      VAL  42  -4.706  -2.939  -8.109
  299   3HG2  VAL  42          HG22      VAL  42  -3.027  -3.141  -7.606
  300    H    GLU  43           HN       GLU  43  -5.944  -0.807  -6.616
  301    HA   GLU  43           HA       GLU  43  -8.058  -1.527  -8.550
  302   1HB   GLU  43           HB2      GLU  43  -7.300  -2.706  -6.212
  303   2HB   GLU  43           HB1      GLU  43  -8.621  -1.697  -5.646
  304   1HG   GLU  43           HG2      GLU  43  -9.244  -3.052  -8.157
  305   2HG   GLU  43           HG1      GLU  43  -8.893  -4.177  -6.844
  306    H    SER  44           HN       SER  44  -7.097   1.089  -6.589
  307    HA   SER  44           HA       SER  44  -9.854   2.204  -6.557
  308   1HB   SER  44           HB2      SER  44  -8.765   2.375  -4.417
  309   2HB   SER  44           HB1      SER  44  -7.300   3.020  -5.149
  310    HG   SER  44           HG       SER  44  -9.455   4.329  -4.293
  311    H    ASN  45           HN       ASN  45  -7.623   2.005  -8.790
  312    HA   ASN  45           HA       ASN  45  -7.117   3.283 -10.671
  313   1HB   ASN  45           HB2      ASN  45  -8.842   4.545 -11.393
  314   2HB   ASN  45           HB1      ASN  45  -9.641   4.170  -9.876
  315   1HD2  ASN  45          HD22      ASN  45  -9.109   7.956 -10.555
  316   2HD2  ASN  45          HD21      ASN  45  -9.479   6.725 -11.665
  317    H    GLY  46           HN       GLY  46  -6.186   3.849  -7.674
  318   1HA   GLY  46           HA2      GLY  46  -4.199   4.926  -6.990
  319   2HA   GLY  46           HA1      GLY  46  -4.182   5.842  -8.487
  320    H    THR  47           HN       THR  47  -7.214   5.871  -6.890
  321    HA   THR  47           HA       THR  47  -6.897   8.719  -6.260
  322    HB   THR  47           HB       THR  47  -9.269   8.338  -5.285
  323    HG1  THR  47           HG1      THR  47 -10.226   6.434  -5.975
  324   1HG2  THR  47          HG21      THR  47  -8.266   8.392  -8.028
  325   2HG2  THR  47          HG23      THR  47  -9.899   7.741  -7.895
  326   3HG2  THR  47          HG22      THR  47  -9.539   9.352  -7.275
  327    H    LEU  48           HN       LEU  48  -6.274   5.801  -4.705
  328    HA   LEU  48           HA       LEU  48  -6.843   6.649  -1.985
  329   1HB   LEU  48           HB2      LEU  48  -6.861   4.351  -2.041
  330   2HB   LEU  48           HB1      LEU  48  -5.728   4.278  -3.384
  331    HG   LEU  48           HG       LEU  48  -3.920   4.977  -1.691
  332   1HD1  LEU  48          HD13      LEU  48  -6.102   5.381  -0.072
  333   2HD1  LEU  48          HD12      LEU  48  -5.505   3.816   0.478
  334   3HD1  LEU  48          HD11      LEU  48  -4.438   5.220   0.487
  335   1HD2  LEU  48          HD23      LEU  48  -4.630   2.590  -2.591
  336   2HD2  LEU  48          HD22      LEU  48  -3.441   2.750  -1.298
  337   3HD2  LEU  48          HD21      LEU  48  -5.115   2.350  -0.911
  338    H    THR  49           HN       THR  49  -5.089   6.981  -0.392
  339    HA   THR  49           HA       THR  49  -2.417   7.535  -1.393
  340    HB   THR  49           HB       THR  49  -2.391   9.862  -0.694
  341    HG1  THR  49           HG1      THR  49  -3.910  10.279   0.706
  342   1HG2  THR  49          HG21      THR  49  -3.007   9.164  -3.024
  343   2HG2  THR  49          HG23      THR  49  -4.697   9.363  -2.565
  344   3HG2  THR  49          HG22      THR  49  -3.612  10.754  -2.556
  345    H    LEU  50           HN       LEU  50  -1.077   6.988   0.132
  346    HA   LEU  50           HA       LEU  50  -1.852   6.128   2.736
  347   1HB   LEU  50           HB2      LEU  50   0.119   5.218   1.721
  348   2HB   LEU  50           HB1      LEU  50   0.802   6.820   1.455
  349    HG   LEU  50           HG       LEU  50   0.251   6.604   4.228
  350   1HD1  LEU  50          HD13      LEU  50   0.530   4.067   3.193
  351   2HD1  LEU  50          HD12      LEU  50   2.178   4.462   3.680
  352   3HD1  LEU  50          HD11      LEU  50   0.871   4.522   4.859
  353   1HD2  LEU  50          HD21      LEU  50   2.311   7.373   2.441
  354   2HD2  LEU  50          HD23      LEU  50   2.242   7.660   4.180
  355   3HD2  LEU  50          HD22      LEU  50   3.028   6.209   3.555
  356    H    SER  51           HN       SER  51  -1.622   7.208   4.744
  357    HA   SER  51           HA       SER  51  -1.215  10.166   4.534
  358   1HB   SER  51           HB2      SER  51  -3.371   8.842   5.663
  359   2HB   SER  51           HB1      SER  51  -2.325   9.067   7.029
  360    HG   SER  51           HG       SER  51  -2.616  11.234   5.335
  361    H    HIS  52           HN       HIS  52  -0.174   7.196   5.936
  362    HA   HIS  52           HA       HIS  52   2.341   8.288   6.830
  363   1HB   HIS  52           HB2      HIS  52   2.030   7.875   9.234
  364   2HB   HIS  52           HB1      HIS  52   0.862   9.072   8.675
  365    HD1  HIS  52           HD1      HIS  52   0.735   6.587  10.972
  366    HD2  HIS  52           HD2      HIS  52  -1.425   7.039   7.424
  367    HE1  HIS  52           HE1      HIS  52  -1.325   5.127  11.182
  368    H    PHE  53           HN       PHE  53   3.677   6.516   7.744
  369    HA   PHE  53           HA       PHE  53   2.969   3.950   6.535
  370   1HB   PHE  53           HB2      PHE  53   5.349   4.847   8.183
  371   2HB   PHE  53           HB1      PHE  53   5.183   3.229   7.500
  372    HD1  PHE  53           HD2      PHE  53   5.529   6.818   6.711
  373    HD2  PHE  53           HD1      PHE  53   5.411   2.829   5.120
  374    HE1  PHE  53           HE2      PHE  53   6.347   7.662   4.533
  375    HE2  PHE  53           HE1      PHE  53   6.234   3.677   2.938
  376    HZ   PHE  53           HZ       PHE  53   6.703   6.094   2.645
  377    H    GLY  54           HN       GLY  54   3.389   1.938   8.039
  378   1HA   GLY  54           HA2      GLY  54   2.941   0.807  10.089
  379   2HA   GLY  54           HA1      GLY  54   2.526   2.348  10.809
  380    H    LYS  55           HN       LYS  55   0.651   1.004  11.635
  381    HA   LYS  55           HA       LYS  55  -1.452   0.512   9.613
  382   1HB   LYS  55           HB2      LYS  55  -1.958   0.195  12.531
  383   2HB   LYS  55           HB1      LYS  55  -2.560  -0.775  11.205
  384   1HG   LYS  55           HG2      LYS  55  -1.032  -2.198  12.238
  385   2HG   LYS  55           HG1      LYS  55  -0.099  -1.561  10.904
  386   1HD   LYS  55           HD2      LYS  55   1.409  -0.707  12.362
  387   2HD   LYS  55           HD1      LYS  55   0.137   0.166  13.218
  388   1HE   LYS  55           HE2      LYS  55   0.226  -2.758  13.698
  389   2HE   LYS  55           HE1      LYS  55   1.585  -1.837  14.343
  390   1HZ   LYS  55           HZ1      LYS  55  -0.596  -0.329  14.964
  391   2HZ   LYS  55           HZ3      LYS  55  -1.137  -1.916  15.218
  392   3HZ   LYS  55           HZ2      LYS  55   0.245  -1.350  16.029
  393    H    CYS  56           HN       CYS  56  -3.092   1.941   9.300
  394    HA   CYS  56           HA       CYS  56  -3.060   4.554  10.457
  395   1HB   CYS  56           HB2      CYS  56  -4.332   3.355   8.305
  396   2HB   CYS  56           HB1      CYS  56  -5.663   3.696   9.409
   
  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   8.988  18.674   2.227
    2   2H    LEU   1           HT2      LEU   1  10.320  18.613   3.280
    3   3H    LEU   1           HT1      LEU   1  10.504  19.231   1.707
    4    HA   LEU   1           HA       LEU   1  10.536  17.196   0.729
    5   1HB   LEU   1           HB2      LEU   1  11.396  16.582   3.575
    6   2HB   LEU   1           HB1      LEU   1  11.844  15.657   2.139
    7    HG   LEU   1           HG       LEU   1  12.630  18.071   1.300
    8   1HD1  LEU   1          HD13      LEU   1  12.548  18.204   4.306
    9   2HD1  LEU   1          HD12      LEU   1  13.790  19.080   3.413
   10   3HD1  LEU   1          HD11      LEU   1  12.086  19.435   3.131
   11   1HD2  LEU   1          HD23      LEU   1  14.017  16.008   1.538
   12   2HD2  LEU   1          HD22      LEU   1  14.890  17.462   2.018
   13   3HD2  LEU   1          HD21      LEU   1  14.234  16.382   3.247
   14    H    ALA   2           HN       ALA   2   9.004  15.743   0.141
   15    HA   ALA   2           HA       ALA   2   7.430  14.396   2.283
   16   1HB   ALA   2           HB3      ALA   2   6.409  16.381   0.547
   17   2HB   ALA   2           HB2      ALA   2   5.791  14.842  -0.054
   18   3HB   ALA   2           HB1      ALA   2   5.488  15.323   1.616
   19    H    ALA   3           HN       ALA   3   7.308  12.218   1.942
   20    HA   ALA   3           HA       ALA   3   7.482  11.145  -0.803
   21   1HB   ALA   3           HB3      ALA   3   9.847  11.366  -0.023
   22   2HB   ALA   3           HB2      ALA   3   9.461  10.322   1.345
   23   3HB   ALA   3           HB1      ALA   3   9.376   9.689  -0.299
   24    H    VAL   4           HN       VAL   4   5.260  11.063   0.787
   25    HA   VAL   4           HA       VAL   4   5.262   8.427   2.153
   26    HB   VAL   4           HB       VAL   4   3.041   9.077   2.972
   27   1HG1  VAL   4          HG11      VAL   4   5.250   9.975   3.980
   28   2HG1  VAL   4          HG13      VAL   4   4.806  11.511   3.235
   29   3HG1  VAL   4          HG12      VAL   4   3.752  10.781   4.448
   30   1HG2  VAL   4          HG22      VAL   4   3.411  11.225   0.916
   31   2HG2  VAL   4          HG21      VAL   4   1.964  10.306   1.325
   32   3HG2  VAL   4          HG23      VAL   4   2.501  11.617   2.375
   33    H    SER   5           HN       SER   5   5.396   7.105   0.241
   34    HA   SER   5           HA       SER   5   2.926   6.230  -0.821
   35   1HB   SER   5           HB2      SER   5   3.197   7.094  -3.188
   36   2HB   SER   5           HB1      SER   5   2.735   8.315  -2.005
   37    HG   SER   5           HG       SER   5   4.852   8.284  -3.588
   38    H    VAL   6           HN       VAL   6   3.241   4.557  -2.487
   39    HA   VAL   6           HA       VAL   6   6.100   3.714  -2.763
   40    HB   VAL   6           HB       VAL   6   3.679   2.038  -2.052
   41   1HG1  VAL   6          HG13      VAL   6   6.412   1.205  -3.058
   42   2HG1  VAL   6          HG12      VAL   6   5.338   0.114  -2.182
   43   3HG1  VAL   6          HG11      VAL   6   4.840   0.782  -3.737
   44   1HG2  VAL   6          HG22      VAL   6   5.204   3.298  -0.333
   45   2HG2  VAL   6          HG21      VAL   6   4.803   1.606  -0.038
   46   3HG2  VAL   6          HG23      VAL   6   6.376   2.035  -0.713
   47    H    ASP   7           HN       ASP   7   6.563   2.496  -4.704
   48    HA   ASP   7           HA       ASP   7   5.155   3.396  -7.036
   49   1HB   ASP   7           HB2      ASP   7   7.562   2.652  -6.978
   50   2HB   ASP   7           HB1      ASP   7   6.991   0.991  -6.817
   51    H    CYS   8           HN       CYS   8   3.185   2.681  -7.697
   52    HA   CYS   8           HA       CYS   8   2.522  -0.190  -7.230
   53   1HB   CYS   8           HB2      CYS   8   0.536   2.077  -6.976
   54   2HB   CYS   8           HB1      CYS   8   0.321   0.392  -6.503
   55    H    SER   9           HN       SER   9   3.543   0.923  -9.653
   56    HA   SER   9           HA       SER   9   1.205   1.288 -11.422
   57   1HB   SER   9           HB2      SER   9   4.043   1.899 -11.537
   58   2HB   SER   9           HB1      SER   9   3.518   1.057 -12.992
   59    HG   SER   9           HG       SER   9   1.693   2.629 -12.909
   60    H    GLU  10           HN       GLU  10   2.547  -1.340 -10.037
   61    HA   GLU  10           HA       GLU  10   2.031  -3.014 -12.462
   62   1HB   GLU  10           HB2      GLU  10   4.134  -3.393 -10.314
   63   2HB   GLU  10           HB1      GLU  10   3.719  -4.623 -11.508
   64   1HG   GLU  10           HG2      GLU  10   5.439  -3.596 -12.646
   65   2HG   GLU  10           HG1      GLU  10   4.107  -2.572 -13.186
   66    H    TYR  11           HN       TYR  11   0.819  -2.206  -9.514
   67    HA   TYR  11           HA       TYR  11   0.171  -4.884  -8.594
   68   1HB   TYR  11           HB2      TYR  11  -0.386  -2.083  -7.653
   69   2HB   TYR  11           HB1      TYR  11  -1.252  -3.439  -6.940
   70    HD1  TYR  11           HD2      TYR  11   2.103  -1.996  -7.564
   71    HD2  TYR  11           HD1      TYR  11  -0.131  -5.011  -5.472
   72    HE1  TYR  11           HE2      TYR  11   4.099  -2.520  -6.190
   73    HE2  TYR  11           HE1      TYR  11   1.872  -5.540  -4.100
   74    HH   TYR  11           HH       TYR  11   4.766  -3.563  -4.240
   75    HA   PRO  12           HA       PRO  12  -1.746  -5.173  -7.052
   76   1HB   PRO  12           HB2      PRO  12  -3.189  -7.508  -7.235
   77   2HB   PRO  12           HB1      PRO  12  -3.899  -5.948  -6.775
   78   1HG   PRO  12           HG2      PRO  12  -4.044  -7.376  -9.410
   79   2HG   PRO  12           HG1      PRO  12  -5.252  -6.341  -8.626
   80   1HD   PRO  12           HD2      PRO  12  -3.577  -5.491 -10.685
   81   2HD   PRO  12           HD1      PRO  12  -4.375  -4.435  -9.538
   82    H    LYS  13           HN       LYS  13  -0.280  -6.724  -6.348
   83    HA   LYS  13           HA       LYS  13   1.273  -8.085  -8.462
   84   1HB   LYS  13           HB2      LYS  13   1.770  -6.988  -5.819
   85   2HB   LYS  13           HB1      LYS  13   2.392  -8.630  -5.953
   86   1HG   LYS  13           HG2      LYS  13   3.781  -8.074  -7.793
   87   2HG   LYS  13           HG1      LYS  13   2.915  -6.565  -8.090
   88   1HD   LYS  13           HD2      LYS  13   4.307  -5.462  -6.712
   89   2HD   LYS  13           HD1      LYS  13   3.893  -6.556  -5.391
   90   1HE   LYS  13           HE2      LYS  13   5.584  -7.988  -7.176
   91   2HE   LYS  13           HE1      LYS  13   6.338  -6.421  -6.881
   92   1HZ   LYS  13           HZ2      LYS  13   5.282  -7.448  -4.475
   93   2HZ   LYS  13           HZ1      LYS  13   6.289  -8.616  -5.190
   94   3HZ   LYS  13           HZ3      LYS  13   6.894  -7.068  -4.854
   95    HA   PRO  14           HA       PRO  14  -0.545 -11.992  -7.486
   96   1HB   PRO  14           HB2      PRO  14   1.317 -13.568  -8.751
   97   2HB   PRO  14           HB1      PRO  14   0.066 -12.647  -9.604
   98   1HG   PRO  14           HG2      PRO  14   2.984 -12.083  -9.374
   99   2HG   PRO  14           HG1      PRO  14   1.849 -11.614 -10.650
  100   1HD   PRO  14           HD2      PRO  14   2.819  -9.934  -8.619
  101   2HD   PRO  14           HD1      PRO  14   1.439  -9.597  -9.641
  102    H    ALA  15           HN       ALA  15   1.874 -10.742  -5.830
  103    HA   ALA  15           HA       ALA  15   2.067 -12.987  -3.986
  104   1HB   ALA  15           HB3      ALA  15   3.975 -12.913  -6.024
  105   2HB   ALA  15           HB2      ALA  15   4.793 -12.190  -4.640
  106   3HB   ALA  15           HB1      ALA  15   4.103 -13.808  -4.510
  107    H    CYS  16           HN       CYS  16   1.872 -11.944  -2.061
  108    HA   CYS  16           HA       CYS  16   3.017  -9.202  -1.829
  109   1HB   CYS  16           HB2      CYS  16   1.042 -10.613  -0.008
  110   2HB   CYS  16           HB1      CYS  16   1.540  -8.929   0.103
  111    H    THR  17           HN       THR  17   4.677  -8.807  -0.419
  112    HA   THR  17           HA       THR  17   6.300 -10.903   0.560
  113    HB   THR  17           HB       THR  17   6.962  -8.897   2.253
  114    HG1  THR  17           HG1      THR  17   5.037  -7.795   1.269
  115   1HG2  THR  17          HG22      THR  17   7.597  -9.463  -0.611
  116   2HG2  THR  17          HG21      THR  17   8.235  -7.983   0.105
  117   3HG2  THR  17          HG23      THR  17   8.642  -9.548   0.808
  118    H    LEU  18           HN       LEU  18   6.411 -11.946   2.569
  119    HA   LEU  18           HA       LEU  18   3.932 -12.014   4.089
  120   1HB   LEU  18           HB2      LEU  18   6.517 -13.255   5.018
  121   2HB   LEU  18           HB1      LEU  18   4.869 -13.842   5.238
  122    HG   LEU  18           HG       LEU  18   6.507 -13.835   2.694
  123   1HD1  LEU  18          HD12      LEU  18   5.179 -15.966   4.388
  124   2HD1  LEU  18          HD11      LEU  18   5.829 -16.276   2.777
  125   3HD1  LEU  18          HD13      LEU  18   6.903 -15.763   4.079
  126   1HD2  LEU  18          HD22      LEU  18   3.656 -13.512   3.017
  127   2HD2  LEU  18          HD21      LEU  18   4.594 -13.594   1.526
  128   3HD2  LEU  18          HD23      LEU  18   3.993 -15.074   2.274
  129    H    GLU  19           HN       GLU  19   7.170 -10.637   4.587
  130    HA   GLU  19           HA       GLU  19   7.162  -9.971   7.256
  131   1HB   GLU  19           HB2      GLU  19   7.978  -8.325   4.858
  132   2HB   GLU  19           HB1      GLU  19   8.253  -7.780   6.516
  133   1HG   GLU  19           HG2      GLU  19   9.990  -9.181   6.775
  134   2HG   GLU  19           HG1      GLU  19   9.065 -10.547   6.160
  135    H    TYR  20           HN       TYR  20   5.702  -9.012   8.497
  136    HA   TYR  20           HA       TYR  20   3.440  -7.635   7.273
  137   1HB   TYR  20           HB2      TYR  20   3.181  -9.109   9.230
  138   2HB   TYR  20           HB1      TYR  20   4.044  -7.937  10.217
  139    HD1  TYR  20           HD2      TYR  20   1.587  -7.345   7.452
  140    HD2  TYR  20           HD1      TYR  20   2.374  -7.085  11.670
  141    HE1  TYR  20           HE2      TYR  20  -0.536  -6.088   7.769
  142    HE2  TYR  20           HE1      TYR  20   0.258  -5.834  11.987
  143    HH   TYR  20           HH       TYR  20  -1.984  -5.662  10.715
  144    H    ARG  21           HN       ARG  21   3.847  -5.766   6.514
  145    HA   ARG  21           HA       ARG  21   4.811  -3.601   8.315
  146   1HB   ARG  21           HB2      ARG  21   5.615  -3.639   5.406
  147   2HB   ARG  21           HB1      ARG  21   6.346  -2.747   6.742
  148   1HG   ARG  21           HG2      ARG  21   6.428  -5.763   6.409
  149   2HG   ARG  21           HG1      ARG  21   7.759  -4.664   6.040
  150   1HD   ARG  21           HD2      ARG  21   8.276  -4.346   8.238
  151   2HD   ARG  21           HD1      ARG  21   6.586  -4.356   8.741
  152    HE   ARG  21           HE       ARG  21   7.104  -6.993   8.029
  153   1HH1  ARG  21          HH11      ARG  21   9.881  -6.721   8.859
  154   2HH1  ARG  21          HH12      ARG  21   9.825  -6.973  10.573
  155   1HH2  ARG  21          HH21      ARG  21   6.408  -6.442  10.806
  156   2HH2  ARG  21          HH22      ARG  21   7.858  -6.818  11.673
  157    HA   PRO  22           HA       PRO  22   0.690  -2.953   6.377
  158   1HB   PRO  22           HB2      PRO  22  -0.257  -1.612   8.610
  159   2HB   PRO  22           HB1      PRO  22  -0.368  -3.374   8.352
  160   1HG   PRO  22           HG2      PRO  22   1.509  -1.811  10.083
  161   2HG   PRO  22           HG1      PRO  22   0.866  -3.446  10.318
  162   1HD   PRO  22           HD2      PRO  22   3.433  -2.903   9.420
  163   2HD   PRO  22           HD1      PRO  22   2.568  -4.422   9.106
  164    H    LEU  23           HN       LEU  23   0.254  -1.235   5.051
  165    HA   LEU  23           HA       LEU  23   1.335   1.424   5.887
  166   1HB   LEU  23           HB2      LEU  23   0.582   0.264   3.181
  167   2HB   LEU  23           HB1      LEU  23   1.070   1.943   3.434
  168    HG   LEU  23           HG       LEU  23   3.021   0.482   4.777
  169   1HD1  LEU  23          HD13      LEU  23   1.933  -1.006   2.446
  170   2HD1  LEU  23          HD12      LEU  23   3.689  -0.926   2.593
  171   3HD1  LEU  23          HD11      LEU  23   2.723  -1.613   3.900
  172   1HD2  LEU  23          HD23      LEU  23   2.895   1.772   2.056
  173   2HD2  LEU  23          HD22      LEU  23   3.600   2.412   3.541
  174   3HD2  LEU  23          HD21      LEU  23   4.390   1.086   2.689
  175    H    CYS  24           HN       CYS  24  -0.252   3.290   5.518
  176    HA   CYS  24           HA       CYS  24  -3.078   2.286   5.722
  177   1HB   CYS  24           HB2      CYS  24  -2.936   3.273   7.764
  178   2HB   CYS  24           HB1      CYS  24  -1.523   4.196   7.311
  179    H    GLY  25           HN       GLY  25  -4.621   3.167   4.365
  180   1HA   GLY  25           HA2      GLY  25  -3.679   5.082   2.306
  181   2HA   GLY  25           HA1      GLY  25  -4.946   4.019   2.142
  182    H    SER  26           HN       SER  26  -4.979   6.758   1.515
  183    HA   SER  26           HA       SER  26  -5.984   8.495   3.488
  184   1HB   SER  26           HB2      SER  26  -5.343   9.285   1.270
  185   2HB   SER  26           HB1      SER  26  -6.662   8.377   0.534
  186    HG   SER  26           HG       SER  26  -8.097   9.759   1.374
  187    H    ASP  27           HN       ASP  27  -7.531   5.765   2.053
  188    HA   ASP  27           HA       ASP  27 -10.241   6.713   2.702
  189   1HB   ASP  27           HB2      ASP  27 -10.913   4.387   2.030
  190   2HB   ASP  27           HB1      ASP  27 -10.034   5.258   0.776
  191    H    ASN  28           HN       ASN  28  -7.999   6.254   4.759
  192    HA   ASN  28           HA       ASN  28  -7.825   5.468   6.941
  193   1HB   ASN  28           HB2      ASN  28  -9.909   6.690   7.262
  194   2HB   ASN  28           HB1      ASN  28 -10.838   5.345   6.599
  195   1HD2  ASN  28          HD22      ASN  28 -11.243   4.265   9.951
  196   2HD2  ASN  28          HD21      ASN  28 -12.009   4.854   8.554
  197    H    LYS  29           HN       LYS  29  -8.158   3.536   4.507
  198    HA   LYS  29           HA       LYS  29  -8.894   1.114   6.045
  199   1HB   LYS  29           HB2      LYS  29  -9.978   1.155   3.938
  200   2HB   LYS  29           HB1      LYS  29  -8.517   1.655   3.094
  201   1HG   LYS  29           HG2      LYS  29  -7.932  -0.479   2.784
  202   2HG   LYS  29           HG1      LYS  29  -7.984  -0.770   4.521
  203   1HD   LYS  29           HD2      LYS  29 -10.368  -1.240   4.428
  204   2HD   LYS  29           HD1      LYS  29 -10.421  -0.801   2.720
  205   1HE   LYS  29           HE2      LYS  29  -8.818  -3.095   3.891
  206   2HE   LYS  29           HE1      LYS  29 -10.335  -3.257   3.007
  207   1HZ   LYS  29           HZ3      LYS  29  -9.207  -2.082   1.133
  208   2HZ   LYS  29           HZ2      LYS  29  -7.744  -2.244   1.982
  209   3HZ   LYS  29           HZ1      LYS  29  -8.593  -3.625   1.473
  210    H    THR  30           HN       THR  30  -7.312  -0.140   6.815
  211    HA   THR  30           HA       THR  30  -4.515   0.570   6.204
  212    HB   THR  30           HB       THR  30  -5.779  -1.319   8.203
  213    HG1  THR  30           HG1      THR  30  -5.137   0.216   9.633
  214   1HG2  THR  30          HG23      THR  30  -3.556  -2.144   7.289
  215   2HG2  THR  30          HG22      THR  30  -2.833  -0.671   7.936
  216   3HG2  THR  30          HG21      THR  30  -3.582  -1.839   9.024
  217    H    TYR  31           HN       TYR  31  -3.312  -0.543   4.755
  218    HA   TYR  31           HA       TYR  31  -4.412  -3.095   3.740
  219   1HB   TYR  31           HB2      TYR  31  -2.116  -2.433   2.260
  220   2HB   TYR  31           HB1      TYR  31  -3.767  -2.295   1.742
  221    HD1  TYR  31           HD2      TYR  31  -1.011  -0.595   3.277
  222    HD2  TYR  31           HD1      TYR  31  -4.869  -0.069   1.555
  223    HE1  TYR  31           HE2      TYR  31  -0.664   1.881   3.105
  224    HE2  TYR  31           HE1      TYR  31  -4.513   2.349   1.377
  225    HH   TYR  31           HH       TYR  31  -1.399   3.769   2.366
  226    H    GLY  32           HN       GLY  32  -3.520  -4.970   4.369
  227   1HA   GLY  32           HA2      GLY  32  -1.996  -5.625   6.405
  228   2HA   GLY  32           HA1      GLY  32  -1.739  -6.488   4.900
  229    H    ASN  33           HN       ASN  33  -0.449  -4.446   3.418
  230    HA   ASN  33           HA       ASN  33   1.640  -3.158   4.803
  231   1HB   ASN  33           HB2      ASN  33   3.528  -4.712   4.304
  232   2HB   ASN  33           HB1      ASN  33   2.363  -5.415   5.415
  233   1HD2  ASN  33          HD22      ASN  33   2.652  -8.194   3.152
  234   2HD2  ASN  33          HD21      ASN  33   3.285  -7.549   4.589
  235    H    LYS  34           HN       LYS  34   3.721  -3.672   2.807
  236    HA   LYS  34           HA       LYS  34   3.043  -1.699   0.976
  237   1HB   LYS  34           HB2      LYS  34   4.836  -2.959  -0.525
  238   2HB   LYS  34           HB1      LYS  34   5.308  -2.109   0.943
  239   1HG   LYS  34           HG2      LYS  34   5.762  -4.038   2.080
  240   2HG   LYS  34           HG1      LYS  34   4.460  -4.932   1.299
  241   1HD   LYS  34           HD2      LYS  34   7.081  -4.160  -0.022
  242   2HD   LYS  34           HD1      LYS  34   6.691  -5.764   0.600
  243   1HE   LYS  34           HE2      LYS  34   4.537  -5.384  -0.974
  244   2HE   LYS  34           HE1      LYS  34   5.700  -4.389  -1.848
  245   1HZ   LYS  34           HZ1      LYS  34   6.668  -6.980  -0.978
  246   2HZ   LYS  34           HZ3      LYS  34   5.464  -7.022  -2.171
  247   3HZ   LYS  34           HZ2      LYS  34   6.906  -6.166  -2.450
  248    H    CYS  35           HN       CYS  35   3.082  -5.214   0.154
  249    HA   CYS  35           HA       CYS  35   1.934  -4.973  -2.371
  250   1HB   CYS  35           HB2      CYS  35   2.817  -7.090  -1.436
  251   2HB   CYS  35           HB1      CYS  35   1.423  -7.171  -0.361
  252    H    ASN  36           HN       ASN  36   0.055  -5.927   0.533
  253    HA   ASN  36           HA       ASN  36  -2.500  -5.598  -0.542
  254   1HB   ASN  36           HB2      ASN  36  -1.483  -5.018   2.241
  255   2HB   ASN  36           HB1      ASN  36  -3.183  -4.932   1.821
  256   1HD2  ASN  36          HD22      ASN  36  -1.377  -8.622   1.929
  257   2HD2  ASN  36          HD21      ASN  36  -0.413  -7.232   1.812
  258    H    PHE  37           HN       PHE  37  -0.152  -3.163   0.224
  259    HA   PHE  37           HA       PHE  37  -2.102  -1.034   0.396
  260   1HB   PHE  37           HB2      PHE  37  -0.023  -0.673   1.504
  261   2HB   PHE  37           HB1      PHE  37   0.899  -0.954   0.173
  262    HD1  PHE  37           HD1      PHE  37  -2.249   0.789   0.196
  263    HD2  PHE  37           HD2      PHE  37   1.977   1.232  -0.098
  264    HE1  PHE  37           HE1      PHE  37  -2.586   3.127  -0.410
  265    HE2  PHE  37           HE2      PHE  37   1.681   3.627  -0.729
  266    HZ   PHE  37           HZ       PHE  37  -0.620   4.584  -0.891
  267    H    CYS  38           HN       CYS  38   0.545  -1.336  -1.848
  268    HA   CYS  38           HA       CYS  38  -0.164   0.411  -3.791
  269   1HB   CYS  38           HB2      CYS  38   1.177  -2.251  -3.934
  270   2HB   CYS  38           HB1      CYS  38   0.718  -1.465  -5.444
  271    H    ASN  39           HN       ASN  39  -1.586  -2.861  -3.462
  272    HA   ASN  39           HA       ASN  39  -3.152  -2.635  -5.862
  273   1HB   ASN  39           HB2      ASN  39  -4.692  -4.103  -3.957
  274   2HB   ASN  39           HB1      ASN  39  -3.760  -4.731  -5.310
  275   1HD2  ASN  39          HD22      ASN  39  -1.220  -6.038  -3.247
  276   2HD2  ASN  39          HD21      ASN  39  -1.834  -5.870  -4.819
  277    H    ALA  40           HN       ALA  40  -3.844  -1.786  -2.475
  278    HA   ALA  40           HA       ALA  40  -6.501  -0.866  -2.770
  279   1HB   ALA  40           HB2      ALA  40  -4.253  -0.410  -0.887
  280   2HB   ALA  40           HB1      ALA  40  -5.406   0.919  -0.969
  281   3HB   ALA  40           HB3      ALA  40  -5.957  -0.700  -0.538
  282    H    VAL  41           HN       VAL  41  -3.528   0.404  -3.915
  283    HA   VAL  41           HA       VAL  41  -4.592   3.103  -4.403
  284    HB   VAL  41           HB       VAL  41  -2.012   1.693  -5.126
  285   1HG1  VAL  41          HG12      VAL  41  -2.926   3.603  -6.708
  286   2HG1  VAL  41          HG11      VAL  41  -2.397   4.656  -5.397
  287   3HG1  VAL  41          HG13      VAL  41  -1.237   3.602  -6.205
  288   1HG2  VAL  41          HG21      VAL  41  -2.516   2.290  -2.730
  289   2HG2  VAL  41          HG23      VAL  41  -1.075   3.070  -3.382
  290   3HG2  VAL  41          HG22      VAL  41  -2.577   3.980  -3.227
  291    H    VAL  42           HN       VAL  42  -3.182   0.605  -6.533
  292    HA   VAL  42           HA       VAL  42  -4.230   1.656  -8.926
  293    HB   VAL  42           HB       VAL  42  -2.498   0.128  -9.221
  294   1HG1  VAL  42          HG12      VAL  42  -3.736  -1.209  -6.940
  295   2HG1  VAL  42          HG11      VAL  42  -3.146  -2.334  -8.163
  296   3HG1  VAL  42          HG13      VAL  42  -2.046  -1.162  -7.439
  297   1HG2  VAL  42          HG22      VAL  42  -4.571  -0.335 -10.660
  298   2HG2  VAL  42          HG21      VAL  42  -3.346  -1.603 -10.577
  299   3HG2  VAL  42          HG23      VAL  42  -4.822  -1.738  -9.621
  300    H    GLU  43           HN       GLU  43  -5.966   0.222  -6.351
  301    HA   GLU  43           HA       GLU  43  -8.093  -0.824  -8.121
  302   1HB   GLU  43           HB2      GLU  43  -9.228  -1.247  -5.874
  303   2HB   GLU  43           HB1      GLU  43  -7.776  -2.177  -6.149
  304   1HG   GLU  43           HG2      GLU  43  -6.937  -1.314  -4.287
  305   2HG   GLU  43           HG1      GLU  43  -7.048   0.304  -4.975
  306    H    SER  44           HN       SER  44  -7.303   1.864  -6.035
  307    HA   SER  44           HA       SER  44  -9.981   3.066  -6.373
  308   1HB   SER  44           HB2      SER  44  -9.472   4.337  -4.543
  309   2HB   SER  44           HB1      SER  44  -8.213   3.134  -4.291
  310    HG   SER  44           HG       SER  44  -6.764   4.470  -5.328
  311    H    ASN  45           HN       ASN  45  -7.462   2.787  -8.356
  312    HA   ASN  45           HA       ASN  45  -6.994   3.974 -10.342
  313   1HB   ASN  45           HB2      ASN  45  -9.364   5.172  -9.565
  314   2HB   ASN  45           HB1      ASN  45  -8.227   6.516  -9.562
  315   1HD2  ASN  45          HD22      ASN  45  -9.497   5.008 -13.076
  316   2HD2  ASN  45          HD21      ASN  45 -10.139   4.506 -11.586
  317    H    GLY  46           HN       GLY  46  -6.058   4.520  -7.292
  318   1HA   GLY  46           HA2      GLY  46  -3.957   5.363  -6.588
  319   2HA   GLY  46           HA1      GLY  46  -3.782   6.181  -8.137
  320    H    THR  47           HN       THR  47  -6.850   6.760  -6.905
  321    HA   THR  47           HA       THR  47  -6.146   9.529  -6.265
  322    HB   THR  47           HB       THR  47  -8.294   8.817  -7.429
  323    HG1  THR  47           HG1      THR  47  -9.030  10.124  -5.088
  324   1HG2  THR  47          HG21      THR  47  -8.463   7.157  -5.142
  325   2HG2  THR  47          HG23      THR  47  -9.767   8.336  -5.005
  326   3HG2  THR  47          HG22      THR  47  -9.645   7.320  -6.441
  327    H    LEU  48           HN       LEU  48  -5.815   6.736  -4.568
  328    HA   LEU  48           HA       LEU  48  -6.833   7.690  -1.999
  329   1HB   LEU  48           HB2      LEU  48  -7.121   5.408  -2.146
  330   2HB   LEU  48           HB1      LEU  48  -5.728   5.203  -3.193
  331    HG   LEU  48           HG       LEU  48  -4.737   6.062  -0.664
  332   1HD1  LEU  48          HD11      LEU  48  -7.214   4.808  -0.386
  333   2HD1  LEU  48          HD13      LEU  48  -6.009   3.576  -0.010
  334   3HD1  LEU  48          HD12      LEU  48  -6.016   5.104   0.875
  335   1HD2  LEU  48          HD22      LEU  48  -4.439   3.952  -2.616
  336   2HD2  LEU  48          HD21      LEU  48  -3.256   4.566  -1.461
  337   3HD2  LEU  48          HD23      LEU  48  -4.373   3.288  -0.983
  338    H    THR  49           HN       THR  49  -3.762   6.183  -2.690
  339    HA   THR  49           HA       THR  49  -1.562   6.898  -2.388
  340    HB   THR  49           HB       THR  49  -1.022   9.094  -2.026
  341    HG1  THR  49           HG1      THR  49  -1.925   9.454  -0.059
  342   1HG2  THR  49          HG23      THR  49  -3.095   8.580  -3.762
  343   2HG2  THR  49          HG22      THR  49  -3.644  10.001  -2.871
  344   3HG2  THR  49          HG21      THR  49  -2.105  10.039  -3.734
  345    H    LEU  50           HN       LEU  50  -0.198   6.717  -0.646
  346    HA   LEU  50           HA       LEU  50  -1.276   5.471   1.697
  347   1HB   LEU  50           HB2      LEU  50   0.893   4.837   0.923
  348   2HB   LEU  50           HB1      LEU  50   1.446   6.504   0.849
  349    HG   LEU  50           HG       LEU  50   1.108   6.530   3.415
  350   1HD1  LEU  50          HD11      LEU  50   0.476   3.748   2.684
  351   2HD1  LEU  50          HD13      LEU  50   1.663   3.895   3.980
  352   3HD1  LEU  50          HD12      LEU  50   0.074   4.641   4.151
  353   1HD2  LEU  50          HD22      LEU  50   3.197   5.163   1.786
  354   2HD2  LEU  50          HD21      LEU  50   3.320   6.610   2.787
  355   3HD2  LEU  50          HD23      LEU  50   3.301   5.016   3.541
  356    H    SER  51           HN       SER  51  -0.756   6.436   3.962
  357    HA   SER  51           HA       SER  51  -0.994   9.417   3.907
  358   1HB   SER  51           HB2      SER  51  -2.962   7.660   4.915
  359   2HB   SER  51           HB1      SER  51  -2.049   8.158   6.302
  360    HG   SER  51           HG       SER  51  -2.305  10.354   5.446
  361    H    HIS  52           HN       HIS  52  -0.062   6.541   5.704
  362    HA   HIS  52           HA       HIS  52   2.459   7.746   6.507
  363   1HB   HIS  52           HB2      HIS  52   2.129   7.605   8.900
  364   2HB   HIS  52           HB1      HIS  52   0.841   8.605   8.236
  365    HD1  HIS  52           HD1      HIS  52   0.974   6.432  10.810
  366    HD2  HIS  52           HD2      HIS  52  -1.213   6.196   7.261
  367    HE1  HIS  52           HE1      HIS  52  -0.955   4.844  11.253
  368    H    PHE  53           HN       PHE  53   3.809   6.116   7.555
  369    HA   PHE  53           HA       PHE  53   3.315   3.475   6.445
  370   1HB   PHE  53           HB2      PHE  53   5.533   4.635   8.139
  371   2HB   PHE  53           HB1      PHE  53   5.499   2.940   7.650
  372    HD1  PHE  53           HD2      PHE  53   5.260   6.403   6.263
  373    HD2  PHE  53           HD1      PHE  53   6.305   2.302   5.537
  374    HE1  PHE  53           HE2      PHE  53   6.151   7.026   4.037
  375    HE2  PHE  53           HE1      PHE  53   7.203   2.925   3.310
  376    HZ   PHE  53           HZ       PHE  53   7.127   5.288   2.560
  377    H    GLY  54           HN       GLY  54   2.843   1.608   7.542
  378   1HA   GLY  54           HA2      GLY  54   2.567   0.283   9.578
  379   2HA   GLY  54           HA1      GLY  54   2.330   1.753  10.468
  380    H    LYS  55           HN       LYS  55   0.382   0.502  11.240
  381    HA   LYS  55           HA       LYS  55  -1.842   0.422   9.296
  382   1HB   LYS  55           HB2      LYS  55  -2.523  -0.100  12.101
  383   2HB   LYS  55           HB1      LYS  55  -2.794  -1.104  10.679
  384   1HG   LYS  55           HG2      LYS  55  -0.140  -1.408  10.868
  385   2HG   LYS  55           HG1      LYS  55  -0.481  -1.072  12.564
  386   1HD   LYS  55           HD2      LYS  55  -1.969  -3.154  10.944
  387   2HD   LYS  55           HD1      LYS  55  -0.567  -3.523  11.949
  388   1HE   LYS  55           HE2      LYS  55  -3.314  -2.645  12.779
  389   2HE   LYS  55           HE1      LYS  55  -2.309  -3.935  13.440
  390   1HZ   LYS  55           HZ1      LYS  55  -0.766  -2.102  14.184
  391   2HZ   LYS  55           HZ3      LYS  55  -2.017  -1.015  13.824
  392   3HZ   LYS  55           HZ2      LYS  55  -2.249  -2.211  15.007
  393    H    CYS  56           HN       CYS  56  -3.522   1.880   9.288
  394    HA   CYS  56           HA       CYS  56  -3.136   4.409  10.653
  395   1HB   CYS  56           HB2      CYS  56  -4.734   3.407   8.500
  396   2HB   CYS  56           HB1      CYS  56  -5.805   4.184   9.665
   
  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  13.911   6.352   9.076
    2   2H    LEU   1           HT3      LEU   1  14.506   5.208   7.974
    3   3H    LEU   1           HT2      LEU   1  15.558   6.351   8.661
    4    HA   LEU   1           HA       LEU   1  14.715   8.099   7.417
    5   1HB   LEU   1           HB2      LEU   1  15.109   5.531   5.989
    6   2HB   LEU   1           HB1      LEU   1  14.310   6.801   5.063
    7    HG   LEU   1           HG       LEU   1  16.692   7.617   6.644
    8   1HD1  LEU   1          HD12      LEU   1  16.740   5.546   4.519
    9   2HD1  LEU   1          HD11      LEU   1  17.915   6.850   4.345
   10   3HD1  LEU   1          HD13      LEU   1  17.901   5.866   5.809
   11   1HD2  LEU   1          HD21      LEU   1  15.123   8.469   4.335
   12   2HD2  LEU   1          HD23      LEU   1  16.214   9.411   5.352
   13   3HD2  LEU   1          HD22      LEU   1  16.853   8.487   3.993
   14    H    ALA   2           HN       ALA   2  12.988   8.885   5.894
   15    HA   ALA   2           HA       ALA   2  10.368   7.552   6.454
   16   1HB   ALA   2           HB3      ALA   2  11.031   9.889   7.587
   17   2HB   ALA   2           HB2      ALA   2  10.463  10.505   6.035
   18   3HB   ALA   2           HB1      ALA   2   9.386   9.550   7.052
   19    H    ALA   3           HN       ALA   3   9.735   6.717   4.518
   20    HA   ALA   3           HA       ALA   3  10.139   8.414   2.086
   21   1HB   ALA   3           HB2      ALA   3  10.520   5.531   2.595
   22   2HB   ALA   3           HB1      ALA   3   9.647   5.902   1.110
   23   3HB   ALA   3           HB3      ALA   3  11.260   6.565   1.372
   24    H    VAL   4           HN       VAL   4   8.151   9.493   2.100
   25    HA   VAL   4           HA       VAL   4   5.674   7.887   2.358
   26    HB   VAL   4           HB       VAL   4   6.031  10.876   1.980
   27   1HG1  VAL   4          HG11      VAL   4   3.732   9.095   1.992
   28   2HG1  VAL   4          HG13      VAL   4   3.624  10.286   3.288
   29   3HG1  VAL   4          HG12      VAL   4   3.806  10.817   1.615
   30   1HG2  VAL   4          HG21      VAL   4   5.562   9.213   4.477
   31   2HG2  VAL   4          HG23      VAL   4   7.032  10.107   4.088
   32   3HG2  VAL   4          HG22      VAL   4   5.533  10.976   4.416
   33    H    SER   5           HN       SER   5   6.168   6.755   0.273
   34    HA   SER   5           HA       SER   5   4.601   7.672  -1.866
   35   1HB   SER   5           HB2      SER   5   6.842   8.101  -3.360
   36   2HB   SER   5           HB1      SER   5   5.886   9.391  -2.633
   37    HG   SER   5           HG       SER   5   8.276   8.193  -1.730
   38    H    VAL   6           HN       VAL   6   4.231   5.353  -1.667
   39    HA   VAL   6           HA       VAL   6   6.446   3.572  -2.483
   40    HB   VAL   6           HB       VAL   6   3.676   2.519  -2.196
   41   1HG1  VAL   6          HG13      VAL   6   6.067   1.350  -2.467
   42   2HG1  VAL   6          HG12      VAL   6   6.065   1.516  -0.713
   43   3HG1  VAL   6          HG11      VAL   6   4.780   0.612  -1.513
   44   1HG2  VAL   6          HG22      VAL   6   5.090   4.072  -0.095
   45   2HG2  VAL   6          HG21      VAL   6   3.367   3.746  -0.284
   46   3HG2  VAL   6          HG23      VAL   6   4.426   2.520   0.413
   47    H    ASP   7           HN       ASP   7   6.813   3.345  -4.633
   48    HA   ASP   7           HA       ASP   7   4.829   4.097  -6.617
   49   1HB   ASP   7           HB2      ASP   7   7.179   4.410  -7.132
   50   2HB   ASP   7           HB1      ASP   7   7.507   2.699  -6.859
   51    H    CYS   8           HN       CYS   8   3.040   2.771  -6.730
   52    HA   CYS   8           HA       CYS   8   3.506  -0.171  -6.731
   53   1HB   CYS   8           HB2      CYS   8   0.887   1.344  -6.501
   54   2HB   CYS   8           HB1      CYS   8   1.113  -0.390  -6.291
   55    H    SER   9           HN       SER   9   4.361   0.907  -9.057
   56    HA   SER   9           HA       SER   9   2.196   1.063 -11.020
   57   1HB   SER   9           HB2      SER   9   5.100   1.526 -10.980
   58   2HB   SER   9           HB1      SER   9   4.515   0.811 -12.478
   59    HG   SER   9           HG       SER   9   4.006   3.297 -11.341
   60    H    GLU  10           HN       GLU  10   4.225  -1.396  -9.705
   61    HA   GLU  10           HA       GLU  10   3.819  -3.245 -11.958
   62   1HB   GLU  10           HB2      GLU  10   5.090  -4.832 -10.634
   63   2HB   GLU  10           HB1      GLU  10   5.897  -3.267 -10.534
   64   1HG   GLU  10           HG2      GLU  10   3.878  -3.501  -8.471
   65   2HG   GLU  10           HG1      GLU  10   5.014  -4.846  -8.379
   66    H    TYR  11           HN       TYR  11   1.994  -2.192  -9.349
   67    HA   TYR  11           HA       TYR  11   0.671  -4.692  -8.704
   68   1HB   TYR  11           HB2      TYR  11   0.254  -1.777  -8.016
   69   2HB   TYR  11           HB1      TYR  11  -0.854  -3.018  -7.447
   70    HD1  TYR  11           HD1      TYR  11  -0.083  -4.782  -5.875
   71    HD2  TYR  11           HD2      TYR  11   2.541  -1.674  -7.245
   72    HE1  TYR  11           HE1      TYR  11   1.560  -5.384  -4.106
   73    HE2  TYR  11           HE2      TYR  11   4.172  -2.264  -5.474
   74    HH   TYR  11           HH       TYR  11   4.382  -4.950  -3.997
   75    HA   PRO  12           HA       PRO  12  -1.469  -4.631  -7.774
   76   1HB   PRO  12           HB2      PRO  12  -3.559  -6.368  -8.214
   77   2HB   PRO  12           HB1      PRO  12  -3.769  -4.642  -7.879
   78   1HG   PRO  12           HG2      PRO  12  -4.160  -6.094 -10.423
   79   2HG   PRO  12           HG1      PRO  12  -4.747  -4.491  -9.953
   80   1HD   PRO  12           HD2      PRO  12  -2.483  -5.129 -11.600
   81   2HD   PRO  12           HD1      PRO  12  -3.050  -3.520 -11.190
   82    H    LYS  13           HN       LYS  13  -0.572  -6.445  -6.836
   83    HA   LYS  13           HA       LYS  13   0.580  -8.440  -8.699
   84   1HB   LYS  13           HB2      LYS  13   1.375  -7.205  -6.186
   85   2HB   LYS  13           HB1      LYS  13   1.507  -8.961  -6.115
   86   1HG   LYS  13           HG2      LYS  13   2.626  -8.660  -8.491
   87   2HG   LYS  13           HG1      LYS  13   2.934  -7.025  -7.902
   88   1HD   LYS  13           HD2      LYS  13   4.170  -7.833  -6.020
   89   2HD   LYS  13           HD1      LYS  13   3.640  -9.493  -6.301
   90   1HE   LYS  13           HE2      LYS  13   5.261  -9.859  -7.833
   91   2HE   LYS  13           HE1      LYS  13   4.950  -8.323  -8.641
   92   1HZ   LYS  13           HZ1      LYS  13   6.068  -7.620  -6.254
   93   2HZ   LYS  13           HZ3      LYS  13   6.956  -8.989  -6.720
   94   3HZ   LYS  13           HZ2      LYS  13   6.857  -7.650  -7.759
   95    HA   PRO  14           HA       PRO  14  -2.311 -11.484  -7.274
   96   1HB   PRO  14           HB2      PRO  14  -1.073 -13.646  -8.429
   97   2HB   PRO  14           HB1      PRO  14  -2.044 -12.475  -9.339
   98   1HG   PRO  14           HG2      PRO  14   0.914 -12.797  -9.254
   99   2HG   PRO  14           HG1      PRO  14  -0.102 -12.114 -10.532
  100   1HD   PRO  14           HD2      PRO  14   1.444 -10.646  -8.687
  101   2HD   PRO  14           HD1      PRO  14   0.187  -9.993  -9.725
  102    H    ALA  15           HN       ALA  15   0.433 -10.837  -5.838
  103    HA   ALA  15           HA       ALA  15   0.139 -12.853  -3.769
  104   1HB   ALA  15           HB1      ALA  15   1.795 -13.581  -5.879
  105   2HB   ALA  15           HB3      ALA  15   2.919 -12.944  -4.679
  106   3HB   ALA  15           HB2      ALA  15   1.834 -14.270  -4.257
  107    H    CYS  16           HN       CYS  16   0.361 -11.576  -2.009
  108    HA   CYS  16           HA       CYS  16   1.931  -9.106  -2.133
  109   1HB   CYS  16           HB2      CYS  16   0.378 -10.420   0.117
  110   2HB   CYS  16           HB1      CYS  16   1.156  -8.843   0.237
  111    H    THR  17           HN       THR  17   3.848  -8.690  -0.964
  112    HA   THR  17           HA       THR  17   5.727 -10.764  -0.661
  113    HB   THR  17           HB       THR  17   6.717  -9.034   1.118
  114    HG1  THR  17           HG1      THR  17   5.222  -7.235  -0.372
  115   1HG2  THR  17          HG22      THR  17   6.501  -8.902  -1.864
  116   2HG2  THR  17          HG21      THR  17   7.285  -7.571  -1.015
  117   3HG2  THR  17          HG23      THR  17   7.917  -9.210  -0.857
  118    H    LEU  18           HN       LEU  18   6.770 -10.992   1.807
  119    HA   LEU  18           HA       LEU  18   4.448 -11.933   3.434
  120   1HB   LEU  18           HB2      LEU  18   6.118 -13.569   4.424
  121   2HB   LEU  18           HB1      LEU  18   5.724 -13.840   2.727
  122    HG   LEU  18           HG       LEU  18   7.985 -11.997   3.192
  123   1HD1  LEU  18          HD11      LEU  18   8.087 -14.921   3.970
  124   2HD1  LEU  18          HD13      LEU  18   9.527 -13.984   3.569
  125   3HD1  LEU  18          HD12      LEU  18   8.536 -13.530   4.957
  126   1HD2  LEU  18          HD23      LEU  18   6.944 -13.791   1.190
  127   2HD2  LEU  18          HD22      LEU  18   8.210 -12.574   1.025
  128   3HD2  LEU  18          HD21      LEU  18   8.622 -14.211   1.535
  129    H    GLU  19           HN       GLU  19   7.245  -9.883   3.415
  130    HA   GLU  19           HA       GLU  19   7.800  -9.761   6.192
  131   1HB   GLU  19           HB2      GLU  19   8.737  -7.555   5.738
  132   2HB   GLU  19           HB1      GLU  19   9.163  -8.635   4.412
  133   1HG   GLU  19           HG2      GLU  19   6.596  -7.226   4.054
  134   2HG   GLU  19           HG1      GLU  19   8.010  -6.172   4.085
  135    H    TYR  20           HN       TYR  20   7.242  -7.237   7.061
  136    HA   TYR  20           HA       TYR  20   4.300  -6.949   6.775
  137   1HB   TYR  20           HB2      TYR  20   4.706  -8.356   8.762
  138   2HB   TYR  20           HB1      TYR  20   5.672  -7.061   9.468
  139    HD1  TYR  20           HD2      TYR  20   2.549  -6.807   7.437
  140    HD2  TYR  20           HD1      TYR  20   4.360  -6.316  11.302
  141    HE1  TYR  20           HE2      TYR  20   0.477  -5.722   8.266
  142    HE2  TYR  20           HE1      TYR  20   2.288  -5.233  12.133
  143    HH   TYR  20           HH       TYR  20  -0.569  -5.488  10.830
  144    H    ARG  21           HN       ARG  21   3.733  -4.958   6.506
  145    HA   ARG  21           HA       ARG  21   4.954  -2.708   7.894
  146   1HB   ARG  21           HB2      ARG  21   5.439  -3.171   4.944
  147   2HB   ARG  21           HB1      ARG  21   5.456  -1.548   5.636
  148   1HG   ARG  21           HG2      ARG  21   7.096  -2.559   7.388
  149   2HG   ARG  21           HG1      ARG  21   7.304  -3.857   6.211
  150   1HD   ARG  21           HD2      ARG  21   7.430  -1.229   4.956
  151   2HD   ARG  21           HD1      ARG  21   8.650  -1.413   6.216
  152    HE   ARG  21           HE       ARG  21   8.629  -3.759   4.574
  153   1HH1  ARG  21          HH11      ARG  21  10.248  -0.902   5.283
  154   2HH1  ARG  21          HH12      ARG  21  11.167  -0.855   3.815
  155   1HH2  ARG  21          HH21      ARG  21   9.479  -3.508   2.360
  156   2HH2  ARG  21          HH22      ARG  21  10.731  -2.330   2.161
  157    HA   PRO  22           HA       PRO  22   0.498  -2.563   6.811
  158   1HB   PRO  22           HB2      PRO  22  -0.177  -1.296   9.170
  159   2HB   PRO  22           HB1      PRO  22  -0.164  -3.064   8.938
  160   1HG   PRO  22           HG2      PRO  22   1.847  -1.320  10.313
  161   2HG   PRO  22           HG1      PRO  22   1.403  -3.000  10.657
  162   1HD   PRO  22           HD2      PRO  22   3.717  -2.269   9.313
  163   2HD   PRO  22           HD1      PRO  22   2.924  -3.850   9.127
  164    H    LEU  23           HN       LEU  23   0.381  -0.956   5.265
  165    HA   LEU  23           HA       LEU  23   1.109   1.786   6.145
  166   1HB   LEU  23           HB2      LEU  23   0.353   0.918   3.356
  167   2HB   LEU  23           HB1      LEU  23   1.315   2.317   3.847
  168    HG   LEU  23           HG       LEU  23   2.436  -0.188   4.843
  169   1HD1  LEU  23          HD11      LEU  23   1.426  -1.032   2.744
  170   2HD1  LEU  23          HD13      LEU  23   2.302   0.212   1.852
  171   3HD1  LEU  23          HD12      LEU  23   3.189  -1.051   2.706
  172   1HD2  LEU  23          HD22      LEU  23   3.350   2.274   4.458
  173   2HD2  LEU  23          HD21      LEU  23   4.413   0.869   4.362
  174   3HD2  LEU  23          HD23      LEU  23   3.785   1.602   2.885
  175    H    CYS  24           HN       CYS  24  -0.510   3.155   6.666
  176    HA   CYS  24           HA       CYS  24  -3.279   2.257   6.370
  177   1HB   CYS  24           HB2      CYS  24  -2.503   3.568   8.366
  178   2HB   CYS  24           HB1      CYS  24  -2.241   4.951   7.318
  179    H    GLY  25           HN       GLY  25  -4.882   3.867   5.277
  180   1HA   GLY  25           HA2      GLY  25  -3.637   5.275   2.991
  181   2HA   GLY  25           HA1      GLY  25  -4.709   3.998   2.677
  182    H    SER  26           HN       SER  26  -5.116   6.624   1.803
  183    HA   SER  26           HA       SER  26  -6.728   8.200   3.512
  184   1HB   SER  26           HB2      SER  26  -7.542   8.258   0.685
  185   2HB   SER  26           HB1      SER  26  -6.916   9.556   1.696
  186    HG   SER  26           HG       SER  26  -5.066   9.240   0.790
  187    H    ASP  27           HN       ASP  27  -7.556   5.445   1.435
  188    HA   ASP  27           HA       ASP  27 -10.330   5.576   1.334
  189   1HB   ASP  27           HB2      ASP  27 -10.113   2.959   1.869
  190   2HB   ASP  27           HB1      ASP  27  -9.585   3.634   0.328
  191    H    ASN  28           HN       ASN  28  -8.294   5.055   4.084
  192    HA   ASN  28           HA       ASN  28  -8.973   5.597   6.339
  193   1HB   ASN  28           HB2      ASN  28 -11.272   6.238   5.496
  194   2HB   ASN  28           HB1      ASN  28 -11.712   4.535   5.615
  195   1HD2  ASN  28          HD22      ASN  28 -10.568   5.423   9.331
  196   2HD2  ASN  28          HD21      ASN  28  -9.486   5.079   8.072
  197    H    LYS  29           HN       LYS  29  -8.156   3.040   4.820
  198    HA   LYS  29           HA       LYS  29  -8.761   1.206   7.092
  199   1HB   LYS  29           HB2      LYS  29  -8.197  -0.461   4.936
  200   2HB   LYS  29           HB1      LYS  29  -9.788  -0.135   5.607
  201   1HG   LYS  29           HG2      LYS  29  -9.941   1.848   4.051
  202   2HG   LYS  29           HG1      LYS  29  -8.443   1.285   3.310
  203   1HD   LYS  29           HD2      LYS  29  -9.703  -0.038   1.986
  204   2HD   LYS  29           HD1      LYS  29 -10.067  -0.992   3.424
  205   1HE   LYS  29           HE2      LYS  29 -12.227  -0.438   2.977
  206   2HE   LYS  29           HE1      LYS  29 -11.803   1.104   3.721
  207   1HZ   LYS  29           HZ3      LYS  29 -11.006   1.005   0.990
  208   2HZ   LYS  29           HZ2      LYS  29 -12.673   0.710   1.151
  209   3HZ   LYS  29           HZ1      LYS  29 -11.994   2.135   1.780
  210    H    THR  30           HN       THR  30  -7.100  -0.689   6.995
  211    HA   THR  30           HA       THR  30  -4.393   0.555   6.711
  212    HB   THR  30           HB       THR  30  -5.378  -1.768   8.405
  213    HG1  THR  30           HG1      THR  30  -4.724  -0.322  10.076
  214   1HG2  THR  30          HG22      THR  30  -3.091  -2.201   7.568
  215   2HG2  THR  30          HG21      THR  30  -2.579  -0.617   8.156
  216   3HG2  THR  30          HG23      THR  30  -3.081  -1.863   9.300
  217    H    TYR  31           HN       TYR  31  -2.659  -0.966   5.958
  218    HA   TYR  31           HA       TYR  31  -3.693  -3.178   4.264
  219   1HB   TYR  31           HB2      TYR  31  -1.772  -0.989   3.358
  220   2HB   TYR  31           HB1      TYR  31  -2.043  -2.489   2.515
  221    HD1  TYR  31           HD2      TYR  31  -4.311  -3.074   1.625
  222    HD2  TYR  31           HD1      TYR  31  -3.403   0.783   3.285
  223    HE1  TYR  31           HE2      TYR  31  -6.353  -2.140   0.573
  224    HE2  TYR  31           HE1      TYR  31  -5.447   1.717   2.234
  225    HH   TYR  31           HH       TYR  31  -7.706   0.756   1.447
  226    H    GLY  32           HN       GLY  32  -2.889  -4.833   5.405
  227   1HA   GLY  32           HA2      GLY  32  -1.013  -5.320   7.150
  228   2HA   GLY  32           HA1      GLY  32  -1.079  -6.396   5.769
  229    H    ASN  33           HN       ASN  33   0.133  -5.224   3.737
  230    HA   ASN  33           HA       ASN  33   2.577  -3.888   4.743
  231   1HB   ASN  33           HB2      ASN  33   4.060  -5.429   3.516
  232   2HB   ASN  33           HB1      ASN  33   3.168  -6.253   4.786
  233   1HD2  ASN  33          HD22      ASN  33   2.793  -8.477   1.908
  234   2HD2  ASN  33          HD21      ASN  33   3.978  -8.042   3.042
  235    H    LYS  34           HN       LYS  34   4.087  -3.821   2.523
  236    HA   LYS  34           HA       LYS  34   3.049  -1.719   1.025
  237   1HB   LYS  34           HB2      LYS  34   4.824  -2.102  -0.550
  238   2HB   LYS  34           HB1      LYS  34   5.438  -2.546   1.041
  239   1HG   LYS  34           HG2      LYS  34   4.839  -4.932   0.553
  240   2HG   LYS  34           HG1      LYS  34   4.393  -4.440  -1.082
  241   1HD   LYS  34           HD2      LYS  34   7.097  -3.679  -0.033
  242   2HD   LYS  34           HD1      LYS  34   6.831  -5.332  -0.589
  243   1HE   LYS  34           HE2      LYS  34   7.386  -4.433  -2.620
  244   2HE   LYS  34           HE1      LYS  34   5.682  -3.975  -2.632
  245   1HZ   LYS  34           HZ1      LYS  34   7.155  -2.066  -1.179
  246   2HZ   LYS  34           HZ3      LYS  34   7.902  -2.297  -2.685
  247   3HZ   LYS  34           HZ2      LYS  34   6.264  -1.855  -2.610
  248    H    CYS  35           HN       CYS  35   2.921  -5.184   0.092
  249    HA   CYS  35           HA       CYS  35   1.642  -4.802  -2.368
  250   1HB   CYS  35           HB2      CYS  35   2.357  -7.017  -1.743
  251   2HB   CYS  35           HB1      CYS  35   1.291  -7.019  -0.338
  252    H    ASN  36           HN       ASN  36  -0.164  -5.833   0.536
  253    HA   ASN  36           HA       ASN  36  -2.724  -5.293  -0.270
  254   1HB   ASN  36           HB2      ASN  36  -1.454  -4.773   2.419
  255   2HB   ASN  36           HB1      ASN  36  -3.188  -4.589   2.144
  256   1HD2  ASN  36          HD22      ASN  36  -1.532  -8.336   2.153
  257   2HD2  ASN  36          HD21      ASN  36  -0.536  -6.967   2.060
  258    H    PHE  37           HN       PHE  37  -0.403  -2.812   0.835
  259    HA   PHE  37           HA       PHE  37  -2.239  -0.628   0.842
  260   1HB   PHE  37           HB2      PHE  37  -0.049  -0.411   1.785
  261   2HB   PHE  37           HB1      PHE  37   0.758  -0.631   0.374
  262    HD1  PHE  37           HD1      PHE  37  -2.047   1.469   1.559
  263    HD2  PHE  37           HD2      PHE  37   1.560   1.203  -0.693
  264    HE1  PHE  37           HE1      PHE  37  -2.251   3.887   0.974
  265    HE2  PHE  37           HE2      PHE  37   1.389   3.615  -1.292
  266    HZ   PHE  37           HZ       PHE  37  -0.531   4.955  -0.459
  267    H    CYS  38           HN       CYS  38  -0.027  -1.699  -1.588
  268    HA   CYS  38           HA       CYS  38  -0.694   0.116  -3.645
  269   1HB   CYS  38           HB2      CYS  38   0.291  -2.742  -3.851
  270   2HB   CYS  38           HB1      CYS  38   0.236  -1.605  -5.195
  271    H    ASN  39           HN       ASN  39  -1.983  -3.204  -3.096
  272    HA   ASN  39           HA       ASN  39  -3.773  -3.375  -5.200
  273   1HB   ASN  39           HB2      ASN  39  -3.575  -4.515  -2.532
  274   2HB   ASN  39           HB1      ASN  39  -5.249  -4.253  -2.986
  275   1HD2  ASN  39          HD22      ASN  39  -3.044  -6.748  -5.334
  276   2HD2  ASN  39          HD21      ASN  39  -2.255  -5.485  -4.536
  277    H    ALA  40           HN       ALA  40  -3.932  -1.285  -2.391
  278    HA   ALA  40           HA       ALA  40  -6.685  -0.455  -2.788
  279   1HB   ALA  40           HB3      ALA  40  -4.980  -0.109  -0.743
  280   2HB   ALA  40           HB2      ALA  40  -4.678   1.409  -1.589
  281   3HB   ALA  40           HB1      ALA  40  -6.306   1.016  -1.039
  282    H    VAL  41           HN       VAL  41  -3.511   0.932  -3.602
  283    HA   VAL  41           HA       VAL  41  -4.422   3.199  -5.052
  284    HB   VAL  41           HB       VAL  41  -1.969   1.512  -5.634
  285   1HG1  VAL  41          HG13      VAL  41  -2.597   3.298  -7.303
  286   2HG1  VAL  41          HG12      VAL  41  -2.427   4.485  -6.010
  287   3HG1  VAL  41          HG11      VAL  41  -1.029   3.547  -6.536
  288   1HG2  VAL  41          HG22      VAL  41  -2.565   2.491  -3.197
  289   2HG2  VAL  41          HG21      VAL  41  -0.915   2.449  -3.818
  290   3HG2  VAL  41          HG23      VAL  41  -1.855   3.939  -3.910
  291    H    VAL  42           HN       VAL  42  -3.394   0.039  -6.389
  292    HA   VAL  42           HA       VAL  42  -4.166   0.530  -9.058
  293    HB   VAL  42           HB       VAL  42  -4.026  -1.879  -9.352
  294   1HG1  VAL  42          HG11      VAL  42  -2.026  -0.295  -8.410
  295   2HG1  VAL  42          HG13      VAL  42  -2.032  -1.575  -7.196
  296   3HG1  VAL  42          HG12      VAL  42  -1.799  -1.974  -8.898
  297   1HG2  VAL  42          HG22      VAL  42  -4.714  -1.851  -6.469
  298   2HG2  VAL  42          HG21      VAL  42  -5.131  -3.030  -7.711
  299   3HG2  VAL  42          HG23      VAL  42  -3.534  -3.059  -6.969
  300    H    GLU  43           HN       GLU  43  -6.126  -0.236  -6.284
  301    HA   GLU  43           HA       GLU  43  -8.419  -0.992  -7.991
  302   1HB   GLU  43           HB2      GLU  43  -7.707  -1.835  -5.511
  303   2HB   GLU  43           HB1      GLU  43  -8.845  -0.572  -5.087
  304   1HG   GLU  43           HG2      GLU  43 -10.312  -1.697  -6.968
  305   2HG   GLU  43           HG1      GLU  43  -9.304  -3.101  -6.616
  306    H    SER  44           HN       SER  44  -7.070   1.794  -6.499
  307    HA   SER  44           HA       SER  44  -9.681   3.206  -6.717
  308   1HB   SER  44           HB2      SER  44  -8.742   3.567  -4.566
  309   2HB   SER  44           HB1      SER  44  -7.133   3.830  -5.230
  310    HG   SER  44           HG       SER  44  -9.407   5.501  -5.307
  311    H    ASN  45           HN       ASN  45  -7.715   2.511  -8.964
  312    HA   ASN  45           HA       ASN  45  -7.004   3.541 -10.931
  313   1HB   ASN  45           HB2      ASN  45  -8.719   5.744  -9.775
  314   2HB   ASN  45           HB1      ASN  45  -7.887   5.896 -11.313
  315   1HD2  ASN  45          HD22      ASN  45  -9.846   3.124 -12.745
  316   2HD2  ASN  45          HD21      ASN  45  -8.209   3.548 -12.591
  317    H    GLY  46           HN       GLY  46  -5.833   4.088  -8.032
  318   1HA   GLY  46           HA2      GLY  46  -3.724   4.856  -7.392
  319   2HA   GLY  46           HA1      GLY  46  -3.490   5.537  -8.990
  320    H    THR  47           HN       THR  47  -6.414   6.344  -7.375
  321    HA   THR  47           HA       THR  47  -5.485   9.135  -7.070
  322    HB   THR  47           HB       THR  47  -7.836   9.667  -6.703
  323    HG1  THR  47           HG1      THR  47  -9.222   8.191  -6.104
  324   1HG2  THR  47          HG21      THR  47  -6.956   9.110  -9.044
  325   2HG2  THR  47          HG23      THR  47  -7.776   7.560  -8.865
  326   3HG2  THR  47          HG22      THR  47  -8.706   9.058  -8.831
  327    H    LEU  48           HN       LEU  48  -5.678   6.304  -5.236
  328    HA   LEU  48           HA       LEU  48  -6.272   7.556  -2.685
  329   1HB   LEU  48           HB2      LEU  48  -6.906   5.340  -2.640
  330   2HB   LEU  48           HB1      LEU  48  -5.637   4.847  -3.755
  331    HG   LEU  48           HG       LEU  48  -4.700   5.856  -1.154
  332   1HD1  LEU  48          HD11      LEU  48  -6.398   3.403  -1.457
  333   2HD1  LEU  48          HD13      LEU  48  -5.184   3.530  -0.183
  334   3HD1  LEU  48          HD12      LEU  48  -6.519   4.683  -0.249
  335   1HD2  LEU  48          HD22      LEU  48  -4.009   3.816  -3.209
  336   2HD2  LEU  48          HD21      LEU  48  -2.962   4.960  -2.370
  337   3HD2  LEU  48          HD23      LEU  48  -3.490   3.487  -1.555
  338    H    THR  49           HN       THR  49  -4.678   7.916  -1.064
  339    HA   THR  49           HA       THR  49  -1.869   7.906  -2.068
  340    HB   THR  49           HB       THR  49  -1.469   9.993  -1.081
  341    HG1  THR  49           HG1      THR  49  -2.798  10.851   0.495
  342   1HG2  THR  49          HG21      THR  49  -3.107   9.967  -3.032
  343   2HG2  THR  49          HG23      THR  49  -4.375  10.232  -1.835
  344   3HG2  THR  49          HG22      THR  49  -3.095  11.428  -2.043
  345    H    LEU  50           HN       LEU  50  -0.280   7.465  -0.529
  346    HA   LEU  50           HA       LEU  50  -0.954   5.487   1.429
  347   1HB   LEU  50           HB2      LEU  50   1.219   5.396   0.482
  348   2HB   LEU  50           HB1      LEU  50   1.508   7.111   0.761
  349    HG   LEU  50           HG       LEU  50   1.340   6.560   3.268
  350   1HD1  LEU  50          HD13      LEU  50   1.434   3.826   2.003
  351   2HD1  LEU  50          HD12      LEU  50   2.112   4.099   3.607
  352   3HD1  LEU  50          HD11      LEU  50   0.400   4.399   3.311
  353   1HD2  LEU  50          HD23      LEU  50   3.516   5.734   1.372
  354   2HD2  LEU  50          HD22      LEU  50   3.465   7.113   2.471
  355   3HD2  LEU  50          HD21      LEU  50   3.721   5.487   3.106
  356    H    SER  51           HN       SER  51  -1.748   5.907   3.463
  357    HA   SER  51           HA       SER  51  -1.944   8.646   4.424
  358   1HB   SER  51           HB2      SER  51  -3.616   6.858   4.704
  359   2HB   SER  51           HB1      SER  51  -2.766   6.101   5.949
  360    HG   SER  51           HG       SER  51  -3.687   8.795   5.858
  361    H    HIS  52           HN       HIS  52   0.116   5.983   4.867
  362    HA   HIS  52           HA       HIS  52   2.356   7.139   5.832
  363   1HB   HIS  52           HB2      HIS  52   2.201   7.076   8.356
  364   2HB   HIS  52           HB1      HIS  52   1.273   8.364   7.598
  365    HD1  HIS  52           HD1      HIS  52   0.907   5.081   9.359
  366    HD2  HIS  52           HD2      HIS  52  -1.572   8.043   7.784
  367    HE1  HIS  52           HE1      HIS  52  -1.425   4.539  10.159
  368    H    PHE  53           HN       PHE  53   3.673   5.715   7.468
  369    HA   PHE  53           HA       PHE  53   3.236   2.908   6.717
  370   1HB   PHE  53           HB2      PHE  53   5.401   4.297   8.323
  371   2HB   PHE  53           HB1      PHE  53   5.384   2.566   7.989
  372    HD1  PHE  53           HD2      PHE  53   5.470   5.924   6.413
  373    HD2  PHE  53           HD1      PHE  53   6.032   1.704   5.857
  374    HE1  PHE  53           HE2      PHE  53   6.466   6.352   4.189
  375    HE2  PHE  53           HE1      PHE  53   7.033   2.130   3.627
  376    HZ   PHE  53           HZ       PHE  53   7.251   4.456   2.791
  377    H    GLY  54           HN       GLY  54   3.050   1.221   8.336
  378   1HA   GLY  54           HA2      GLY  54   2.521   0.381  10.517
  379   2HA   GLY  54           HA1      GLY  54   2.410   2.005  11.081
  380    H    LYS  55           HN       LYS  55   0.348   0.628  11.971
  381    HA   LYS  55           HA       LYS  55  -1.897   0.631  10.172
  382   1HB   LYS  55           HB2      LYS  55  -2.042  -1.039  11.796
  383   2HB   LYS  55           HB1      LYS  55  -1.274  -0.043  13.011
  384   1HG   LYS  55           HG2      LYS  55  -3.178   1.003  13.614
  385   2HG   LYS  55           HG1      LYS  55  -3.864   0.851  12.012
  386   1HD   LYS  55           HD2      LYS  55  -3.748  -1.757  12.659
  387   2HD   LYS  55           HD1      LYS  55  -3.940  -1.066  14.270
  388   1HE   LYS  55           HE2      LYS  55  -6.110  -0.586  13.895
  389   2HE   LYS  55           HE1      LYS  55  -5.737   0.190  12.356
  390   1HZ   LYS  55           HZ1      LYS  55  -5.346  -2.459  11.869
  391   2HZ   LYS  55           HZ3      LYS  55  -6.713  -2.451  12.874
  392   3HZ   LYS  55           HZ2      LYS  55  -6.719  -1.559  11.428
  393    H    CYS  56           HN       CYS  56  -3.791   2.008  10.697
  394    HA   CYS  56           HA       CYS  56  -3.011   4.779  11.115
  395   1HB   CYS  56           HB2      CYS  56  -5.317   3.355  10.106
  396   2HB   CYS  56           HB1      CYS  56  -5.816   4.609  11.244
   
  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  -1.443  15.883   3.510
    2   2H    LEU   1           HT2      LEU   1  -2.112  17.283   2.820
    3   3H    LEU   1           HT1      LEU   1  -1.522  16.041   1.823
    4    HA   LEU   1           HA       LEU   1   0.095  17.753   1.798
    5   1HB   LEU   1           HB2      LEU   1  -0.724  17.940   4.605
    6   2HB   LEU   1           HB1      LEU   1   1.028  17.992   4.399
    7    HG   LEU   1           HG       LEU   1  -0.072  20.252   4.273
    8   1HD1  LEU   1          HD11      LEU   1   2.070  19.399   2.974
    9   2HD1  LEU   1          HD13      LEU   1   1.044  19.632   1.559
   10   3HD1  LEU   1          HD12      LEU   1   1.397  20.991   2.626
   11   1HD2  LEU   1          HD22      LEU   1  -2.088  19.188   3.010
   12   2HD2  LEU   1          HD21      LEU   1  -1.550  20.794   2.520
   13   3HD2  LEU   1          HD23      LEU   1  -1.086  19.381   1.571
   14    H    ALA   2           HN       ALA   2   2.171  17.010   1.438
   15    HA   ALA   2           HA       ALA   2   4.064  15.610   1.600
   16   1HB   ALA   2           HB2      ALA   2   3.027  15.614   4.200
   17   2HB   ALA   2           HB1      ALA   2   3.168  13.905   3.787
   18   3HB   ALA   2           HB3      ALA   2   4.583  14.953   3.698
   19    H    ALA   3           HN       ALA   3   4.515  13.624   0.609
   20    HA   ALA   3           HA       ALA   3   2.224  11.733   0.309
   21   1HB   ALA   3           HB1      ALA   3   3.546  13.311  -1.752
   22   2HB   ALA   3           HB3      ALA   3   3.639  11.583  -2.092
   23   3HB   ALA   3           HB2      ALA   3   2.070  12.352  -1.855
   24    H    VAL   4           HN       VAL   4   3.272  10.321   1.821
   25    HA   VAL   4           HA       VAL   4   5.911   9.235   0.943
   26    HB   VAL   4           HB       VAL   4   4.817   8.245   3.491
   27   1HG1  VAL   4          HG13      VAL   4   7.303   8.609   2.219
   28   2HG1  VAL   4          HG12      VAL   4   7.319   9.696   3.607
   29   3HG1  VAL   4          HG11      VAL   4   7.024   7.973   3.840
   30   1HG2  VAL   4          HG23      VAL   4   5.091  11.181   2.954
   31   2HG2  VAL   4          HG22      VAL   4   3.956  10.339   4.007
   32   3HG2  VAL   4          HG21      VAL   4   5.629  10.563   4.516
   33    H    SER   5           HN       SER   5   4.818   8.032  -0.794
   34    HA   SER   5           HA       SER   5   3.006   5.854   0.068
   35   1HB   SER   5           HB2      SER   5   3.226   7.388  -2.266
   36   2HB   SER   5           HB1      SER   5   3.805   5.789  -2.726
   37    HG   SER   5           HG       SER   5   1.789   5.228  -2.735
   38    H    VAL   6           HN       VAL   6   3.748   3.908  -1.843
   39    HA   VAL   6           HA       VAL   6   6.584   3.283  -1.258
   40    HB   VAL   6           HB       VAL   6   4.273   1.467  -0.577
   41   1HG1  VAL   6          HG11      VAL   6   6.951   0.853  -1.334
   42   2HG1  VAL   6          HG13      VAL   6   6.810   0.551   0.397
   43   3HG1  VAL   6          HG12      VAL   6   5.719  -0.255  -0.729
   44   1HG2  VAL   6          HG22      VAL   6   6.149   3.180   1.002
   45   2HG2  VAL   6          HG21      VAL   6   4.430   2.885   1.256
   46   3HG2  VAL   6          HG23      VAL   6   5.612   1.656   1.708
   47    H    ASP   7           HN       ASP   7   5.601   3.993  -3.704
   48    HA   ASP   7           HA       ASP   7   5.621   3.277  -5.949
   49   1HB   ASP   7           HB2      ASP   7   7.635   2.012  -5.150
   50   2HB   ASP   7           HB1      ASP   7   6.575   0.657  -4.764
   51    H    CYS   8           HN       CYS   8   4.151   2.204  -7.374
   52    HA   CYS   8           HA       CYS   8   2.394   0.098  -6.341
   53   1HB   CYS   8           HB2      CYS   8   1.474   2.213  -5.372
   54   2HB   CYS   8           HB1      CYS   8   1.225   2.816  -7.007
   55    H    SER   9           HN       SER   9   4.179   0.904  -8.730
   56    HA   SER   9           HA       SER   9   2.223   0.808 -10.943
   57   1HB   SER   9           HB2      SER   9   3.956   2.220 -11.562
   58   2HB   SER   9           HB1      SER   9   5.172   1.273 -10.707
   59    HG   SER   9           HG       SER   9   5.370  -0.001 -12.393
   60    H    GLU  10           HN       GLU  10   3.696  -1.433  -8.954
   61    HA   GLU  10           HA       GLU  10   3.807  -3.483 -11.124
   62   1HB   GLU  10           HB2      GLU  10   5.043  -3.405  -8.361
   63   2HB   GLU  10           HB1      GLU  10   5.070  -4.833  -9.397
   64   1HG   GLU  10           HG2      GLU  10   7.061  -3.894 -10.070
   65   2HG   GLU  10           HG1      GLU  10   5.983  -3.027 -11.167
   66    H    TYR  11           HN       TYR  11   1.291  -2.563  -9.944
   67    HA   TYR  11           HA       TYR  11   0.398  -5.126  -8.778
   68   1HB   TYR  11           HB2      TYR  11  -0.252  -2.314  -7.872
   69   2HB   TYR  11           HB1      TYR  11  -1.097  -3.743  -7.284
   70    HD1  TYR  11           HD2      TYR  11   2.155  -1.964  -7.346
   71    HD2  TYR  11           HD1      TYR  11  -0.013  -5.350  -5.822
   72    HE1  TYR  11           HE2      TYR  11   3.993  -2.426  -5.751
   73    HE2  TYR  11           HE1      TYR  11   1.827  -5.801  -4.221
   74    HH   TYR  11           HH       TYR  11   4.423  -5.257  -4.207
   75    HA   PRO  12           HA       PRO  12  -1.837  -5.307  -7.836
   76   1HB   PRO  12           HB2      PRO  12  -3.425  -7.420  -8.603
   77   2HB   PRO  12           HB1      PRO  12  -4.066  -5.826  -8.164
   78   1HG   PRO  12           HG2      PRO  12  -3.712  -7.029 -10.887
   79   2HG   PRO  12           HG1      PRO  12  -4.937  -5.879 -10.320
   80   1HD   PRO  12           HD2      PRO  12  -2.671  -5.175 -11.803
   81   2HD   PRO  12           HD1      PRO  12  -3.640  -4.082 -10.870
   82    H    LYS  13           HN       LYS  13  -1.076  -7.356  -7.001
   83    HA   LYS  13           HA       LYS  13   0.679  -8.854  -8.907
   84   1HB   LYS  13           HB2      LYS  13   1.311  -7.474  -6.493
   85   2HB   LYS  13           HB1      LYS  13   1.476  -9.201  -6.172
   86   1HG   LYS  13           HG2      LYS  13   2.766  -9.274  -8.427
   87   2HG   LYS  13           HG1      LYS  13   2.904  -7.527  -8.230
   88   1HD   LYS  13           HD2      LYS  13   4.305  -7.701  -6.413
   89   2HD   LYS  13           HD1      LYS  13   3.585  -9.218  -5.873
   90   1HE   LYS  13           HE2      LYS  13   4.838 -10.501  -7.373
   91   2HE   LYS  13           HE1      LYS  13   5.129  -9.137  -8.451
   92   1HZ   LYS  13           HZ3      LYS  13   6.274  -8.276  -6.202
   93   2HZ   LYS  13           HZ2      LYS  13   6.549  -9.947  -6.060
   94   3HZ   LYS  13           HZ1      LYS  13   7.109  -9.104  -7.425
   95    HA   PRO  14           HA       PRO  14  -1.747 -12.337  -7.714
   96   1HB   PRO  14           HB2      PRO  14  -0.061 -14.295  -8.644
   97   2HB   PRO  14           HB1      PRO  14  -1.085 -13.298  -9.692
   98   1HG   PRO  14           HG2      PRO  14   1.858 -13.136  -9.237
   99   2HG   PRO  14           HG1      PRO  14   0.917 -12.667 -10.660
  100   1HD   PRO  14           HD2      PRO  14   1.957 -10.905  -8.742
  101   2HD   PRO  14           HD1      PRO  14   0.714 -10.510  -9.912
  102    H    ALA  15           HN       ALA  15   0.681 -11.294  -5.930
  103    HA   ALA  15           HA       ALA  15   0.303 -12.900  -3.693
  104   1HB   ALA  15           HB3      ALA  15   2.296 -14.062  -5.621
  105   2HB   ALA  15           HB2      ALA  15   2.517 -14.290  -3.886
  106   3HB   ALA  15           HB1      ALA  15   1.056 -14.884  -4.675
  107    H    CYS  16           HN       CYS  16   1.347 -11.921  -1.997
  108    HA   CYS  16           HA       CYS  16   3.604 -10.079  -2.691
  109   1HB   CYS  16           HB2      CYS  16   1.633  -8.895  -1.751
  110   2HB   CYS  16           HB1      CYS  16   1.691  -9.946  -0.342
  111    H    THR  17           HN       THR  17   5.319  -9.915  -1.083
  112    HA   THR  17           HA       THR  17   6.241 -12.428  -0.088
  113    HB   THR  17           HB       THR  17   7.778 -10.929   1.338
  114    HG1  THR  17           HG1      THR  17   7.603  -8.698   0.263
  115   1HG2  THR  17          HG22      THR  17   7.651 -11.366  -1.501
  116   2HG2  THR  17          HG21      THR  17   8.366  -9.786  -1.178
  117   3HG2  THR  17          HG23      THR  17   9.072 -11.237  -0.466
  118    H    LEU  18           HN       LEU  18   6.882 -11.895   2.653
  119    HA   LEU  18           HA       LEU  18   4.135 -11.728   3.805
  120   1HB   LEU  18           HB2      LEU  18   6.301 -13.316   5.157
  121   2HB   LEU  18           HB1      LEU  18   4.558 -13.517   5.213
  122    HG   LEU  18           HG       LEU  18   5.067 -13.896   2.543
  123   1HD1  LEU  18          HD13      LEU  18   7.548 -13.867   3.258
  124   2HD1  LEU  18          HD12      LEU  18   7.217 -15.426   4.012
  125   3HD1  LEU  18          HD11      LEU  18   7.010 -15.225   2.271
  126   1HD2  LEU  18          HD21      LEU  18   4.884 -15.853   4.849
  127   2HD2  LEU  18          HD23      LEU  18   3.582 -15.311   3.788
  128   3HD2  LEU  18          HD22      LEU  18   4.851 -16.364   3.161
  129    H    GLU  19           HN       GLU  19   7.334 -10.494   3.879
  130    HA   GLU  19           HA       GLU  19   7.707  -9.684   6.502
  131   1HB   GLU  19           HB2      GLU  19   9.019  -7.849   5.668
  132   2HB   GLU  19           HB1      GLU  19   9.243  -9.190   4.551
  133   1HG   GLU  19           HG2      GLU  19   6.974  -7.672   3.672
  134   2HG   GLU  19           HG1      GLU  19   8.302  -6.573   3.983
  135    H    TYR  20           HN       TYR  20   6.602  -8.391   7.843
  136    HA   TYR  20           HA       TYR  20   4.095  -7.231   6.835
  137   1HB   TYR  20           HB2      TYR  20   4.250  -8.567   8.966
  138   2HB   TYR  20           HB1      TYR  20   5.072  -7.188   9.689
  139    HD1  TYR  20           HD2      TYR  20   2.216  -7.321   7.237
  140    HD2  TYR  20           HD1      TYR  20   3.544  -6.217  11.180
  141    HE1  TYR  20           HE2      TYR  20   0.028  -6.242   7.676
  142    HE2  TYR  20           HE1      TYR  20   1.353  -5.142  11.612
  143    HH   TYR  20           HH       TYR  20  -0.804  -5.002  10.866
  144    H    ARG  21           HN       ARG  21   3.737  -5.215   6.475
  145    HA   ARG  21           HA       ARG  21   5.109  -3.015   7.807
  146   1HB   ARG  21           HB2      ARG  21   5.577  -3.562   4.852
  147   2HB   ARG  21           HB1      ARG  21   5.935  -2.024   5.637
  148   1HG   ARG  21           HG2      ARG  21   7.425  -3.250   7.236
  149   2HG   ARG  21           HG1      ARG  21   7.149  -4.720   6.301
  150   1HD   ARG  21           HD2      ARG  21   8.757  -4.109   4.851
  151   2HD   ARG  21           HD1      ARG  21   7.861  -2.639   4.475
  152    HE   ARG  21           HE       ARG  21   9.066  -1.602   6.456
  153   1HH1  ARG  21          HH11      ARG  21  10.434  -3.870   7.642
  154   2HH1  ARG  21          HH12      ARG  21  11.995  -3.855   6.892
  155   1HH2  ARG  21          HH21      ARG  21  11.010  -1.803   4.276
  156   2HH2  ARG  21          HH22      ARG  21  12.321  -2.684   4.986
  157    HA   PRO  22           HA       PRO  22   0.702  -2.679   6.423
  158   1HB   PRO  22           HB2      PRO  22  -0.079  -1.497   8.814
  159   2HB   PRO  22           HB1      PRO  22  -0.116  -3.252   8.487
  160   1HG   PRO  22           HG2      PRO  22   1.868  -1.646  10.061
  161   2HG   PRO  22           HG1      PRO  22   1.330  -3.318  10.310
  162   1HD   PRO  22           HD2      PRO  22   3.755  -2.652   9.153
  163   2HD   PRO  22           HD1      PRO  22   2.899  -4.177   8.837
  164    H    LEU  23           HN       LEU  23   0.036  -0.912   5.259
  165    HA   LEU  23           HA       LEU  23   1.082   1.724   6.236
  166   1HB   LEU  23           HB2      LEU  23   0.286   1.156   3.381
  167   2HB   LEU  23           HB1      LEU  23   1.275   2.480   4.003
  168    HG   LEU  23           HG       LEU  23   2.413  -0.080   4.743
  169   1HD1  LEU  23          HD11      LEU  23   1.586   0.377   1.909
  170   2HD1  LEU  23          HD13      LEU  23   3.128  -0.413   2.234
  171   3HD1  LEU  23          HD12      LEU  23   1.630  -1.122   2.835
  172   1HD2  LEU  23          HD23      LEU  23   3.229   2.422   3.306
  173   2HD2  LEU  23          HD22      LEU  23   3.877   1.725   4.790
  174   3HD2  LEU  23          HD21      LEU  23   4.276   1.004   3.230
  175    H    CYS  24           HN       CYS  24  -0.448   3.275   6.604
  176    HA   CYS  24           HA       CYS  24  -3.261   2.468   6.574
  177   1HB   CYS  24           HB2      CYS  24  -2.559   3.954   8.369
  178   2HB   CYS  24           HB1      CYS  24  -1.854   5.062   7.214
  179    H    GLY  25           HN       GLY  25  -4.699   2.977   4.897
  180   1HA   GLY  25           HA2      GLY  25  -3.497   4.103   2.526
  181   2HA   GLY  25           HA1      GLY  25  -5.105   3.609   2.636
  182    H    SER  26           HN       SER  26  -5.632   5.652   1.478
  183    HA   SER  26           HA       SER  26  -5.301   8.129   3.049
  184   1HB   SER  26           HB2      SER  26  -6.917   8.839   1.014
  185   2HB   SER  26           HB1      SER  26  -5.180   8.717   0.833
  186    HG   SER  26           HG       SER  26  -7.238   7.048  -0.039
  187    H    ASP  27           HN       ASP  27  -7.786   5.783   2.205
  188    HA   ASP  27           HA       ASP  27 -10.079   7.182   3.129
  189   1HB   ASP  27           HB2      ASP  27 -10.821   4.715   3.761
  190   2HB   ASP  27           HB1      ASP  27 -10.648   5.186   2.071
  191    H    ASN  28           HN       ASN  28  -7.367   5.952   4.804
  192    HA   ASN  28           HA       ASN  28  -6.816   6.533   7.051
  193   1HB   ASN  28           HB2      ASN  28  -8.969   7.935   7.099
  194   2HB   ASN  28           HB1      ASN  28  -9.755   6.491   7.739
  195   1HD2  ASN  28          HD22      ASN  28  -8.784   7.809  10.904
  196   2HD2  ASN  28          HD21      ASN  28 -10.082   7.591   9.831
  197    H    LYS  29           HN       LYS  29  -7.526   3.893   5.690
  198    HA   LYS  29           HA       LYS  29  -8.042   2.334   8.183
  199   1HB   LYS  29           HB2      LYS  29  -7.985   0.897   5.577
  200   2HB   LYS  29           HB1      LYS  29  -9.055   0.703   6.960
  201   1HG   LYS  29           HG2      LYS  29 -10.040   2.971   6.329
  202   2HG   LYS  29           HG1      LYS  29  -9.217   2.770   4.787
  203   1HD   LYS  29           HD2      LYS  29 -11.127   0.734   5.961
  204   2HD   LYS  29           HD1      LYS  29 -11.589   1.940   4.761
  205   1HE   LYS  29           HE2      LYS  29 -11.035   0.261   3.302
  206   2HE   LYS  29           HE1      LYS  29  -9.415   0.917   3.535
  207   1HZ   LYS  29           HZ1      LYS  29 -10.553  -1.244   5.218
  208   2HZ   LYS  29           HZ3      LYS  29  -9.617  -1.539   3.834
  209   3HZ   LYS  29           HZ2      LYS  29  -8.938  -0.717   5.158
  210    H    THR  30           HN       THR  30  -6.929  -0.078   7.162
  211    HA   THR  30           HA       THR  30  -4.029   0.652   6.969
  212    HB   THR  30           HB       THR  30  -5.341  -1.436   8.731
  213    HG1  THR  30           HG1      THR  30  -5.006   0.889   9.322
  214   1HG2  THR  30          HG22      THR  30  -2.425  -1.032   8.016
  215   2HG2  THR  30          HG21      THR  30  -2.970  -1.990   9.393
  216   3HG2  THR  30          HG23      THR  30  -3.396  -2.481   7.753
  217    H    TYR  31           HN       TYR  31  -2.699  -1.048   6.014
  218    HA   TYR  31           HA       TYR  31  -4.215  -3.100   4.487
  219   1HB   TYR  31           HB2      TYR  31  -2.657  -0.860   3.370
  220   2HB   TYR  31           HB1      TYR  31  -2.117  -2.431   2.814
  221    HD1  TYR  31           HD2      TYR  31  -4.148  -4.116   2.260
  222    HD2  TYR  31           HD1      TYR  31  -4.380   0.164   2.196
  223    HE1  TYR  31           HE2      TYR  31  -6.116  -4.255   0.759
  224    HE2  TYR  31           HE1      TYR  31  -6.354   0.034   0.699
  225    HH   TYR  31           HH       TYR  31  -7.859  -1.321  -0.244
  226    H    GLY  32           HN       GLY  32  -3.202  -5.100   4.591
  227   1HA   GLY  32           HA2      GLY  32  -1.510  -5.827   6.567
  228   2HA   GLY  32           HA1      GLY  32  -1.445  -6.660   5.026
  229    H    ASN  33           HN       ASN  33  -0.345  -4.793   3.351
  230    HA   ASN  33           HA       ASN  33   1.903  -3.506   4.605
  231   1HB   ASN  33           HB2      ASN  33   3.698  -4.894   3.648
  232   2HB   ASN  33           HB1      ASN  33   2.702  -5.811   4.763
  233   1HD2  ASN  33          HD22      ASN  33   2.860  -8.154   2.047
  234   2HD2  ASN  33          HD21      ASN  33   3.670  -7.681   3.456
  235    H    LYS  34           HN       LYS  34   3.643  -3.629   2.314
  236    HA   LYS  34           HA       LYS  34   2.520  -1.486   0.861
  237   1HB   LYS  34           HB2      LYS  34   4.470  -2.015  -0.756
  238   2HB   LYS  34           HB1      LYS  34   4.856  -1.553   0.899
  239   1HG   LYS  34           HG2      LYS  34   5.542  -3.669   1.487
  240   2HG   LYS  34           HG1      LYS  34   4.434  -4.465   0.365
  241   1HD   LYS  34           HD2      LYS  34   6.104  -3.054  -1.331
  242   2HD   LYS  34           HD1      LYS  34   7.205  -3.570  -0.053
  243   1HE   LYS  34           HE2      LYS  34   5.981  -5.887  -0.349
  244   2HE   LYS  34           HE1      LYS  34   5.577  -5.241  -1.939
  245   1HZ   LYS  34           HZ2      LYS  34   8.345  -5.027  -0.997
  246   2HZ   LYS  34           HZ1      LYS  34   7.794  -6.538  -1.544
  247   3HZ   LYS  34           HZ3      LYS  34   7.752  -5.196  -2.581
  248    H    CYS  35           HN       CYS  35   2.692  -4.944  -0.024
  249    HA   CYS  35           HA       CYS  35   1.776  -4.552  -2.679
  250   1HB   CYS  35           HB2      CYS  35   1.174  -6.996  -1.032
  251   2HB   CYS  35           HB1      CYS  35   1.481  -6.885  -2.757
  252    H    ASN  36           HN       ASN  36  -0.083  -5.664   0.180
  253    HA   ASN  36           HA       ASN  36  -2.594  -5.541  -1.140
  254   1HB   ASN  36           HB2      ASN  36  -1.946  -5.265   1.804
  255   2HB   ASN  36           HB1      ASN  36  -3.574  -5.459   1.152
  256   1HD2  ASN  36          HD22      ASN  36  -0.999  -8.638   1.052
  257   2HD2  ASN  36          HD21      ASN  36  -0.406  -7.078   1.344
  258    H    PHE  37           HN       PHE  37  -0.715  -3.009   0.478
  259    HA   PHE  37           HA       PHE  37  -2.783  -1.039   0.677
  260   1HB   PHE  37           HB2      PHE  37  -0.653  -0.617   1.734
  261   2HB   PHE  37           HB1      PHE  37   0.184  -0.741   0.349
  262    HD1  PHE  37           HD1      PHE  37  -2.963   1.073   0.949
  263    HD2  PHE  37           HD2      PHE  37   1.170   1.286  -0.118
  264    HE1  PHE  37           HE1      PHE  37  -3.238   3.496   0.390
  265    HE2  PHE  37           HE2      PHE  37   0.915   3.688  -0.684
  266    HZ   PHE  37           HZ       PHE  37  -1.297   4.783  -0.442
  267    H    CYS  38           HN       CYS  38  -0.231  -1.316  -1.690
  268    HA   CYS  38           HA       CYS  38  -1.157   0.611  -3.520
  269   1HB   CYS  38           HB2      CYS  38   1.055  -0.106  -3.862
  270   2HB   CYS  38           HB1      CYS  38   0.609  -1.810  -3.821
  271    H    ASN  39           HN       ASN  39  -1.732  -2.940  -3.599
  272    HA   ASN  39           HA       ASN  39  -3.192  -3.187  -5.909
  273   1HB   ASN  39           HB2      ASN  39  -3.331  -4.436  -3.219
  274   2HB   ASN  39           HB1      ASN  39  -4.762  -4.628  -4.214
  275   1HD2  ASN  39          HD22      ASN  39  -1.769  -7.051  -4.930
  276   2HD2  ASN  39          HD21      ASN  39  -2.084  -6.278  -3.457
  277    H    ALA  40           HN       ALA  40  -4.082  -1.540  -2.968
  278    HA   ALA  40           HA       ALA  40  -6.841  -1.036  -3.748
  279   1HB   ALA  40           HB2      ALA  40  -5.796  -1.031  -1.360
  280   2HB   ALA  40           HB1      ALA  40  -5.221   0.584  -1.768
  281   3HB   ALA  40           HB3      ALA  40  -6.952   0.245  -1.741
  282    H    VAL  41           HN       VAL  41  -3.834   0.859  -3.624
  283    HA   VAL  41           HA       VAL  41  -4.831   3.243  -4.824
  284    HB   VAL  41           HB       VAL  41  -2.065   2.011  -4.947
  285   1HG1  VAL  41          HG11      VAL  41  -2.781   3.944  -6.587
  286   2HG1  VAL  41          HG13      VAL  41  -2.632   4.951  -5.146
  287   3HG1  VAL  41          HG12      VAL  41  -1.240   4.041  -5.735
  288   1HG2  VAL  41          HG21      VAL  41  -2.964   2.392  -2.658
  289   2HG2  VAL  41          HG23      VAL  41  -1.585   3.429  -3.019
  290   3HG2  VAL  41          HG22      VAL  41  -3.220   4.089  -3.068
  291    H    VAL  42           HN       VAL  42  -2.799   0.760  -6.417
  292    HA   VAL  42           HA       VAL  42  -3.170   1.648  -9.028
  293    HB   VAL  42           HB       VAL  42  -1.447   0.058  -8.373
  294   1HG1  VAL  42          HG12      VAL  42  -3.579  -1.287  -7.117
  295   2HG1  VAL  42          HG11      VAL  42  -2.958  -2.374  -8.360
  296   3HG1  VAL  42          HG13      VAL  42  -1.875  -1.735  -7.125
  297   1HG2  VAL  42          HG23      VAL  42  -2.770   0.073 -10.706
  298   2HG2  VAL  42          HG22      VAL  42  -1.398  -0.988 -10.386
  299   3HG2  VAL  42          HG21      VAL  42  -3.043  -1.602 -10.223
  300    H    GLU  43           HN       GLU  43  -5.444  -0.272  -7.075
  301    HA   GLU  43           HA       GLU  43  -6.984  -0.877  -9.539
  302   1HB   GLU  43           HB2      GLU  43  -6.713  -2.304  -7.226
  303   2HB   GLU  43           HB1      GLU  43  -8.219  -1.455  -6.919
  304   1HG   GLU  43           HG2      GLU  43  -8.560  -2.247  -9.513
  305   2HG   GLU  43           HG1      GLU  43  -7.631  -3.592  -8.848
  306    H    SER  44           HN       SER  44  -6.745   1.500  -7.112
  307    HA   SER  44           HA       SER  44  -9.520   2.439  -7.564
  308   1HB   SER  44           HB2      SER  44  -8.965   2.468  -5.258
  309   2HB   SER  44           HB1      SER  44  -7.373   3.151  -5.568
  310    HG   SER  44           HG       SER  44  -8.419   4.937  -5.101
  311    H    ASN  45           HN       ASN  45  -7.145   2.663  -9.515
  312    HA   ASN  45           HA       ASN  45  -6.449   4.234 -11.095
  313   1HB   ASN  45           HB2      ASN  45  -8.734   5.779  -9.848
  314   2HB   ASN  45           HB1      ASN  45  -7.808   6.355 -11.227
  315   1HD2  ASN  45          HD22      ASN  45 -10.837   3.965 -12.002
  316   2HD2  ASN  45          HD21      ASN  45 -10.683   4.974 -10.644
  317    H    GLY  46           HN       GLY  46  -5.848   4.373  -7.969
  318   1HA   GLY  46           HA2      GLY  46  -4.108   5.407  -6.809
  319   2HA   GLY  46           HA1      GLY  46  -3.757   6.373  -8.231
  320    H    THR  47           HN       THR  47  -7.039   6.510  -7.318
  321    HA   THR  47           HA       THR  47  -6.730   9.298  -6.460
  322    HB   THR  47           HB       THR  47  -9.149   9.337  -6.379
  323    HG1  THR  47           HG1      THR  47  -9.897   7.567  -5.503
  324   1HG2  THR  47          HG23      THR  47  -7.781   7.995  -8.641
  325   2HG2  THR  47          HG22      THR  47  -9.543   7.903  -8.637
  326   3HG2  THR  47          HG21      THR  47  -8.742   9.474  -8.622
  327    H    LEU  48           HN       LEU  48  -6.371   6.342  -4.983
  328    HA   LEU  48           HA       LEU  48  -7.574   6.922  -2.417
  329   1HB   LEU  48           HB2      LEU  48  -7.467   4.640  -2.958
  330   2HB   LEU  48           HB1      LEU  48  -5.845   4.778  -3.623
  331    HG   LEU  48           HG       LEU  48  -5.267   5.419  -1.097
  332   1HD1  LEU  48          HD11      LEU  48  -7.751   5.243  -0.567
  333   2HD1  LEU  48          HD13      LEU  48  -7.544   3.501  -0.746
  334   3HD1  LEU  48          HD12      LEU  48  -6.644   4.373   0.496
  335   1HD2  LEU  48          HD22      LEU  48  -5.113   3.120  -2.742
  336   2HD2  LEU  48          HD21      LEU  48  -4.122   3.498  -1.333
  337   3HD2  LEU  48          HD23      LEU  48  -5.608   2.568  -1.142
  338    H    THR  49           HN       THR  49  -4.260   5.889  -2.775
  339    HA   THR  49           HA       THR  49  -2.236   6.884  -2.144
  340    HB   THR  49           HB       THR  49  -2.048   9.152  -1.912
  341    HG1  THR  49           HG1      THR  49  -4.150  10.283  -1.156
  342   1HG2  THR  49          HG23      THR  49  -3.903   8.334  -3.800
  343   2HG2  THR  49          HG22      THR  49  -4.669   9.717  -3.020
  344   3HG2  THR  49          HG21      THR  49  -3.078   9.892  -3.760
  345    H    LEU  50           HN       LEU  50  -1.301   7.564   0.066
  346    HA   LEU  50           HA       LEU  50  -3.075   6.460   2.169
  347   1HB   LEU  50           HB2      LEU  50  -1.494   4.881   2.482
  348   2HB   LEU  50           HB1      LEU  50  -0.636   5.533   1.110
  349    HG   LEU  50           HG       LEU  50  -0.025   7.082   3.495
  350   1HD1  LEU  50          HD13      LEU  50  -0.089   4.130   3.601
  351   2HD1  LEU  50          HD12      LEU  50   1.359   4.918   4.230
  352   3HD1  LEU  50          HD11      LEU  50  -0.225   5.309   4.903
  353   1HD2  LEU  50          HD21      LEU  50   1.276   5.734   1.207
  354   2HD2  LEU  50          HD23      LEU  50   1.662   7.281   1.963
  355   3HD2  LEU  50          HD22      LEU  50   2.242   5.779   2.683
  356    H    SER  51           HN       SER  51  -1.974   7.064   4.475
  357    HA   SER  51           HA       SER  51  -1.527  10.022   4.366
  358   1HB   SER  51           HB2      SER  51  -3.560   8.668   5.781
  359   2HB   SER  51           HB1      SER  51  -2.310   8.932   6.935
  360    HG   SER  51           HG       SER  51  -2.450  11.076   6.676
  361    H    HIS  52           HN       HIS  52  -0.676   6.958   5.911
  362    HA   HIS  52           HA       HIS  52   2.050   7.890   6.382
  363   1HB   HIS  52           HB2      HIS  52   1.991   7.686   8.809
  364   2HB   HIS  52           HB1      HIS  52   0.797   8.874   8.296
  365    HD1  HIS  52           HD1      HIS  52   0.994   6.347  10.660
  366    HD2  HIS  52           HD2      HIS  52  -1.799   7.045   7.628
  367    HE1  HIS  52           HE1      HIS  52  -1.087   5.041  11.271
  368    H    PHE  53           HN       PHE  53   3.415   6.183   6.972
  369    HA   PHE  53           HA       PHE  53   2.674   3.568   6.073
  370   1HB   PHE  53           HB2      PHE  53   5.008   4.634   7.665
  371   2HB   PHE  53           HB1      PHE  53   4.840   2.910   7.341
  372    HD1  PHE  53           HD2      PHE  53   4.566   6.174   5.485
  373    HD2  PHE  53           HD1      PHE  53   5.872   2.080   5.429
  374    HE1  PHE  53           HE2      PHE  53   5.505   6.504   3.212
  375    HE2  PHE  53           HE1      PHE  53   6.813   2.412   3.159
  376    HZ   PHE  53           HZ       PHE  53   6.631   4.625   2.053
  377    H    GLY  54           HN       GLY  54   3.344   1.681   7.831
  378   1HA   GLY  54           HA2      GLY  54   2.674   0.490   9.727
  379   2HA   GLY  54           HA1      GLY  54   2.418   2.009  10.520
  380    H    LYS  55           HN       LYS  55   0.563   0.724  11.406
  381    HA   LYS  55           HA       LYS  55  -1.759   0.532   9.578
  382   1HB   LYS  55           HB2      LYS  55  -2.145   0.010  12.466
  383   2HB   LYS  55           HB1      LYS  55  -2.650  -0.947  11.075
  384   1HG   LYS  55           HG2      LYS  55  -0.217  -1.612  10.784
  385   2HG   LYS  55           HG1      LYS  55   0.098  -0.854  12.345
  386   1HD   LYS  55           HD2      LYS  55  -1.908  -3.077  11.868
  387   2HD   LYS  55           HD1      LYS  55  -0.306  -3.294  12.571
  388   1HE   LYS  55           HE2      LYS  55  -1.732  -1.161  13.920
  389   2HE   LYS  55           HE1      LYS  55  -2.671  -2.654  13.948
  390   1HZ   LYS  55           HZ3      LYS  55  -0.540  -3.766  14.664
  391   2HZ   LYS  55           HZ2      LYS  55   0.085  -2.210  14.934
  392   3HZ   LYS  55           HZ1      LYS  55  -1.269  -2.747  15.807
  393    H    CYS  56           HN       CYS  56  -3.425   2.031   9.615
  394    HA   CYS  56           HA       CYS  56  -3.065   4.583  10.795
  395   1HB   CYS  56           HB2      CYS  56  -5.028   3.295   9.174
  396   2HB   CYS  56           HB1      CYS  56  -5.867   4.059  10.526
   
  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  14.020   8.121   4.870
    2   2H    LEU   1           HT1      LEU   1  15.169   7.173   4.052
    3   3H    LEU   1           HT3      LEU   1  13.579   7.267   3.468
    4    HA   LEU   1           HA       LEU   1  13.742   5.190   4.539
    5   1HB   LEU   1           HB2      LEU   1  14.495   5.121   6.953
    6   2HB   LEU   1           HB1      LEU   1  15.768   5.532   5.804
    7    HG   LEU   1           HG       LEU   1  14.303   7.885   6.743
    8   1HD1  LEU   1          HD12      LEU   1  14.989   5.872   8.686
    9   2HD1  LEU   1          HD11      LEU   1  16.018   7.285   8.923
   10   3HD1  LEU   1          HD13      LEU   1  14.262   7.457   8.954
   11   1HD2  LEU   1          HD21      LEU   1  17.179   6.972   6.552
   12   2HD2  LEU   1          HD23      LEU   1  16.360   8.205   5.593
   13   3HD2  LEU   1          HD22      LEU   1  16.747   8.517   7.284
   14    H    ALA   2           HN       ALA   2  11.784   7.348   4.232
   15    HA   ALA   2           HA       ALA   2   9.836   6.392   6.182
   16   1HB   ALA   2           HB2      ALA   2  10.799   9.265   6.275
   17   2HB   ALA   2           HB1      ALA   2   9.323   8.695   7.053
   18   3HB   ALA   2           HB3      ALA   2  10.890   8.075   7.574
   19    H    ALA   3           HN       ALA   3   9.633   9.627   4.848
   20    HA   ALA   3           HA       ALA   3   8.193  10.510   3.219
   21   1HB   ALA   3           HB3      ALA   3   9.497   8.199   2.070
   22   2HB   ALA   3           HB2      ALA   3   7.861   8.352   1.429
   23   3HB   ALA   3           HB1      ALA   3   8.996   9.694   1.280
   24    H    VAL   4           HN       VAL   4   6.036   9.895   1.983
   25    HA   VAL   4           HA       VAL   4   4.443   7.934   3.547
   26    HB   VAL   4           HB       VAL   4   2.596   9.718   3.648
   27   1HG1  VAL   4          HG12      VAL   4   4.133   8.914   5.551
   28   2HG1  VAL   4          HG11      VAL   4   5.044  10.401   5.283
   29   3HG1  VAL   4          HG13      VAL   4   3.349  10.479   5.769
   30   1HG2  VAL   4          HG21      VAL   4   4.516  11.153   2.185
   31   2HG2  VAL   4          HG23      VAL   4   3.024  11.794   2.876
   32   3HG2  VAL   4          HG22      VAL   4   4.529  11.882   3.791
   33    H    SER   5           HN       SER   5   4.815   6.914   1.336
   34    HA   SER   5           HA       SER   5   2.469   6.961  -0.224
   35   1HB   SER   5           HB2      SER   5   2.752   8.971  -1.279
   36   2HB   SER   5           HB1      SER   5   4.484   9.006  -0.966
   37    HG   SER   5           HG       SER   5   3.431   8.517  -3.225
   38    H    VAL   6           HN       VAL   6   2.519   4.986  -1.169
   39    HA   VAL   6           HA       VAL   6   5.165   3.720  -1.640
   40    HB   VAL   6           HB       VAL   6   2.374   2.533  -1.605
   41   1HG1  VAL   6          HG12      VAL   6   5.114   1.227  -1.722
   42   2HG1  VAL   6          HG11      VAL   6   3.586   0.367  -1.536
   43   3HG1  VAL   6          HG13      VAL   6   3.925   1.251  -3.024
   44   1HG2  VAL   6          HG21      VAL   6   4.588   2.751   0.436
   45   2HG2  VAL   6          HG23      VAL   6   2.883   3.162   0.618
   46   3HG2  VAL   6          HG22      VAL   6   3.378   1.471   0.534
   47    H    ASP   7           HN       ASP   7   5.614   2.689  -3.688
   48    HA   ASP   7           HA       ASP   7   4.487   4.134  -5.965
   49   1HB   ASP   7           HB2      ASP   7   6.193   3.070  -7.252
   50   2HB   ASP   7           HB1      ASP   7   6.929   3.429  -5.693
   51    H    CYS   8           HN       CYS   8   4.183   2.453  -8.003
   52    HA   CYS   8           HA       CYS   8   2.677   0.057  -7.231
   53   1HB   CYS   8           HB2      CYS   8   1.358   2.587  -8.161
   54   2HB   CYS   8           HB1      CYS   8   0.677   1.032  -8.628
   55    H    SER   9           HN       SER   9   4.946   0.148  -8.768
   56    HA   SER   9           HA       SER   9   4.131   0.219 -11.607
   57   1HB   SER   9           HB2      SER   9   6.737  -0.014 -10.145
   58   2HB   SER   9           HB1      SER   9   6.641  -0.573 -11.812
   59    HG   SER   9           HG       SER   9   5.968   1.472 -12.421
   60    H    GLU  10           HN       GLU  10   4.009  -2.038  -9.134
   61    HA   GLU  10           HA       GLU  10   4.041  -4.249 -11.134
   62   1HB   GLU  10           HB2      GLU  10   5.141  -4.389  -8.314
   63   2HB   GLU  10           HB1      GLU  10   5.105  -5.704  -9.482
   64   1HG   GLU  10           HG2      GLU  10   7.206  -4.985  -9.994
   65   2HG   GLU  10           HG1      GLU  10   6.349  -3.771 -10.945
   66    H    TYR  11           HN       TYR  11   1.641  -3.047 -10.430
   67    HA   TYR  11           HA       TYR  11   0.405  -5.198  -8.871
   68   1HB   TYR  11           HB2      TYR  11   0.018  -2.246  -8.328
   69   2HB   TYR  11           HB1      TYR  11  -0.945  -3.538  -7.601
   70    HD1  TYR  11           HD1      TYR  11   0.104  -5.197  -6.081
   71    HD2  TYR  11           HD2      TYR  11   2.312  -1.863  -7.644
   72    HE1  TYR  11           HE1      TYR  11   1.891  -5.587  -4.404
   73    HE2  TYR  11           HE2      TYR  11   4.093  -2.251  -5.968
   74    HH   TYR  11           HH       TYR  11   4.592  -4.941  -4.412
   75    HA   PRO  12           HA       PRO  12  -1.724  -5.202  -8.047
   76   1HB   PRO  12           HB2      PRO  12  -3.442  -7.267  -8.678
   77   2HB   PRO  12           HB1      PRO  12  -3.985  -5.611  -8.348
   78   1HG   PRO  12           HG2      PRO  12  -3.726  -7.017 -10.978
   79   2HG   PRO  12           HG1      PRO  12  -4.852  -5.737 -10.498
   80   1HD   PRO  12           HD2      PRO  12  -2.525  -5.340 -12.018
   81   2HD   PRO  12           HD1      PRO  12  -3.429  -4.097 -11.210
   82    H    LYS  13           HN       LYS  13  -0.449  -6.763  -7.136
   83    HA   LYS  13           HA       LYS  13   1.139  -8.490  -8.906
   84   1HB   LYS  13           HB2      LYS  13   1.491  -7.263  -6.366
   85   2HB   LYS  13           HB1      LYS  13   1.585  -9.005  -6.116
   86   1HG   LYS  13           HG2      LYS  13   3.312  -9.217  -7.799
   87   2HG   LYS  13           HG1      LYS  13   3.129  -7.524  -8.258
   88   1HD   LYS  13           HD2      LYS  13   3.641  -7.090  -5.707
   89   2HD   LYS  13           HD1      LYS  13   4.374  -8.692  -5.793
   90   1HE   LYS  13           HE2      LYS  13   5.893  -8.003  -7.514
   91   2HE   LYS  13           HE1      LYS  13   5.026  -6.487  -7.759
   92   1HZ   LYS  13           HZ3      LYS  13   5.929  -6.938  -5.053
   93   2HZ   LYS  13           HZ2      LYS  13   7.180  -6.765  -6.189
   94   3HZ   LYS  13           HZ1      LYS  13   6.017  -5.540  -6.009
   95    HA   PRO  14           HA       PRO  14  -1.370 -12.062  -8.191
   96   1HB   PRO  14           HB2      PRO  14   0.440 -13.930  -9.074
   97   2HB   PRO  14           HB1      PRO  14  -0.496 -12.884 -10.156
   98   1HG   PRO  14           HG2      PRO  14   2.386 -12.715  -9.411
   99   2HG   PRO  14           HG1      PRO  14   1.574 -12.155 -10.881
  100   1HD   PRO  14           HD2      PRO  14   2.396 -10.525  -8.743
  101   2HD   PRO  14           HD1      PRO  14   1.276 -10.058 -10.009
  102    H    ALA  15           HN       ALA  15   0.877 -11.079  -6.164
  103    HA   ALA  15           HA       ALA  15   0.383 -13.074  -4.167
  104   1HB   ALA  15           HB1      ALA  15   2.521 -13.672  -5.975
  105   2HB   ALA  15           HB3      ALA  15   3.222 -13.288  -4.403
  106   3HB   ALA  15           HB2      ALA  15   2.021 -14.571  -4.543
  107    H    CYS  16           HN       CYS  16   0.595 -11.995  -2.257
  108    HA   CYS  16           HA       CYS  16   2.028  -9.409  -2.279
  109   1HB   CYS  16           HB2      CYS  16   0.273 -10.693  -0.161
  110   2HB   CYS  16           HB1      CYS  16   0.956  -9.072  -0.069
  111    H    THR  17           HN       THR  17   3.864  -8.997  -1.085
  112    HA   THR  17           HA       THR  17   5.669 -11.032  -0.420
  113    HB   THR  17           HB       THR  17   6.388  -9.134   1.383
  114    HG1  THR  17           HG1      THR  17   4.899  -7.643   1.187
  115   1HG2  THR  17          HG23      THR  17   6.855  -9.623  -1.479
  116   2HG2  THR  17          HG22      THR  17   7.225  -7.977  -0.966
  117   3HG2  THR  17          HG21      THR  17   8.016  -9.344  -0.180
  118    H    LEU  18           HN       LEU  18   6.436 -11.386   2.012
  119    HA   LEU  18           HA       LEU  18   3.954 -11.982   3.549
  120   1HB   LEU  18           HB2      LEU  18   5.905 -13.564   4.688
  121   2HB   LEU  18           HB1      LEU  18   4.758 -14.097   3.465
  122    HG   LEU  18           HG       LEU  18   6.468 -13.254   1.732
  123   1HD1  LEU  18          HD13      LEU  18   8.086 -13.201   4.284
  124   2HD1  LEU  18          HD12      LEU  18   8.844 -13.406   2.706
  125   3HD1  LEU  18          HD11      LEU  18   7.935 -11.937   3.064
  126   1HD2  LEU  18          HD22      LEU  18   5.996 -15.666   2.397
  127   2HD2  LEU  18          HD21      LEU  18   7.607 -15.368   1.743
  128   3HD2  LEU  18          HD23      LEU  18   7.381 -15.550   3.483
  129    H    GLU  19           HN       GLU  19   6.889 -10.191   3.580
  130    HA   GLU  19           HA       GLU  19   7.425 -10.017   6.351
  131   1HB   GLU  19           HB2      GLU  19   7.923  -8.336   3.958
  132   2HB   GLU  19           HB1      GLU  19   7.914  -7.474   5.498
  133   1HG   GLU  19           HG2      GLU  19  10.178  -8.262   4.978
  134   2HG   GLU  19           HG1      GLU  19   9.555  -9.096   6.401
  135    H    TYR  20           HN       TYR  20   6.986  -7.456   7.158
  136    HA   TYR  20           HA       TYR  20   4.086  -6.981   6.793
  137   1HB   TYR  20           HB2      TYR  20   4.405  -8.403   8.828
  138   2HB   TYR  20           HB1      TYR  20   5.290  -7.065   9.561
  139    HD1  TYR  20           HD2      TYR  20   2.288  -7.117   7.326
  140    HD2  TYR  20           HD1      TYR  20   3.870  -6.107  11.192
  141    HE1  TYR  20           HE2      TYR  20   0.138  -6.038   7.917
  142    HE2  TYR  20           HE1      TYR  20   1.716  -5.026  11.787
  143    HH   TYR  20           HH       TYR  20  -0.241  -4.226  10.920
  144    H    ARG  21           HN       ARG  21   3.739  -4.997   6.388
  145    HA   ARG  21           HA       ARG  21   5.000  -2.777   7.799
  146   1HB   ARG  21           HB2      ARG  21   5.343  -2.761   4.802
  147   2HB   ARG  21           HB1      ARG  21   6.189  -1.801   6.015
  148   1HG   ARG  21           HG2      ARG  21   7.354  -3.824   6.815
  149   2HG   ARG  21           HG1      ARG  21   6.509  -4.792   5.606
  150   1HD   ARG  21           HD2      ARG  21   7.916  -4.140   3.963
  151   2HD   ARG  21           HD1      ARG  21   7.820  -2.447   4.450
  152    HE   ARG  21           HE       ARG  21   9.536  -4.323   6.006
  153   1HH1  ARG  21          HH21      ARG  21   9.668  -1.517   6.776
  154   2HH1  ARG  21          HH22      ARG  21  10.982  -0.896   5.833
  155   1HH2  ARG  21          HH11      ARG  21  10.977  -3.541   3.594
  156   2HH2  ARG  21          HH12      ARG  21  11.723  -2.042   4.035
  157    HA   PRO  22           HA       PRO  22   0.640  -2.466   6.437
  158   1HB   PRO  22           HB2      PRO  22  -0.150  -1.179   8.758
  159   2HB   PRO  22           HB1      PRO  22  -0.146  -2.944   8.529
  160   1HG   PRO  22           HG2      PRO  22   1.808  -1.219  10.010
  161   2HG   PRO  22           HG1      PRO  22   1.317  -2.892  10.334
  162   1HD   PRO  22           HD2      PRO  22   3.712  -2.190   9.115
  163   2HD   PRO  22           HD1      PRO  22   2.921  -3.770   8.923
  164    H    LEU  23           HN       LEU  23   0.071  -0.811   5.097
  165    HA   LEU  23           HA       LEU  23   1.113   1.895   5.820
  166   1HB   LEU  23           HB2      LEU  23   0.138   1.057   3.088
  167   2HB   LEU  23           HB1      LEU  23   1.199   2.404   3.509
  168    HG   LEU  23           HG       LEU  23   2.203  -0.235   4.358
  169   1HD1  LEU  23          HD13      LEU  23   1.585   0.394   1.495
  170   2HD1  LEU  23          HD12      LEU  23   3.025  -0.543   1.896
  171   3HD1  LEU  23          HD11      LEU  23   1.430  -1.135   2.360
  172   1HD2  LEU  23          HD22      LEU  23   3.157   2.379   3.540
  173   2HD2  LEU  23          HD21      LEU  23   3.991   1.123   4.455
  174   3HD2  LEU  23          HD23      LEU  23   4.019   1.094   2.692
  175    H    CYS  24           HN       CYS  24  -0.403   3.383   6.354
  176    HA   CYS  24           HA       CYS  24  -3.232   2.640   6.367
  177   1HB   CYS  24           HB2      CYS  24  -2.556   3.976   8.225
  178   2HB   CYS  24           HB1      CYS  24  -1.660   5.065   7.196
  179    H    GLY  25           HN       GLY  25  -4.753   3.303   4.841
  180   1HA   GLY  25           HA2      GLY  25  -3.697   4.562   2.445
  181   2HA   GLY  25           HA1      GLY  25  -5.291   4.042   2.638
  182    H    SER  26           HN       SER  26  -5.850   6.240   1.645
  183    HA   SER  26           HA       SER  26  -5.461   8.497   3.511
  184   1HB   SER  26           HB2      SER  26  -5.280   8.931   1.098
  185   2HB   SER  26           HB1      SER  26  -6.921   8.350   0.852
  186    HG   SER  26           HG       SER  26  -7.680  10.159   1.647
  187    H    ASP  27           HN       ASP  27  -7.939   6.240   2.508
  188    HA   ASP  27           HA       ASP  27 -10.213   7.608   3.584
  189   1HB   ASP  27           HB2      ASP  27 -11.082   5.157   3.827
  190   2HB   ASP  27           HB1      ASP  27 -10.749   5.776   2.210
  191    H    ASN  28           HN       ASN  28  -7.510   6.186   5.078
  192    HA   ASN  28           HA       ASN  28  -6.985   6.441   7.397
  193   1HB   ASN  28           HB2      ASN  28  -9.165   7.768   7.644
  194   2HB   ASN  28           HB1      ASN  28  -9.931   6.228   8.032
  195   1HD2  ASN  28          HD22      ASN  28  -6.948   7.403  10.619
  196   2HD2  ASN  28          HD21      ASN  28  -6.716   7.597   8.949
  197    H    LYS  29           HN       LYS  29  -7.722   4.006   5.638
  198    HA   LYS  29           HA       LYS  29  -8.259   2.082   7.825
  199   1HB   LYS  29           HB2      LYS  29  -7.886   1.141   4.993
  200   2HB   LYS  29           HB1      LYS  29  -8.868   0.494   6.276
  201   1HG   LYS  29           HG2      LYS  29  -9.593   2.502   4.250
  202   2HG   LYS  29           HG1      LYS  29 -10.568   1.362   5.118
  203   1HD   LYS  29           HD2      LYS  29  -9.914   3.079   7.142
  204   2HD   LYS  29           HD1      LYS  29 -10.054   4.168   5.761
  205   1HE   LYS  29           HE2      LYS  29 -12.197   2.264   5.654
  206   2HE   LYS  29           HE1      LYS  29 -12.155   2.978   7.265
  207   1HZ   LYS  29           HZ3      LYS  29 -11.730   5.073   5.561
  208   2HZ   LYS  29           HZ2      LYS  29 -12.927   4.153   4.785
  209   3HZ   LYS  29           HZ1      LYS  29 -13.176   4.715   6.370
  210    H    THR  30           HN       THR  30  -6.896  -0.123   6.819
  211    HA   THR  30           HA       THR  30  -4.050   0.777   6.706
  212    HB   THR  30           HB       THR  30  -5.294  -1.218   8.617
  213    HG1  THR  30           HG1      THR  30  -5.073   0.488   9.800
  214   1HG2  THR  30          HG21      THR  30  -3.279  -2.204   7.501
  215   2HG2  THR  30          HG23      THR  30  -2.338  -0.823   8.064
  216   3HG2  THR  30          HG22      THR  30  -3.052  -1.937   9.229
  217    H    TYR  31           HN       TYR  31  -2.630  -0.887   5.805
  218    HA   TYR  31           HA       TYR  31  -4.065  -3.058   4.363
  219   1HB   TYR  31           HB2      TYR  31  -2.018  -1.128   3.201
  220   2HB   TYR  31           HB1      TYR  31  -2.395  -2.666   2.492
  221    HD1  TYR  31           HD2      TYR  31  -4.607  -3.137   1.515
  222    HD2  TYR  31           HD1      TYR  31  -3.662   0.678   3.247
  223    HE1  TYR  31           HE2      TYR  31  -6.620  -2.154   0.450
  224    HE2  TYR  31           HE1      TYR  31  -5.675   1.661   2.184
  225    HH   TYR  31           HH       TYR  31  -7.948  -0.358   0.340
  226    H    GLY  32           HN       GLY  32  -3.219  -4.970   4.961
  227   1HA   GLY  32           HA2      GLY  32  -1.422  -5.610   6.807
  228   2HA   GLY  32           HA1      GLY  32  -1.471  -6.573   5.345
  229    H    ASN  33           HN       ASN  33  -0.313  -4.980   3.457
  230    HA   ASN  33           HA       ASN  33   2.101  -3.747   4.511
  231   1HB   ASN  33           HB2      ASN  33   3.678  -5.285   3.377
  232   2HB   ASN  33           HB1      ASN  33   2.772  -6.091   4.646
  233   1HD2  ASN  33          HD22      ASN  33   2.539  -8.446   1.870
  234   2HD2  ASN  33          HD21      ASN  33   3.649  -7.948   3.051
  235    H    LYS  34           HN       LYS  34   3.633  -3.878   2.161
  236    HA   LYS  34           HA       LYS  34   2.478  -1.803   0.648
  237   1HB   LYS  34           HB2      LYS  34   4.296  -2.110  -0.895
  238   2HB   LYS  34           HB1      LYS  34   4.920  -2.489   0.709
  239   1HG   LYS  34           HG2      LYS  34   4.462  -4.915   0.260
  240   2HG   LYS  34           HG1      LYS  34   4.003  -4.477  -1.388
  241   1HD   LYS  34           HD2      LYS  34   6.571  -3.319  -0.612
  242   2HD   LYS  34           HD1      LYS  34   6.577  -5.083  -0.540
  243   1HE   LYS  34           HE2      LYS  34   5.701  -5.186  -2.840
  244   2HE   LYS  34           HE1      LYS  34   5.676  -3.427  -2.918
  245   1HZ   LYS  34           HZ2      LYS  34   8.138  -3.606  -2.317
  246   2HZ   LYS  34           HZ1      LYS  34   8.006  -5.235  -2.781
  247   3HZ   LYS  34           HZ3      LYS  34   7.680  -4.007  -3.904
  248    H    CYS  35           HN       CYS  35   2.591  -5.296  -0.173
  249    HA   CYS  35           HA       CYS  35   1.344  -5.115  -2.680
  250   1HB   CYS  35           HB2      CYS  35   2.206  -7.226  -1.753
  251   2HB   CYS  35           HB1      CYS  35   0.904  -7.240  -0.570
  252    H    ASN  36           HN       ASN  36  -0.244  -5.583   0.467
  253    HA   ASN  36           HA       ASN  36  -2.906  -5.431  -0.539
  254   1HB   ASN  36           HB2      ASN  36  -1.702  -4.985   2.188
  255   2HB   ASN  36           HB1      ASN  36  -3.433  -4.794   1.905
  256   1HD2  ASN  36          HD22      ASN  36  -1.777  -8.545   1.780
  257   2HD2  ASN  36          HD21      ASN  36  -0.770  -7.182   1.745
  258    H    PHE  37           HN       PHE  37  -0.660  -2.856   0.423
  259    HA   PHE  37           HA       PHE  37  -2.715  -0.807   0.493
  260   1HB   PHE  37           HB2      PHE  37  -0.563  -0.492   1.618
  261   2HB   PHE  37           HB1      PHE  37   0.269  -0.466   0.206
  262    HD1  PHE  37           HD1      PHE  37  -2.964   1.087   1.064
  263    HD2  PHE  37           HD2      PHE  37   1.055   1.613  -0.247
  264    HE1  PHE  37           HE1      PHE  37  -3.433   3.511   0.667
  265    HE2  PHE  37           HE2      PHE  37   0.624   4.027  -0.650
  266    HZ   PHE  37           HZ       PHE  37  -1.625   4.974  -0.191
  267    H    CYS  38           HN       CYS  38  -0.056  -1.280  -1.767
  268    HA   CYS  38           HA       CYS  38  -0.985   0.542  -3.710
  269   1HB   CYS  38           HB2      CYS  38   1.275  -0.288  -3.902
  270   2HB   CYS  38           HB1      CYS  38   0.702  -1.945  -4.114
  271    H    ASN  39           HN       ASN  39  -1.525  -3.025  -3.597
  272    HA   ASN  39           HA       ASN  39  -2.977  -3.378  -5.910
  273   1HB   ASN  39           HB2      ASN  39  -3.137  -4.520  -3.167
  274   2HB   ASN  39           HB1      ASN  39  -4.511  -4.812  -4.222
  275   1HD2  ASN  39          HD22      ASN  39  -1.519  -7.232  -4.698
  276   2HD2  ASN  39          HD21      ASN  39  -2.055  -6.515  -3.261
  277    H    ALA  40           HN       ALA  40  -3.889  -1.637  -3.026
  278    HA   ALA  40           HA       ALA  40  -6.641  -1.201  -3.910
  279   1HB   ALA  40           HB2      ALA  40  -4.948  -0.137  -1.639
  280   2HB   ALA  40           HB1      ALA  40  -6.550   0.516  -1.973
  281   3HB   ALA  40           HB3      ALA  40  -6.363  -1.184  -1.541
  282    H    VAL  41           HN       VAL  41  -3.612   0.656  -3.750
  283    HA   VAL  41           HA       VAL  41  -4.691   3.065  -4.901
  284    HB   VAL  41           HB       VAL  41  -1.856   1.973  -4.922
  285   1HG1  VAL  41          HG13      VAL  41  -2.907   4.094  -6.397
  286   2HG1  VAL  41          HG12      VAL  41  -2.198   4.871  -4.983
  287   3HG1  VAL  41          HG11      VAL  41  -1.204   3.842  -6.013
  288   1HG2  VAL  41          HG23      VAL  41  -3.528   3.419  -2.937
  289   2HG2  VAL  41          HG22      VAL  41  -2.182   2.310  -2.678
  290   3HG2  VAL  41          HG21      VAL  41  -1.870   3.989  -3.119
  291    H    VAL  42           HN       VAL  42  -2.448   0.726  -6.426
  292    HA   VAL  42           HA       VAL  42  -2.755   1.543  -9.047
  293    HB   VAL  42           HB       VAL  42  -1.123  -0.139  -8.101
  294   1HG1  VAL  42          HG13      VAL  42  -3.563  -1.597  -7.672
  295   2HG1  VAL  42          HG12      VAL  42  -2.515  -2.513  -8.754
  296   3HG1  VAL  42          HG11      VAL  42  -1.925  -2.010  -7.169
  297   1HG2  VAL  42          HG21      VAL  42  -2.611  -0.458 -10.673
  298   2HG2  VAL  42          HG23      VAL  42  -0.945   0.050 -10.397
  299   3HG2  VAL  42          HG22      VAL  42  -1.385  -1.651 -10.245
  300    H    GLU  43           HN       GLU  43  -5.063  -0.479  -7.178
  301    HA   GLU  43           HA       GLU  43  -6.565  -0.943  -9.701
  302   1HB   GLU  43           HB2      GLU  43  -6.298  -2.518  -7.452
  303   2HB   GLU  43           HB1      GLU  43  -7.852  -1.748  -7.188
  304   1HG   GLU  43           HG2      GLU  43  -8.037  -2.386  -9.832
  305   2HG   GLU  43           HG1      GLU  43  -7.063  -3.725  -9.223
  306    H    SER  44           HN       SER  44  -6.426   1.231  -7.083
  307    HA   SER  44           HA       SER  44  -9.211   2.149  -7.530
  308   1HB   SER  44           HB2      SER  44  -9.000   3.363  -5.457
  309   2HB   SER  44           HB1      SER  44  -8.340   1.755  -5.185
  310    HG   SER  44           HG       SER  44  -6.294   2.970  -5.970
  311    H    ASN  45           HN       ASN  45  -6.709   2.656  -9.285
  312    HA   ASN  45           HA       ASN  45  -5.807   4.402 -10.509
  313   1HB   ASN  45           HB2      ASN  45  -7.298   6.018 -11.317
  314   2HB   ASN  45           HB1      ASN  45  -8.309   4.621 -11.060
  315   1HD2  ASN  45          HD22      ASN  45  -8.905   8.009  -8.867
  316   2HD2  ASN  45          HD21      ASN  45  -7.572   7.884  -9.907
  317    H    GLY  46           HN       GLY  46  -5.269   4.364  -7.634
  318   1HA   GLY  46           HA2      GLY  46  -4.040   5.675  -6.150
  319   2HA   GLY  46           HA1      GLY  46  -3.878   6.861  -7.432
  320    H    THR  47           HN       THR  47  -6.991   5.776  -6.262
  321    HA   THR  47           HA       THR  47  -7.519   8.533  -5.284
  322    HB   THR  47           HB       THR  47  -9.162   7.524  -6.852
  323    HG1  THR  47           HG1      THR  47  -9.939   7.974  -4.176
  324   1HG2  THR  47          HG22      THR  47  -8.654   5.202  -5.435
  325   2HG2  THR  47          HG21      THR  47 -10.273   5.654  -4.900
  326   3HG2  THR  47          HG23      THR  47  -9.945   5.423  -6.616
  327    H    LEU  48           HN       LEU  48  -6.600   5.482  -4.182
  328    HA   LEU  48           HA       LEU  48  -7.896   5.580  -1.577
  329   1HB   LEU  48           HB2      LEU  48  -7.447   3.373  -1.915
  330   2HB   LEU  48           HB1      LEU  48  -6.259   3.738  -3.157
  331    HG   LEU  48           HG       LEU  48  -4.623   4.306  -1.321
  332   1HD1  LEU  48          HD13      LEU  48  -6.922   3.275   0.331
  333   2HD1  LEU  48          HD12      LEU  48  -5.261   3.247   0.922
  334   3HD1  LEU  48          HD11      LEU  48  -6.030   4.782   0.522
  335   1HD2  LEU  48          HD21      LEU  48  -5.261   1.899  -2.433
  336   2HD2  LEU  48          HD23      LEU  48  -3.890   2.159  -1.356
  337   3HD2  LEU  48          HD22      LEU  48  -5.409   1.531  -0.715
  338    H    THR  49           HN       THR  49  -4.594   5.875  -2.752
  339    HA   THR  49           HA       THR  49  -2.695   6.881  -1.878
  340    HB   THR  49           HB       THR  49  -3.426   9.087  -0.610
  341    HG1  THR  49           HG1      THR  49  -5.664   8.825  -2.225
  342   1HG2  THR  49          HG23      THR  49  -3.773   8.541  -3.561
  343   2HG2  THR  49          HG22      THR  49  -3.737  10.161  -2.863
  344   3HG2  THR  49          HG21      THR  49  -2.316   9.122  -2.752
  345    H    LEU  50           HN       LEU  50  -1.745   7.700   0.294
  346    HA   LEU  50           HA       LEU  50  -3.016   6.326   2.573
  347   1HB   LEU  50           HB2      LEU  50  -1.381   4.779   2.358
  348   2HB   LEU  50           HB1      LEU  50  -0.558   5.743   1.148
  349    HG   LEU  50           HG       LEU  50  -0.307   6.573   4.007
  350   1HD1  LEU  50          HD11      LEU  50   0.574   4.051   2.773
  351   2HD1  LEU  50          HD13      LEU  50   1.809   4.933   3.671
  352   3HD1  LEU  50          HD12      LEU  50   0.313   4.449   4.473
  353   1HD2  LEU  50          HD23      LEU  50   0.696   7.550   1.678
  354   2HD2  LEU  50          HD22      LEU  50   1.553   7.676   3.214
  355   3HD2  LEU  50          HD21      LEU  50   1.955   6.383   2.084
  356    H    SER  51           HN       SER  51  -2.111   7.145   4.709
  357    HA   SER  51           HA       SER  51  -1.520  10.062   4.440
  358   1HB   SER  51           HB2      SER  51  -3.494   8.843   5.990
  359   2HB   SER  51           HB1      SER  51  -2.182   9.022   7.091
  360    HG   SER  51           HG       SER  51  -2.678  11.042   7.207
  361    H    HIS  52           HN       HIS  52  -0.519   7.014   5.811
  362    HA   HIS  52           HA       HIS  52   2.207   7.940   6.169
  363   1HB   HIS  52           HB2      HIS  52   2.276   7.705   8.607
  364   2HB   HIS  52           HB1      HIS  52   1.085   8.930   8.164
  365    HD1  HIS  52           HD1      HIS  52   1.288   6.484  10.558
  366    HD2  HIS  52           HD2      HIS  52  -1.527   7.063   7.521
  367    HE1  HIS  52           HE1      HIS  52  -0.786   5.195  11.232
  368    H    PHE  53           HN       PHE  53   3.554   6.160   7.053
  369    HA   PHE  53           HA       PHE  53   2.742   3.589   6.003
  370   1HB   PHE  53           HB2      PHE  53   5.104   4.542   7.630
  371   2HB   PHE  53           HB1      PHE  53   4.889   2.837   7.233
  372    HD1  PHE  53           HD2      PHE  53   4.826   6.207   5.597
  373    HD2  PHE  53           HD1      PHE  53   5.757   2.032   5.219
  374    HE1  PHE  53           HE2      PHE  53   5.752   6.619   3.338
  375    HE2  PHE  53           HE1      PHE  53   6.686   2.444   2.957
  376    HZ   PHE  53           HZ       PHE  53   6.685   4.738   2.015
  377    H    GLY  54           HN       GLY  54   3.546   1.745   7.933
  378   1HA   GLY  54           HA2      GLY  54   2.708   0.564   9.765
  379   2HA   GLY  54           HA1      GLY  54   2.517   2.113  10.541
  380    H    LYS  55           HN       LYS  55   0.564   0.784  11.352
  381    HA   LYS  55           HA       LYS  55  -1.693   0.824   9.435
  382   1HB   LYS  55           HB2      LYS  55  -2.769   0.133  11.900
  383   2HB   LYS  55           HB1      LYS  55  -2.266  -0.997  10.648
  384   1HG   LYS  55           HG2      LYS  55  -0.031  -1.147  11.647
  385   2HG   LYS  55           HG1      LYS  55  -0.485   0.037  12.874
  386   1HD   LYS  55           HD2      LYS  55  -2.506  -1.772  13.145
  387   2HD   LYS  55           HD1      LYS  55  -1.177  -2.833  12.672
  388   1HE   LYS  55           HE2      LYS  55  -1.061  -2.702  15.047
  389   2HE   LYS  55           HE1      LYS  55   0.215  -1.638  14.459
  390   1HZ   LYS  55           HZ1      LYS  55  -1.499   0.191  14.613
  391   2HZ   LYS  55           HZ3      LYS  55  -2.446  -0.891  15.512
  392   3HZ   LYS  55           HZ2      LYS  55  -0.918  -0.423  16.087
  393    H    CYS  56           HN       CYS  56  -3.358   2.310   9.542
  394    HA   CYS  56           HA       CYS  56  -2.894   4.832  10.777
  395   1HB   CYS  56           HB2      CYS  56  -4.880   3.659   9.083
  396   2HB   CYS  56           HB1      CYS  56  -5.701   4.478  10.412
   
  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   3.537  13.447  -3.365
    2   2H    LEU   1           HT2      LEU   1   4.700  13.664  -4.584
    3   3H    LEU   1           HT1      LEU   1   3.207  14.466  -4.679
    4    HA   LEU   1           HA       LEU   1   2.733  12.774  -6.088
    5   1HB   LEU   1           HB2      LEU   1   5.075  11.639  -4.785
    6   2HB   LEU   1           HB1      LEU   1   3.833  10.415  -5.057
    7    HG   LEU   1           HG       LEU   1   3.688  11.552  -7.443
    8   1HD1  LEU   1          HD11      LEU   1   5.319  13.347  -6.773
    9   2HD1  LEU   1          HD13      LEU   1   6.562  12.102  -6.645
   10   3HD1  LEU   1          HD12      LEU   1   5.811  12.442  -8.205
   11   1HD2  LEU   1          HD23      LEU   1   4.775   9.236  -6.453
   12   2HD2  LEU   1          HD22      LEU   1   4.711   9.649  -8.167
   13   3HD2  LEU   1          HD21      LEU   1   6.176   9.969  -7.237
   14    H    ALA   2           HN       ALA   2   1.819  10.273  -5.567
   15    HA   ALA   2           HA       ALA   2  -0.390  10.783  -3.750
   16   1HB   ALA   2           HB1      ALA   2   0.343   8.767  -5.735
   17   2HB   ALA   2           HB3      ALA   2  -0.398   8.051  -4.304
   18   3HB   ALA   2           HB2      ALA   2  -1.257   9.293  -5.213
   19    H    ALA   3           HN       ALA   3   1.638   7.854  -3.717
   20    HA   ALA   3           HA       ALA   3   1.370   7.649  -0.824
   21   1HB   ALA   3           HB3      ALA   3   2.745   6.071  -2.974
   22   2HB   ALA   3           HB2      ALA   3   3.198   5.796  -1.291
   23   3HB   ALA   3           HB1      ALA   3   1.530   5.544  -1.810
   24    H    VAL   4           HN       VAL   4   3.327   7.542   0.628
   25    HA   VAL   4           HA       VAL   4   5.410   9.456  -0.328
   26    HB   VAL   4           HB       VAL   4   5.629   9.718   2.337
   27   1HG1  VAL   4          HG13      VAL   4   4.591  11.220   0.208
   28   2HG1  VAL   4          HG12      VAL   4   3.363  11.306   1.469
   29   3HG1  VAL   4          HG11      VAL   4   5.016  11.817   1.812
   30   1HG2  VAL   4          HG22      VAL   4   3.820   8.082   2.778
   31   2HG2  VAL   4          HG21      VAL   4   3.386   9.690   3.359
   32   3HG2  VAL   4          HG23      VAL   4   2.700   9.082   1.852
   33    H    SER   5           HN       SER   5   5.712   6.786  -0.806
   34    HA   SER   5           HA       SER   5   8.243   6.096  -0.268
   35   1HB   SER   5           HB2      SER   5   6.750   5.951   2.267
   36   2HB   SER   5           HB1      SER   5   7.721   4.529   1.906
   37    HG   SER   5           HG       SER   5   8.828   7.073   1.513
   38    H    VAL   6           HN       VAL   6   6.086   5.323  -1.983
   39    HA   VAL   6           HA       VAL   6   6.578   2.435  -1.993
   40    HB   VAL   6           HB       VAL   6   3.709   3.389  -1.776
   41   1HG1  VAL   6          HG12      VAL   6   5.078   0.698  -1.950
   42   2HG1  VAL   6          HG11      VAL   6   3.429   0.869  -1.354
   43   3HG1  VAL   6          HG13      VAL   6   3.823   1.350  -3.004
   44   1HG2  VAL   6          HG23      VAL   6   5.509   2.085   0.294
   45   2HG2  VAL   6          HG22      VAL   6   4.819   3.707   0.384
   46   3HG2  VAL   6          HG21      VAL   6   3.767   2.293   0.471
   47    H    ASP   7           HN       ASP   7   6.126   1.489  -4.009
   48    HA   ASP   7           HA       ASP   7   5.224   3.380  -6.149
   49   1HB   ASP   7           HB2      ASP   7   7.699   2.678  -6.163
   50   2HB   ASP   7           HB1      ASP   7   7.123   1.060  -6.565
   51    H    CYS   8           HN       CYS   8   3.336   2.689  -7.075
   52    HA   CYS   8           HA       CYS   8   2.764  -0.244  -6.982
   53   1HB   CYS   8           HB2      CYS   8   0.669   1.925  -6.812
   54   2HB   CYS   8           HB1      CYS   8   0.484   0.207  -6.460
   55    H    SER   9           HN       SER   9   4.001   0.961  -9.215
   56    HA   SER   9           HA       SER   9   1.848   1.443 -11.183
   57   1HB   SER   9           HB2      SER   9   4.471   2.356 -10.949
   58   2HB   SER   9           HB1      SER   9   4.552   1.182 -12.257
   59    HG   SER   9           HG       SER   9   3.831   2.855 -13.346
   60    H    GLU  10           HN       GLU  10   2.859  -1.281  -9.809
   61    HA   GLU  10           HA       GLU  10   2.697  -2.795 -12.374
   62   1HB   GLU  10           HB2      GLU  10   4.420  -3.563 -10.008
   63   2HB   GLU  10           HB1      GLU  10   4.375  -4.333 -11.592
   64   1HG   GLU  10           HG2      GLU  10   6.086  -2.954 -12.140
   65   2HG   GLU  10           HG1      GLU  10   4.864  -1.685 -12.220
   66    H    TYR  11           HN       TYR  11   1.042  -2.188  -9.616
   67    HA   TYR  11           HA       TYR  11   0.389  -4.926  -8.909
   68   1HB   TYR  11           HB2      TYR  11  -0.692  -2.248  -8.001
   69   2HB   TYR  11           HB1      TYR  11  -1.239  -3.793  -7.350
   70    HD1  TYR  11           HD2      TYR  11   1.788  -1.678  -7.867
   71    HD2  TYR  11           HD1      TYR  11   0.037  -4.948  -5.697
   72    HE1  TYR  11           HE2      TYR  11   3.755  -1.733  -6.363
   73    HE2  TYR  11           HE1      TYR  11   2.016  -5.005  -4.192
   74    HH   TYR  11           HH       TYR  11   4.892  -3.267  -4.880
   75    HA   PRO  12           HA       PRO  12  -1.627  -5.540  -7.797
   76   1HB   PRO  12           HB2      PRO  12  -2.784  -7.959  -8.434
   77   2HB   PRO  12           HB1      PRO  12  -3.712  -6.534  -7.935
   78   1HG   PRO  12           HG2      PRO  12  -3.331  -7.661 -10.690
   79   2HG   PRO  12           HG1      PRO  12  -4.734  -6.822 -10.004
   80   1HD   PRO  12           HD2      PRO  12  -2.856  -5.611 -11.675
   81   2HD   PRO  12           HD1      PRO  12  -3.931  -4.774 -10.605
   82    H    LYS  13           HN       LYS  13  -0.075  -6.957  -7.052
   83    HA   LYS  13           HA       LYS  13   1.819  -8.062  -9.046
   84   1HB   LYS  13           HB2      LYS  13   2.029  -6.887  -6.472
   85   2HB   LYS  13           HB1      LYS  13   2.531  -8.565  -6.300
   86   1HG   LYS  13           HG2      LYS  13   3.880  -8.022  -8.532
   87   2HG   LYS  13           HG1      LYS  13   3.758  -6.372  -7.922
   88   1HD   LYS  13           HD2      LYS  13   4.985  -6.849  -5.995
   89   2HD   LYS  13           HD1      LYS  13   4.628  -8.573  -6.073
   90   1HE   LYS  13           HE2      LYS  13   6.974  -8.111  -6.706
   91   2HE   LYS  13           HE1      LYS  13   6.067  -8.796  -8.055
   92   1HZ   LYS  13           HZ3      LYS  13   5.998  -5.908  -7.849
   93   2HZ   LYS  13           HZ2      LYS  13   7.520  -6.565  -8.217
   94   3HZ   LYS  13           HZ1      LYS  13   6.186  -6.895  -9.216
   95    HA   PRO  14           HA       PRO  14   0.262 -12.152  -8.412
   96   1HB   PRO  14           HB2      PRO  14   2.444 -13.544  -9.342
   97   2HB   PRO  14           HB1      PRO  14   1.278 -12.719 -10.391
   98   1HG   PRO  14           HG2      PRO  14   4.052 -11.904  -9.665
   99   2HG   PRO  14           HG1      PRO  14   3.114 -11.520 -11.117
  100   1HD   PRO  14           HD2      PRO  14   3.565  -9.785  -8.960
  101   2HD   PRO  14           HD1      PRO  14   2.347  -9.568 -10.198
  102    H    ALA  15           HN       ALA  15   2.231 -10.752  -6.342
  103    HA   ALA  15           HA       ALA  15   2.209 -12.932  -4.452
  104   1HB   ALA  15           HB2      ALA  15   4.284 -13.274  -6.074
  105   2HB   ALA  15           HB1      ALA  15   5.003 -12.034  -5.046
  106   3HB   ALA  15           HB3      ALA  15   4.442 -13.548  -4.339
  107    H    CYS  16           HN       CYS  16   1.587 -11.739  -2.727
  108    HA   CYS  16           HA       CYS  16   2.535  -8.965  -2.420
  109   1HB   CYS  16           HB2      CYS  16   0.584 -10.661  -0.838
  110   2HB   CYS  16           HB1      CYS  16   1.017  -9.016  -0.390
  111    H    THR  17           HN       THR  17   3.871  -8.259  -0.724
  112    HA   THR  17           HA       THR  17   5.952  -9.858   0.194
  113    HB   THR  17           HB       THR  17   5.716  -8.209   2.321
  114    HG1  THR  17           HG1      THR  17   3.592  -7.634   1.161
  115   1HG2  THR  17          HG22      THR  17   7.098  -8.242  -0.131
  116   2HG2  THR  17          HG21      THR  17   6.462  -6.605   0.031
  117   3HG2  THR  17          HG23      THR  17   7.489  -7.282   1.296
  118    H    LEU  18           HN       LEU  18   6.309 -10.920   2.313
  119    HA   LEU  18           HA       LEU  18   3.742 -12.041   3.329
  120   1HB   LEU  18           HB2      LEU  18   6.404 -13.250   4.020
  121   2HB   LEU  18           HB1      LEU  18   4.842 -14.032   3.799
  122    HG   LEU  18           HG       LEU  18   5.399 -12.862   1.314
  123   1HD1  LEU  18          HD11      LEU  18   7.850 -13.386   2.748
  124   2HD1  LEU  18          HD13      LEU  18   7.721 -14.475   1.366
  125   3HD1  LEU  18          HD12      LEU  18   7.638 -12.729   1.125
  126   1HD2  LEU  18          HD23      LEU  18   4.415 -15.169   2.128
  127   2HD2  LEU  18          HD22      LEU  18   5.194 -15.058   0.551
  128   3HD2  LEU  18          HD21      LEU  18   6.075 -15.725   1.923
  129    H    GLU  19           HN       GLU  19   6.727 -10.434   4.374
  130    HA   GLU  19           HA       GLU  19   6.307 -10.745   7.169
  131   1HB   GLU  19           HB2      GLU  19   7.854  -8.900   7.436
  132   2HB   GLU  19           HB1      GLU  19   8.424  -9.887   6.092
  133   1HG   GLU  19           HG2      GLU  19   6.546  -7.816   5.228
  134   2HG   GLU  19           HG1      GLU  19   7.971  -7.147   6.019
  135    H    TYR  20           HN       TYR  20   5.942  -8.421   8.378
  136    HA   TYR  20           HA       TYR  20   3.351  -7.446   7.265
  137   1HB   TYR  20           HB2      TYR  20   3.179  -8.735   9.403
  138   2HB   TYR  20           HB1      TYR  20   4.115  -7.469  10.191
  139    HD1  TYR  20           HD2      TYR  20   1.523  -7.105   7.510
  140    HD2  TYR  20           HD1      TYR  20   2.535  -6.456  11.638
  141    HE1  TYR  20           HE2      TYR  20  -0.551  -5.758   7.808
  142    HE2  TYR  20           HE1      TYR  20   0.468  -5.119  11.933
  143    HH   TYR  20           HH       TYR  20  -1.767  -4.559   9.208
  144    H    ARG  21           HN       ARG  21   3.184  -5.416   6.837
  145    HA   ARG  21           HA       ARG  21   4.632  -3.297   8.233
  146   1HB   ARG  21           HB2      ARG  21   5.423  -4.240   5.493
  147   2HB   ARG  21           HB1      ARG  21   5.444  -2.507   5.819
  148   1HG   ARG  21           HG2      ARG  21   6.880  -2.928   7.808
  149   2HG   ARG  21           HG1      ARG  21   6.913  -4.642   7.394
  150   1HD   ARG  21           HD2      ARG  21   8.915  -3.328   6.573
  151   2HD   ARG  21           HD1      ARG  21   8.039  -4.196   5.311
  152    HE   ARG  21           HE       ARG  21   7.802  -1.254   5.790
  153   1HH1  ARG  21          HH21      ARG  21   5.702  -1.220   4.242
  154   2HH1  ARG  21          HH22      ARG  21   6.154  -1.611   2.616
  155   1HH2  ARG  21          HH11      ARG  21   9.195  -3.012   3.512
  156   2HH2  ARG  21          HH12      ARG  21   8.129  -2.624   2.204
  157    HA   PRO  22           HA       PRO  22   0.331  -2.756   6.532
  158   1HB   PRO  22           HB2      PRO  22  -0.493  -1.419   8.832
  159   2HB   PRO  22           HB1      PRO  22  -0.652  -3.179   8.559
  160   1HG   PRO  22           HG2      PRO  22   1.394  -1.669  10.164
  161   2HG   PRO  22           HG1      PRO  22   0.674  -3.258  10.483
  162   1HD   PRO  22           HD2      PRO  22   3.199  -2.969   9.448
  163   2HD   PRO  22           HD1      PRO  22   2.164  -4.366   9.070
  164    H    LEU  23           HN       LEU  23   0.105  -1.042   5.136
  165    HA   LEU  23           HA       LEU  23   1.258   1.551   6.079
  166   1HB   LEU  23           HB2      LEU  23   0.457   0.587   3.310
  167   2HB   LEU  23           HB1      LEU  23   1.233   2.127   3.671
  168    HG   LEU  23           HG       LEU  23   2.779   0.186   4.990
  169   1HD1  LEU  23          HD12      LEU  23   1.639  -0.789   2.414
  170   2HD1  LEU  23          HD11      LEU  23   3.342  -1.117   2.736
  171   3HD1  LEU  23          HD13      LEU  23   2.108  -1.688   3.858
  172   1HD2  LEU  23          HD21      LEU  23   3.073   1.922   2.579
  173   2HD2  LEU  23          HD23      LEU  23   3.970   1.946   4.097
  174   3HD2  LEU  23          HD22      LEU  23   4.309   0.702   2.893
  175    H    CYS  24           HN       CYS  24  -0.259   3.511   5.721
  176    HA   CYS  24           HA       CYS  24  -3.088   2.541   5.892
  177   1HB   CYS  24           HB2      CYS  24  -1.803   3.774   7.890
  178   2HB   CYS  24           HB1      CYS  24  -2.420   5.193   7.054
  179    H    GLY  25           HN       GLY  25  -4.567   3.317   4.522
  180   1HA   GLY  25           HA2      GLY  25  -3.794   5.192   2.387
  181   2HA   GLY  25           HA1      GLY  25  -5.185   4.285   2.485
  182    H    SER  26           HN       SER  26  -5.109   6.968   1.745
  183    HA   SER  26           HA       SER  26  -5.746   8.765   3.891
  184   1HB   SER  26           HB2      SER  26  -7.134   9.670   1.617
  185   2HB   SER  26           HB1      SER  26  -5.524  10.157   2.128
  186    HG   SER  26           HG       SER  26  -5.952   9.118  -0.069
  187    H    ASP  27           HN       ASP  27  -7.696   6.555   1.959
  188    HA   ASP  27           HA       ASP  27 -10.271   7.493   2.776
  189   1HB   ASP  27           HB2      ASP  27 -10.820   4.903   2.429
  190   2HB   ASP  27           HB1      ASP  27 -10.504   5.966   1.060
  191    H    ASN  28           HN       ASN  28  -7.796   6.053   4.567
  192    HA   ASN  28           HA       ASN  28  -7.738   5.775   6.901
  193   1HB   ASN  28           HB2      ASN  28 -10.744   5.525   6.936
  194   2HB   ASN  28           HB1      ASN  28  -9.660   5.999   8.241
  195   1HD2  ASN  28          HD22      ASN  28 -11.281   9.042   6.622
  196   2HD2  ASN  28          HD21      ASN  28 -11.941   7.586   7.193
  197    H    LYS  29           HN       LYS  29  -8.123   3.699   4.634
  198    HA   LYS  29           HA       LYS  29  -8.888   1.428   6.421
  199   1HB   LYS  29           HB2      LYS  29  -9.038   0.108   4.249
  200   2HB   LYS  29           HB1      LYS  29 -10.207   1.409   4.412
  201   1HG   LYS  29           HG2      LYS  29  -9.018   2.820   2.951
  202   2HG   LYS  29           HG1      LYS  29  -7.550   1.851   3.103
  203   1HD   LYS  29           HD2      LYS  29  -9.565   0.104   2.153
  204   2HD   LYS  29           HD1      LYS  29  -9.702   1.579   1.197
  205   1HE   LYS  29           HE2      LYS  29  -7.169  -0.033   1.628
  206   2HE   LYS  29           HE1      LYS  29  -8.109   0.044   0.139
  207   1HZ   LYS  29           HZ2      LYS  29  -7.330   2.608   1.231
  208   2HZ   LYS  29           HZ1      LYS  29  -6.038   1.644   0.694
  209   3HZ   LYS  29           HZ3      LYS  29  -7.292   2.050  -0.373
  210    H    THR  30           HN       THR  30  -7.228   0.335   7.198
  211    HA   THR  30           HA       THR  30  -4.512   0.867   6.282
  212    HB   THR  30           HB       THR  30  -5.590  -1.006   8.405
  213    HG1  THR  30           HG1      THR  30  -4.236   0.778   9.544
  214   1HG2  THR  30          HG23      THR  30  -3.130  -1.212   7.140
  215   2HG2  THR  30          HG22      THR  30  -2.767  -0.219   8.551
  216   3HG2  THR  30          HG21      THR  30  -3.501  -1.809   8.759
  217    H    TYR  31           HN       TYR  31  -3.300  -0.365   4.972
  218    HA   TYR  31           HA       TYR  31  -4.452  -2.886   3.942
  219   1HB   TYR  31           HB2      TYR  31  -2.076  -2.257   2.532
  220   2HB   TYR  31           HB1      TYR  31  -3.713  -2.145   1.967
  221    HD1  TYR  31           HD2      TYR  31  -0.992  -0.389   3.401
  222    HD2  TYR  31           HD1      TYR  31  -4.937   0.054   1.896
  223    HE1  TYR  31           HE2      TYR  31  -0.683   2.083   3.241
  224    HE2  TYR  31           HE1      TYR  31  -4.642   2.494   1.739
  225    HH   TYR  31           HH       TYR  31  -1.524   3.979   2.661
  226    H    GLY  32           HN       GLY  32  -3.358  -4.862   4.214
  227   1HA   GLY  32           HA2      GLY  32  -1.940  -5.288   6.555
  228   2HA   GLY  32           HA1      GLY  32  -1.853  -6.375   5.182
  229    H    ASN  33           HN       ASN  33  -0.473  -4.620   3.360
  230    HA   ASN  33           HA       ASN  33   1.865  -3.593   4.694
  231   1HB   ASN  33           HB2      ASN  33   3.491  -5.238   3.888
  232   2HB   ASN  33           HB1      ASN  33   2.297  -6.015   4.917
  233   1HD2  ASN  33          HD22      ASN  33   2.085  -8.374   2.253
  234   2HD2  ASN  33          HD21      ASN  33   2.733  -8.077   3.794
  235    H    LYS  34           HN       LYS  34   3.687  -4.001   2.531
  236    HA   LYS  34           HA       LYS  34   2.984  -1.799   0.954
  237   1HB   LYS  34           HB2      LYS  34   4.777  -2.592  -0.612
  238   2HB   LYS  34           HB1      LYS  34   5.280  -2.481   1.074
  239   1HG   LYS  34           HG2      LYS  34   5.992  -4.595   0.759
  240   2HG   LYS  34           HG1      LYS  34   4.302  -5.020   0.992
  241   1HD   LYS  34           HD2      LYS  34   4.887  -6.100  -1.033
  242   2HD   LYS  34           HD1      LYS  34   4.047  -4.637  -1.548
  243   1HE   LYS  34           HE2      LYS  34   7.030  -4.591  -1.185
  244   2HE   LYS  34           HE1      LYS  34   6.335  -5.253  -2.665
  245   1HZ   LYS  34           HZ1      LYS  34   4.942  -3.001  -2.420
  246   2HZ   LYS  34           HZ3      LYS  34   6.408  -2.512  -1.720
  247   3HZ   LYS  34           HZ2      LYS  34   6.385  -3.118  -3.308
  248    H    CYS  35           HN       CYS  35   2.646  -5.279   0.161
  249    HA   CYS  35           HA       CYS  35   1.519  -4.762  -2.433
  250   1HB   CYS  35           HB2      CYS  35   2.497  -6.964  -1.688
  251   2HB   CYS  35           HB1      CYS  35   1.056  -7.198  -0.702
  252    H    ASN  36           HN       ASN  36  -0.045  -5.824   0.606
  253    HA   ASN  36           HA       ASN  36  -2.717  -5.571  -0.210
  254   1HB   ASN  36           HB2      ASN  36  -2.010  -4.495   2.495
  255   2HB   ASN  36           HB1      ASN  36  -3.309  -5.594   2.034
  256   1HD2  ASN  36          HD22      ASN  36  -0.647  -8.285   1.700
  257   2HD2  ASN  36          HD21      ASN  36  -1.584  -7.458   0.562
  258    H    PHE  37           HN       PHE  37  -0.318  -3.114   0.314
  259    HA   PHE  37           HA       PHE  37  -2.276  -0.968   0.554
  260   1HB   PHE  37           HB2      PHE  37  -0.153  -0.623   1.610
  261   2HB   PHE  37           HB1      PHE  37   0.722  -0.877   0.249
  262    HD1  PHE  37           HD1      PHE  37  -2.429   0.870   0.519
  263    HD2  PHE  37           HD2      PHE  37   1.746   1.238  -0.194
  264    HE1  PHE  37           HE1      PHE  37  -2.800   3.220  -0.088
  265    HE2  PHE  37           HE2      PHE  37   1.431   3.631  -0.833
  266    HZ   PHE  37           HZ       PHE  37  -0.853   4.624  -0.790
  267    H    CYS  38           HN       CYS  38   0.271  -1.538  -1.750
  268    HA   CYS  38           HA       CYS  38  -0.423   0.244  -3.741
  269   1HB   CYS  38           HB2      CYS  38   0.871  -2.468  -3.841
  270   2HB   CYS  38           HB1      CYS  38   0.532  -1.593  -5.332
  271    H    ASN  39           HN       ASN  39  -1.560  -3.165  -3.516
  272    HA   ASN  39           HA       ASN  39  -3.268  -3.180  -5.724
  273   1HB   ASN  39           HB2      ASN  39  -3.221  -4.511  -3.059
  274   2HB   ASN  39           HB1      ASN  39  -4.756  -4.540  -3.912
  275   1HD2  ASN  39          HD22      ASN  39  -2.142  -7.230  -4.975
  276   2HD2  ASN  39          HD21      ASN  39  -2.294  -6.523  -3.445
  277    H    ALA  40           HN       ALA  40  -3.667  -1.735  -2.554
  278    HA   ALA  40           HA       ALA  40  -6.385  -0.923  -2.759
  279   1HB   ALA  40           HB1      ALA  40  -4.718  -0.815  -0.721
  280   2HB   ALA  40           HB3      ALA  40  -4.262   0.753  -1.389
  281   3HB   ALA  40           HB2      ALA  40  -5.923   0.462  -0.873
  282    H    VAL  41           HN       VAL  41  -3.379   0.716  -3.647
  283    HA   VAL  41           HA       VAL  41  -4.568   3.106  -4.671
  284    HB   VAL  41           HB       VAL  41  -1.979   1.746  -5.463
  285   1HG1  VAL  41          HG13      VAL  41  -2.708   3.536  -7.016
  286   2HG1  VAL  41          HG12      VAL  41  -2.836   4.650  -5.654
  287   3HG1  VAL  41          HG11      VAL  41  -1.265   4.001  -6.117
  288   1HG2  VAL  41          HG21      VAL  41  -2.606   3.773  -3.299
  289   2HG2  VAL  41          HG23      VAL  41  -2.147   2.090  -3.044
  290   3HG2  VAL  41          HG22      VAL  41  -0.987   3.225  -3.736
  291    H    VAL  42           HN       VAL  42  -3.055   0.482  -6.564
  292    HA   VAL  42           HA       VAL  42  -4.096   1.273  -9.038
  293    HB   VAL  42           HB       VAL  42  -2.212  -0.248  -8.790
  294   1HG1  VAL  42          HG12      VAL  42  -4.286  -2.051  -7.556
  295   2HG1  VAL  42          HG11      VAL  42  -2.797  -2.691  -8.252
  296   3HG1  VAL  42          HG13      VAL  42  -2.723  -1.560  -6.900
  297   1HG2  VAL  42          HG23      VAL  42  -4.618  -1.389 -10.210
  298   2HG2  VAL  42          HG22      VAL  42  -3.359  -0.358 -10.891
  299   3HG2  VAL  42          HG21      VAL  42  -2.981  -2.012 -10.413
  300    H    GLU  43           HN       GLU  43  -5.807  -0.394  -6.452
  301    HA   GLU  43           HA       GLU  43  -7.837  -1.335  -8.404
  302   1HB   GLU  43           HB2      GLU  43  -6.986  -2.473  -6.068
  303   2HB   GLU  43           HB1      GLU  43  -8.426  -1.629  -5.527
  304   1HG   GLU  43           HG2      GLU  43  -8.948  -2.896  -8.053
  305   2HG   GLU  43           HG1      GLU  43  -8.287  -4.081  -6.928
  306    H    SER  44           HN       SER  44  -7.161   1.327  -6.389
  307    HA   SER  44           HA       SER  44 -10.013   2.148  -6.287
  308   1HB   SER  44           HB2      SER  44  -9.423   3.573  -4.548
  309   2HB   SER  44           HB1      SER  44  -8.200   2.322  -4.350
  310    HG   SER  44           HG       SER  44  -6.918   3.685  -5.840
  311    H    ASN  45           HN       ASN  45  -8.043   2.185  -8.707
  312    HA   ASN  45           HA       ASN  45  -7.937   3.566 -10.614
  313   1HB   ASN  45           HB2      ASN  45 -10.189   4.571  -9.251
  314   2HB   ASN  45           HB1      ASN  45  -9.147   5.961  -9.511
  315   1HD2  ASN  45          HD22      ASN  45 -10.043   6.185 -12.900
  316   2HD2  ASN  45          HD21      ASN  45  -9.493   6.966 -11.497
  317    H    GLY  46           HN       GLY  46  -6.553   3.923  -7.725
  318   1HA   GLY  46           HA2      GLY  46  -4.512   4.900  -7.146
  319   2HA   GLY  46           HA1      GLY  46  -4.480   5.736  -8.688
  320    H    THR  47           HN       THR  47  -7.349   5.962  -6.784
  321    HA   THR  47           HA       THR  47  -6.869   8.845  -6.381
  322    HB   THR  47           HB       THR  47  -9.086   7.977  -7.179
  323    HG1  THR  47           HG1      THR  47 -10.239   9.322  -5.846
  324   1HG2  THR  47          HG21      THR  47  -8.695   6.096  -5.165
  325   2HG2  THR  47          HG23      THR  47  -9.972   7.136  -4.532
  326   3HG2  THR  47          HG22      THR  47 -10.178   6.334  -6.091
  327    H    LEU  48           HN       LEU  48  -6.083   6.064  -4.747
  328    HA   LEU  48           HA       LEU  48  -6.645   7.058  -2.041
  329   1HB   LEU  48           HB2      LEU  48  -6.850   4.777  -1.927
  330   2HB   LEU  48           HB1      LEU  48  -5.831   4.522  -3.337
  331    HG   LEU  48           HG       LEU  48  -3.855   5.178  -1.784
  332   1HD1  LEU  48          HD11      LEU  48  -5.975   5.628  -0.034
  333   2HD1  LEU  48          HD13      LEU  48  -5.244   4.122   0.522
  334   3HD1  LEU  48          HD12      LEU  48  -4.261   5.578   0.375
  335   1HD2  LEU  48          HD21      LEU  48  -5.135   2.740  -2.377
  336   2HD2  LEU  48          HD23      LEU  48  -3.472   2.967  -1.835
  337   3HD2  LEU  48          HD22      LEU  48  -4.751   2.677  -0.657
  338    H    THR  49           HN       THR  49  -4.788   7.251  -0.508
  339    HA   THR  49           HA       THR  49  -2.156   7.694  -1.746
  340    HB   THR  49           HB       THR  49  -1.934   9.917  -0.720
  341    HG1  THR  49           HG1      THR  49  -3.794  10.911   0.089
  342   1HG2  THR  49          HG23      THR  49  -2.986   9.347  -3.069
  343   2HG2  THR  49          HG22      THR  49  -4.423  10.071  -2.345
  344   3HG2  THR  49          HG21      THR  49  -2.933  11.008  -2.479
  345    H    LEU  50           HN       LEU  50  -0.620   6.991  -0.423
  346    HA   LEU  50           HA       LEU  50  -1.232   5.843   2.146
  347   1HB   LEU  50           HB2      LEU  50   0.559   4.896   0.886
  348   2HB   LEU  50           HB1      LEU  50   1.300   6.464   0.603
  349    HG   LEU  50           HG       LEU  50   1.551   6.549   3.195
  350   1HD1  LEU  50          HD11      LEU  50   0.711   3.738   2.622
  351   2HD1  LEU  50          HD13      LEU  50   1.958   3.993   3.843
  352   3HD1  LEU  50          HD12      LEU  50   0.373   4.744   4.031
  353   1HD2  LEU  50          HD23      LEU  50   3.155   5.715   1.062
  354   2HD2  LEU  50          HD22      LEU  50   3.715   6.132   2.681
  355   3HD2  LEU  50          HD21      LEU  50   3.360   4.453   2.274
  356    H    SER  51           HN       SER  51  -0.853   6.816   4.203
  357    HA   SER  51           HA       SER  51  -0.038   9.691   4.109
  358   1HB   SER  51           HB2      SER  51  -2.409   8.686   5.149
  359   2HB   SER  51           HB1      SER  51  -1.376   8.746   6.542
  360    HG   SER  51           HG       SER  51  -1.421  10.929   4.803
  361    H    HIS  52           HN       HIS  52   0.667   6.545   5.264
  362    HA   HIS  52           HA       HIS  52   3.229   7.198   6.273
  363   1HB   HIS  52           HB2      HIS  52   2.872   7.091   8.681
  364   2HB   HIS  52           HB1      HIS  52   1.882   8.388   8.021
  365    HD1  HIS  52           HD1      HIS  52   1.380   6.284  10.575
  366    HD2  HIS  52           HD2      HIS  52  -0.646   6.475   6.925
  367    HE1  HIS  52           HE1      HIS  52  -0.840   5.111  10.912
  368    H    PHE  53           HN       PHE  53   4.269   5.340   7.134
  369    HA   PHE  53           HA       PHE  53   3.139   2.811   6.290
  370   1HB   PHE  53           HB2      PHE  53   5.632   3.616   7.778
  371   2HB   PHE  53           HB1      PHE  53   5.176   1.914   7.658
  372    HD1  PHE  53           HD2      PHE  53   4.797   4.753   5.268
  373    HD2  PHE  53           HD1      PHE  53   6.556   0.912   6.029
  374    HE1  PHE  53           HE2      PHE  53   5.649   4.694   2.964
  375    HE2  PHE  53           HE1      PHE  53   7.425   0.853   3.706
  376    HZ   PHE  53           HZ       PHE  53   6.972   2.747   2.167
  377    H    GLY  54           HN       GLY  54   3.259   0.948   8.028
  378   1HA   GLY  54           HA2      GLY  54   2.431   0.016  10.026
  379   2HA   GLY  54           HA1      GLY  54   2.471   1.585  10.732
  380    H    LYS  55           HN       LYS  55   0.347   0.664  11.626
  381    HA   LYS  55           HA       LYS  55  -1.903   0.984   9.723
  382   1HB   LYS  55           HB2      LYS  55  -2.958   0.610  12.308
  383   2HB   LYS  55           HB1      LYS  55  -2.849  -0.593  11.028
  384   1HG   LYS  55           HG2      LYS  55  -0.482  -1.065  11.837
  385   2HG   LYS  55           HG1      LYS  55  -0.856  -0.067  13.242
  386   1HD   LYS  55           HD2      LYS  55  -1.467  -2.154  14.051
  387   2HD   LYS  55           HD1      LYS  55  -3.001  -1.621  13.364
  388   1HE   LYS  55           HE2      LYS  55  -2.086  -2.739  11.168
  389   2HE   LYS  55           HE1      LYS  55  -1.038  -3.619  12.280
  390   1HZ   LYS  55           HZ3      LYS  55  -3.913  -3.441  12.855
  391   2HZ   LYS  55           HZ2      LYS  55  -3.376  -4.541  11.676
  392   3HZ   LYS  55           HZ1      LYS  55  -2.805  -4.656  13.272
  393    H    CYS  56           HN       CYS  56  -3.652   2.525  10.222
  394    HA   CYS  56           HA       CYS  56  -2.713   5.125  10.869
  395   1HB   CYS  56           HB2      CYS  56  -5.432   3.885  10.630
  396   2HB   CYS  56           HB1      CYS  56  -5.290   5.511  11.300
   
  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           HT2      LEU   1  10.547  11.446  11.541
    2   2H    LEU   1           HT1      LEU   1   9.132  11.185  12.445
    3   3H    LEU   1           HT3      LEU   1  10.456  10.137  12.619
    4    HA   LEU   1           HA       LEU   1  10.134   9.149  10.555
    5   1HB   LEU   1           HB2      LEU   1   7.960   9.377  12.392
    6   2HB   LEU   1           HB1      LEU   1   7.290   9.386  10.760
    7    HG   LEU   1           HG       LEU   1   9.443   7.412  11.206
    8   1HD1  LEU   1          HD12      LEU   1   6.733   7.123  12.538
    9   2HD1  LEU   1          HD11      LEU   1   7.930   5.838  12.382
   10   3HD1  LEU   1          HD13      LEU   1   8.283   7.257  13.367
   11   1HD2  LEU   1          HD23      LEU   1   7.507   7.900   9.311
   12   2HD2  LEU   1          HD22      LEU   1   8.364   6.370   9.494
   13   3HD2  LEU   1          HD21      LEU   1   6.781   6.588  10.241
   14    H    ALA   2           HN       ALA   2  10.895  11.168   9.268
   15    HA   ALA   2           HA       ALA   2   8.635  12.519   7.889
   16   1HB   ALA   2           HB3      ALA   2  11.587  13.048   8.118
   17   2HB   ALA   2           HB2      ALA   2  10.666  13.758   6.793
   18   3HB   ALA   2           HB1      ALA   2  10.237  14.129   8.464
   19    H    ALA   3           HN       ALA   3   7.862  11.124   6.327
   20    HA   ALA   3           HA       ALA   3   9.126  10.778   3.872
   21   1HB   ALA   3           HB3      ALA   3   9.890   8.680   5.879
   22   2HB   ALA   3           HB2      ALA   3   9.686   8.218   4.189
   23   3HB   ALA   3           HB1      ALA   3  10.877   9.441   4.631
   24    H    VAL   4           HN       VAL   4   7.011  10.923   3.102
   25    HA   VAL   4           HA       VAL   4   5.287   8.538   3.639
   26    HB   VAL   4           HB       VAL   4   4.460  11.440   3.344
   27   1HG1  VAL   4          HG12      VAL   4   3.079   9.147   2.472
   28   2HG1  VAL   4          HG11      VAL   4   2.336   9.587   4.010
   29   3HG1  VAL   4          HG13      VAL   4   2.412  10.764   2.699
   30   1HG2  VAL   4          HG23      VAL   4   5.025   9.725   5.583
   31   2HG2  VAL   4          HG22      VAL   4   4.503  11.410   5.596
   32   3HG2  VAL   4          HG21      VAL   4   3.305  10.117   5.582
   33    H    SER   5           HN       SER   5   5.978   7.522   1.689
   34    HA   SER   5           HA       SER   5   4.533   8.273  -0.676
   35   1HB   SER   5           HB2      SER   5   6.729   9.847  -0.398
   36   2HB   SER   5           HB1      SER   5   7.429   8.490  -1.277
   37    HG   SER   5           HG       SER   5   6.539  10.102  -2.662
   38    H    VAL   6           HN       VAL   6   4.042   6.215  -1.289
   39    HA   VAL   6           HA       VAL   6   6.237   4.192  -1.222
   40    HB   VAL   6           HB       VAL   6   4.023   3.869   0.119
   41   1HG1  VAL   6          HG13      VAL   6   2.507   4.467  -1.740
   42   2HG1  VAL   6          HG12      VAL   6   3.124   3.107  -2.678
   43   3HG1  VAL   6          HG11      VAL   6   2.222   2.816  -1.192
   44   1HG2  VAL   6          HG22      VAL   6   5.881   2.142  -0.974
   45   2HG2  VAL   6          HG21      VAL   6   4.624   1.684   0.176
   46   3HG2  VAL   6          HG23      VAL   6   4.355   1.476  -1.554
   47    H    ASP   7           HN       ASP   7   6.092   2.542  -3.038
   48    HA   ASP   7           HA       ASP   7   5.222   3.911  -5.555
   49   1HB   ASP   7           HB2      ASP   7   7.684   3.605  -5.329
   50   2HB   ASP   7           HB1      ASP   7   7.432   1.864  -5.195
   51    H    CYS   8           HN       CYS   8   3.769   2.825  -6.826
   52    HA   CYS   8           HA       CYS   8   3.318  -0.073  -6.252
   53   1HB   CYS   8           HB2      CYS   8   1.189   2.036  -6.730
   54   2HB   CYS   8           HB1      CYS   8   0.892   0.309  -6.533
   55    H    SER   9           HN       SER   9   4.953   0.523  -8.305
   56    HA   SER   9           HA       SER   9   3.352   0.810 -10.771
   57   1HB   SER   9           HB2      SER   9   6.191   1.047 -10.039
   58   2HB   SER   9           HB1      SER   9   5.917   0.258 -11.589
   59    HG   SER   9           HG       SER   9   5.246   2.848 -10.732
   60    H    GLU  10           HN       GLU  10   4.587  -1.686  -8.786
   61    HA   GLU  10           HA       GLU  10   4.424  -3.663 -11.012
   62   1HB   GLU  10           HB2      GLU  10   5.334  -4.217  -8.183
   63   2HB   GLU  10           HB1      GLU  10   5.680  -5.148  -9.641
   64   1HG   GLU  10           HG2      GLU  10   7.572  -3.956  -9.897
   65   2HG   GLU  10           HG1      GLU  10   6.583  -2.518 -10.155
   66    H    TYR  11           HN       TYR  11   2.038  -2.453  -9.975
   67    HA   TYR  11           HA       TYR  11   0.751  -4.813  -8.709
   68   1HB   TYR  11           HB2      TYR  11   0.311  -1.851  -8.217
   69   2HB   TYR  11           HB1      TYR  11  -0.743  -3.107  -7.572
   70    HD1  TYR  11           HD1      TYR  11   0.236  -4.890  -6.054
   71    HD2  TYR  11           HD2      TYR  11   2.429  -1.397  -7.245
   72    HE1  TYR  11           HE1      TYR  11   1.868  -5.290  -4.224
   73    HE2  TYR  11           HE2      TYR  11   4.054  -1.790  -5.413
   74    HH   TYR  11           HH       TYR  11   4.471  -4.577  -3.899
   75    HA   PRO  12           HA       PRO  12  -1.351  -4.742  -7.989
   76   1HB   PRO  12           HB2      PRO  12  -3.520  -6.347  -8.525
   77   2HB   PRO  12           HB1      PRO  12  -3.649  -4.610  -8.215
   78   1HG   PRO  12           HG2      PRO  12  -3.998  -6.063 -10.764
   79   2HG   PRO  12           HG1      PRO  12  -4.504  -4.419 -10.340
   80   1HD   PRO  12           HD2      PRO  12  -2.183  -5.227 -11.847
   81   2HD   PRO  12           HD1      PRO  12  -2.702  -3.588 -11.516
   82    H    LYS  13           HN       LYS  13  -0.939  -6.802  -6.998
   83    HA   LYS  13           HA       LYS  13   0.072  -8.889  -8.888
   84   1HB   LYS  13           HB2      LYS  13   0.974  -8.806  -6.039
   85   2HB   LYS  13           HB1      LYS  13   1.858  -9.293  -7.485
   86   1HG   LYS  13           HG2      LYS  13   1.737  -6.818  -8.185
   87   2HG   LYS  13           HG1      LYS  13   1.276  -6.498  -6.512
   88   1HD   LYS  13           HD2      LYS  13   3.723  -6.263  -6.850
   89   2HD   LYS  13           HD1      LYS  13   3.339  -7.557  -5.716
   90   1HE   LYS  13           HE2      LYS  13   3.352  -8.627  -8.384
   91   2HE   LYS  13           HE1      LYS  13   4.856  -7.747  -8.107
   92   1HZ   LYS  13           HZ3      LYS  13   3.831  -9.590  -6.053
   93   2HZ   LYS  13           HZ2      LYS  13   4.679 -10.204  -7.391
   94   3HZ   LYS  13           HZ1      LYS  13   5.425  -9.091  -6.346
   95    HA   PRO  14           HA       PRO  14  -3.081 -11.418  -7.101
   96   1HB   PRO  14           HB2      PRO  14  -2.231 -13.812  -8.143
   97   2HB   PRO  14           HB1      PRO  14  -3.074 -12.573  -9.089
   98   1HG   PRO  14           HG2      PRO  14  -0.188 -13.312  -9.112
   99   2HG   PRO  14           HG1      PRO  14  -1.170 -12.590 -10.396
  100   1HD   PRO  14           HD2      PRO  14   0.658 -11.221  -8.758
  101   2HD   PRO  14           HD1      PRO  14  -0.556 -10.472  -9.768
  102    H    ALA  15           HN       ALA  15  -0.196 -11.107  -5.819
  103    HA   ALA  15           HA       ALA  15  -0.605 -12.474  -3.428
  104   1HB   ALA  15           HB2      ALA  15   0.137 -14.280  -5.567
  105   2HB   ALA  15           HB1      ALA  15   1.385 -14.270  -4.319
  106   3HB   ALA  15           HB3      ALA  15  -0.283 -14.657  -3.896
  107    H    CYS  16           HN       CYS  16   0.974 -11.740  -2.008
  108    HA   CYS  16           HA       CYS  16   3.559 -10.882  -3.215
  109   1HB   CYS  16           HB2      CYS  16   1.533  -9.165  -2.145
  110   2HB   CYS  16           HB1      CYS  16   2.966  -9.076  -1.117
  111    H    THR  17           HN       THR  17   5.259 -10.505  -1.538
  112    HA   THR  17           HA       THR  17   5.643 -12.780   0.079
  113    HB   THR  17           HB       THR  17   7.182 -10.892   1.335
  114    HG1  THR  17           HG1      THR  17   7.216 -10.025  -1.309
  115   1HG2  THR  17          HG23      THR  17   7.646 -13.043  -0.160
  116   2HG2  THR  17          HG22      THR  17   8.045 -11.822  -1.369
  117   3HG2  THR  17          HG21      THR  17   8.918 -11.865   0.162
  118    H    LEU  18           HN       LEU  18   6.313 -11.904   2.653
  119    HA   LEU  18           HA       LEU  18   3.658 -10.995   3.676
  120   1HB   LEU  18           HB2      LEU  18   4.149 -12.446   5.698
  121   2HB   LEU  18           HB1      LEU  18   3.825 -13.327   4.206
  122    HG   LEU  18           HG       LEU  18   6.397 -13.297   3.873
  123   1HD1  LEU  18          HD11      LEU  18   6.068 -12.116   6.558
  124   2HD1  LEU  18          HD13      LEU  18   7.246 -13.426   6.474
  125   3HD1  LEU  18          HD12      LEU  18   7.429 -12.008   5.441
  126   1HD2  LEU  18          HD21      LEU  18   4.701 -15.153   4.844
  127   2HD2  LEU  18          HD23      LEU  18   6.439 -15.431   4.722
  128   3HD2  LEU  18          HD22      LEU  18   5.729 -14.944   6.262
  129    H    GLU  19           HN       GLU  19   6.756  -9.993   3.348
  130    HA   GLU  19           HA       GLU  19   7.669  -9.166   5.850
  131   1HB   GLU  19           HB2      GLU  19   8.711  -7.250   4.712
  132   2HB   GLU  19           HB1      GLU  19   8.874  -8.698   3.721
  133   1HG   GLU  19           HG2      GLU  19   6.395  -7.467   3.034
  134   2HG   GLU  19           HG1      GLU  19   7.635  -6.216   3.037
  135    H    TYR  20           HN       TYR  20   6.566  -8.139   7.408
  136    HA   TYR  20           HA       TYR  20   4.055  -6.827   6.780
  137   1HB   TYR  20           HB2      TYR  20   4.635  -8.170   8.893
  138   2HB   TYR  20           HB1      TYR  20   5.362  -6.678   9.478
  139    HD1  TYR  20           HD2      TYR  20   2.324  -7.303   7.367
  140    HD2  TYR  20           HD1      TYR  20   3.889  -5.750  11.057
  141    HE1  TYR  20           HE2      TYR  20   0.069  -6.453   7.966
  142    HE2  TYR  20           HE1      TYR  20   1.637  -4.904  11.654
  143    HH   TYR  20           HH       TYR  20  -0.590  -4.229   9.932
  144    H    ARG  21           HN       ARG  21   3.699  -4.855   6.403
  145    HA   ARG  21           HA       ARG  21   5.142  -2.609   7.561
  146   1HB   ARG  21           HB2      ARG  21   5.517  -1.722   5.086
  147   2HB   ARG  21           HB1      ARG  21   6.732  -2.749   5.846
  148   1HG   ARG  21           HG2      ARG  21   5.493  -4.736   4.811
  149   2HG   ARG  21           HG1      ARG  21   4.615  -3.550   3.847
  150   1HD   ARG  21           HD2      ARG  21   7.574  -4.149   3.838
  151   2HD   ARG  21           HD1      ARG  21   6.449  -4.172   2.480
  152    HE   ARG  21           HE       ARG  21   6.318  -1.627   2.829
  153   1HH1  ARG  21          HH11      ARG  21   8.534  -2.677   5.024
  154   2HH1  ARG  21          HH12      ARG  21   9.882  -1.781   4.405
  155   1HH2  ARG  21          HH21      ARG  21   8.260  -0.838   1.489
  156   2HH2  ARG  21          HH22      ARG  21   9.727  -0.742   2.404
  157    HA   PRO  22           HA       PRO  22   0.671  -2.426   6.522
  158   1HB   PRO  22           HB2      PRO  22  -0.041  -1.222   8.910
  159   2HB   PRO  22           HB1      PRO  22   0.005  -2.979   8.628
  160   1HG   PRO  22           HG2      PRO  22   1.993  -1.243  10.051
  161   2HG   PRO  22           HG1      PRO  22   1.558  -2.936  10.356
  162   1HD   PRO  22           HD2      PRO  22   3.870  -2.148   9.026
  163   2HD   PRO  22           HD1      PRO  22   3.101  -3.738   8.826
  164    H    LEU  23           HN       LEU  23   0.126  -0.837   5.143
  165    HA   LEU  23           HA       LEU  23   0.938   1.947   5.927
  166   1HB   LEU  23           HB2      LEU  23   0.153   1.165   3.134
  167   2HB   LEU  23           HB1      LEU  23   1.190   2.484   3.668
  168    HG   LEU  23           HG       LEU  23   2.104  -0.269   4.326
  169   1HD1  LEU  23          HD13      LEU  23   1.571   0.714   1.599
  170   2HD1  LEU  23          HD12      LEU  23   3.192   0.070   1.859
  171   3HD1  LEU  23          HD11      LEU  23   1.781  -0.936   2.185
  172   1HD2  LEU  23          HD23      LEU  23   3.132   2.340   4.363
  173   2HD2  LEU  23          HD22      LEU  23   4.039   0.851   4.624
  174   3HD2  LEU  23          HD21      LEU  23   3.942   1.552   3.009
  175    H    CYS  24           HN       CYS  24  -0.727   3.332   6.358
  176    HA   CYS  24           HA       CYS  24  -3.466   2.313   5.975
  177   1HB   CYS  24           HB2      CYS  24  -2.161   4.225   7.754
  178   2HB   CYS  24           HB1      CYS  24  -3.679   4.838   7.121
  179    H    GLY  25           HN       GLY  25  -4.378   2.656   4.063
  180   1HA   GLY  25           HA2      GLY  25  -3.553   4.386   2.052
  181   2HA   GLY  25           HA1      GLY  25  -5.141   3.788   2.185
  182    H    SER  26           HN       SER  26  -5.579   6.039   1.222
  183    HA   SER  26           HA       SER  26  -5.413   8.279   3.091
  184   1HB   SER  26           HB2      SER  26  -5.450   8.980   0.847
  185   2HB   SER  26           HB1      SER  26  -6.729   7.855   0.409
  186    HG   SER  26           HG       SER  26  -8.199   9.144   1.354
  187    H    ASP  27           HN       ASP  27  -7.862   5.908   2.167
  188    HA   ASP  27           HA       ASP  27 -10.049   7.176   3.555
  189   1HB   ASP  27           HB2      ASP  27 -11.029   4.810   3.472
  190   2HB   ASP  27           HB1      ASP  27 -10.618   5.535   1.917
  191    H    ASN  28           HN       ASN  28  -7.226   5.776   4.695
  192    HA   ASN  28           HA       ASN  28  -6.550   5.541   6.943
  193   1HB   ASN  28           HB2      ASN  28  -8.907   6.858   7.301
  194   2HB   ASN  28           HB1      ASN  28  -9.291   5.305   8.041
  195   1HD2  ASN  28          HD22      ASN  28  -6.203   7.490   9.677
  196   2HD2  ASN  28          HD21      ASN  28  -6.521   7.633   8.015
  197    H    LYS  29           HN       LYS  29  -7.265   3.418   5.009
  198    HA   LYS  29           HA       LYS  29  -8.205   1.258   6.815
  199   1HB   LYS  29           HB2      LYS  29  -9.320   1.202   4.705
  200   2HB   LYS  29           HB1      LYS  29  -7.817   1.449   3.817
  201   1HG   LYS  29           HG2      LYS  29  -7.367  -0.749   3.807
  202   2HG   LYS  29           HG1      LYS  29  -7.641  -0.872   5.544
  203   1HD   LYS  29           HD2      LYS  29  -9.872  -0.772   3.494
  204   2HD   LYS  29           HD1      LYS  29  -9.221  -2.270   4.161
  205   1HE   LYS  29           HE2      LYS  29 -10.590  -2.046   5.932
  206   2HE   LYS  29           HE1      LYS  29  -9.751  -0.554   6.361
  207   1HZ   LYS  29           HZ2      LYS  29 -11.367   0.144   4.272
  208   2HZ   LYS  29           HZ1      LYS  29 -12.331  -0.908   5.194
  209   3HZ   LYS  29           HZ3      LYS  29 -11.655   0.470   5.915
  210    H    THR  30           HN       THR  30  -6.782  -0.349   7.484
  211    HA   THR  30           HA       THR  30  -3.926   0.170   7.016
  212    HB   THR  30           HB       THR  30  -5.307  -1.965   8.669
  213    HG1  THR  30           HG1      THR  30  -5.057  -0.598  10.306
  214   1HG2  THR  30          HG21      THR  30  -2.707  -1.980   7.716
  215   2HG2  THR  30          HG23      THR  30  -2.536  -1.240   9.308
  216   3HG2  THR  30          HG22      THR  30  -3.270  -2.836   9.150
  217    H    TYR  31           HN       TYR  31  -2.613  -1.018   5.707
  218    HA   TYR  31           HA       TYR  31  -3.822  -3.370   4.337
  219   1HB   TYR  31           HB2      TYR  31  -2.154  -1.100   3.290
  220   2HB   TYR  31           HB1      TYR  31  -1.870  -2.694   2.645
  221    HD1  TYR  31           HD2      TYR  31  -4.062  -4.089   2.065
  222    HD2  TYR  31           HD1      TYR  31  -3.870   0.188   2.377
  223    HE1  TYR  31           HE2      TYR  31  -6.129  -3.899   0.709
  224    HE2  TYR  31           HE1      TYR  31  -5.940   0.381   1.025
  225    HH   TYR  31           HH       TYR  31  -8.052  -1.484   0.626
  226    H    GLY  32           HN       GLY  32  -2.525  -5.277   4.307
  227   1HA   GLY  32           HA2      GLY  32  -0.900  -5.668   6.547
  228   2HA   GLY  32           HA1      GLY  32  -0.896  -6.739   5.165
  229    H    ASN  33           HN       ASN  33   0.163  -4.808   3.260
  230    HA   ASN  33           HA       ASN  33   2.645  -3.810   4.415
  231   1HB   ASN  33           HB2      ASN  33   4.126  -5.251   3.003
  232   2HB   ASN  33           HB1      ASN  33   3.280  -6.136   4.264
  233   1HD2  ASN  33          HD22      ASN  33   2.892  -7.972   1.015
  234   2HD2  ASN  33          HD21      ASN  33   4.230  -7.469   1.932
  235    H    LYS  34           HN       LYS  34   4.156  -3.654   2.063
  236    HA   LYS  34           HA       LYS  34   2.933  -1.434   0.793
  237   1HB   LYS  34           HB2      LYS  34   4.814  -1.444  -0.696
  238   2HB   LYS  34           HB1      LYS  34   5.419  -2.019   0.858
  239   1HG   LYS  34           HG2      LYS  34   5.089  -4.371   0.076
  240   2HG   LYS  34           HG1      LYS  34   4.615  -3.742  -1.504
  241   1HD   LYS  34           HD2      LYS  34   7.155  -2.652  -0.474
  242   2HD   LYS  34           HD1      LYS  34   7.186  -4.382  -0.821
  243   1HE   LYS  34           HE2      LYS  34   7.748  -3.449  -2.896
  244   2HE   LYS  34           HE1      LYS  34   6.010  -3.700  -3.055
  245   1HZ   LYS  34           HZ1      LYS  34   7.299  -1.160  -2.214
  246   2HZ   LYS  34           HZ3      LYS  34   6.708  -1.481  -3.771
  247   3HZ   LYS  34           HZ2      LYS  34   5.635  -1.412  -2.455
  248    H    CYS  35           HN       CYS  35   2.792  -4.863   0.042
  249    HA   CYS  35           HA       CYS  35   1.708  -4.400  -2.595
  250   1HB   CYS  35           HB2      CYS  35   1.925  -6.830  -0.814
  251   2HB   CYS  35           HB1      CYS  35   1.131  -6.870  -2.379
  252    H    ASN  36           HN       ASN  36   0.271  -5.666   0.436
  253    HA   ASN  36           HA       ASN  36  -2.402  -5.678  -0.387
  254   1HB   ASN  36           HB2      ASN  36  -1.627  -4.612   2.330
  255   2HB   ASN  36           HB1      ASN  36  -3.009  -5.619   1.898
  256   1HD2  ASN  36          HD22      ASN  36  -0.267  -8.273   1.213
  257   2HD2  ASN  36          HD21      ASN  36  -1.072  -7.253   0.133
  258    H    PHE  37           HN       PHE  37  -0.389  -2.934   0.609
  259    HA   PHE  37           HA       PHE  37  -2.506  -0.984   0.629
  260   1HB   PHE  37           HB2      PHE  37  -0.347  -0.540   1.671
  261   2HB   PHE  37           HB1      PHE  37   0.467  -0.592   0.248
  262    HD1  PHE  37           HD1      PHE  37  -2.782   0.941   1.043
  263    HD2  PHE  37           HD2      PHE  37   1.214   1.467  -0.331
  264    HE1  PHE  37           HE1      PHE  37  -3.299   3.323   0.514
  265    HE2  PHE  37           HE2      PHE  37   0.736   3.860  -0.850
  266    HZ   PHE  37           HZ       PHE  37  -1.529   4.784  -0.417
  267    H    CYS  38           HN       CYS  38   0.029  -1.585  -1.687
  268    HA   CYS  38           HA       CYS  38  -0.748   0.167  -3.717
  269   1HB   CYS  38           HB2      CYS  38   0.637  -2.515  -3.854
  270   2HB   CYS  38           HB1      CYS  38   0.396  -1.503  -5.278
  271    H    ASN  39           HN       ASN  39  -1.616  -3.338  -3.586
  272    HA   ASN  39           HA       ASN  39  -3.254  -3.600  -5.746
  273   1HB   ASN  39           HB2      ASN  39  -3.324  -4.666  -2.972
  274   2HB   ASN  39           HB1      ASN  39  -4.783  -4.872  -3.928
  275   1HD2  ASN  39          HD22      ASN  39  -2.058  -7.552  -4.538
  276   2HD2  ASN  39          HD21      ASN  39  -2.467  -6.785  -3.083
  277    H    ALA  40           HN       ALA  40  -3.896  -1.678  -2.890
  278    HA   ALA  40           HA       ALA  40  -6.681  -1.156  -3.555
  279   1HB   ALA  40           HB2      ALA  40  -5.346  -0.881  -1.256
  280   2HB   ALA  40           HB1      ALA  40  -5.067   0.742  -1.888
  281   3HB   ALA  40           HB3      ALA  40  -6.715   0.163  -1.641
  282    H    VAL  41           HN       VAL  41  -3.633   0.691  -3.742
  283    HA   VAL  41           HA       VAL  41  -4.554   2.999  -5.066
  284    HB   VAL  41           HB       VAL  41  -1.951   1.492  -5.473
  285   1HG1  VAL  41          HG12      VAL  41  -2.824   4.289  -6.226
  286   2HG1  VAL  41          HG11      VAL  41  -1.126   3.841  -6.068
  287   3HG1  VAL  41          HG13      VAL  41  -2.140   3.046  -7.273
  288   1HG2  VAL  41          HG23      VAL  41  -2.820   3.662  -3.547
  289   2HG2  VAL  41          HG22      VAL  41  -2.223   2.050  -3.152
  290   3HG2  VAL  41          HG21      VAL  41  -1.128   3.252  -3.837
  291    H    VAL  42           HN       VAL  42  -3.261   0.034  -6.570
  292    HA   VAL  42           HA       VAL  42  -3.758   0.736  -9.261
  293    HB   VAL  42           HB       VAL  42  -3.574  -1.698  -9.692
  294   1HG1  VAL  42          HG12      VAL  42  -1.656  -0.042  -8.623
  295   2HG1  VAL  42          HG11      VAL  42  -1.598  -1.426  -7.533
  296   3HG1  VAL  42          HG13      VAL  42  -1.345  -1.656  -9.262
  297   1HG2  VAL  42          HG23      VAL  42  -4.096  -1.777  -6.742
  298   2HG2  VAL  42          HG22      VAL  42  -4.761  -2.800  -8.015
  299   3HG2  VAL  42          HG21      VAL  42  -3.099  -3.031  -7.475
  300    H    GLU  43           HN       GLU  43  -5.880  -0.719  -6.830
  301    HA   GLU  43           HA       GLU  43  -8.005  -1.102  -8.845
  302   1HB   GLU  43           HB2      GLU  43  -7.360  -2.527  -6.588
  303   2HB   GLU  43           HB1      GLU  43  -8.661  -1.500  -6.004
  304   1HG   GLU  43           HG2      GLU  43 -10.080  -2.227  -7.892
  305   2HG   GLU  43           HG1      GLU  43  -8.778  -3.280  -8.448
  306    H    SER  44           HN       SER  44  -6.866   1.429  -7.032
  307    HA   SER  44           HA       SER  44  -9.580   2.563  -6.605
  308   1HB   SER  44           HB2      SER  44  -8.233   2.621  -4.604
  309   2HB   SER  44           HB1      SER  44  -6.878   3.330  -5.477
  310    HG   SER  44           HG       SER  44  -9.044   4.518  -4.370
  311    H    ASN  45           HN       ASN  45  -7.007   2.660  -8.774
  312    HA   ASN  45           HA       ASN  45  -6.803   3.973 -10.730
  313   1HB   ASN  45           HB2      ASN  45  -9.378   4.608  -9.914
  314   2HB   ASN  45           HB1      ASN  45  -8.559   6.165  -9.903
  315   1HD2  ASN  45          HD22      ASN  45  -9.787   5.656 -13.368
  316   2HD2  ASN  45          HD21      ASN  45 -10.491   5.876 -11.840
  317    H    GLY  46           HN       GLY  46  -5.366   4.258  -8.177
  318   1HA   GLY  46           HA2      GLY  46  -3.813   5.673  -7.174
  319   2HA   GLY  46           HA1      GLY  46  -3.687   6.450  -8.736
  320    H    THR  47           HN       THR  47  -6.630   6.264  -6.843
  321    HA   THR  47           HA       THR  47  -6.465   9.215  -6.380
  322    HB   THR  47           HB       THR  47  -8.322   8.341  -7.917
  323    HG1  THR  47           HG1      THR  47  -9.952   9.494  -6.473
  324   1HG2  THR  47          HG22      THR  47  -8.654   6.327  -6.290
  325   2HG2  THR  47          HG21      THR  47  -9.656   7.451  -5.373
  326   3HG2  THR  47          HG23      THR  47 -10.073   7.056  -7.041
  327    H    LEU  48           HN       LEU  48  -5.871   6.447  -4.877
  328    HA   LEU  48           HA       LEU  48  -7.408   6.848  -2.422
  329   1HB   LEU  48           HB2      LEU  48  -7.191   4.586  -2.863
  330   2HB   LEU  48           HB1      LEU  48  -5.616   4.782  -3.616
  331    HG   LEU  48           HG       LEU  48  -4.784   5.334  -1.208
  332   1HD1  LEU  48          HD11      LEU  48  -7.430   3.983  -0.686
  333   2HD1  LEU  48          HD13      LEU  48  -6.160   4.193   0.520
  334   3HD1  LEU  48          HD12      LEU  48  -6.955   5.604  -0.178
  335   1HD2  LEU  48          HD22      LEU  48  -5.163   2.916  -2.686
  336   2HD2  LEU  48          HD21      LEU  48  -3.893   3.297  -1.523
  337   3HD2  LEU  48          HD23      LEU  48  -5.400   2.564  -0.974
  338    H    THR  49           HN       THR  49  -3.973   6.257  -2.951
  339    HA   THR  49           HA       THR  49  -2.070   7.159  -1.971
  340    HB   THR  49           HB       THR  49  -1.967   9.475  -1.725
  341    HG1  THR  49           HG1      THR  49  -3.464  10.530  -0.718
  342   1HG2  THR  49          HG21      THR  49  -2.750   8.566  -3.981
  343   2HG2  THR  49          HG23      THR  49  -4.326   9.230  -3.551
  344   3HG2  THR  49          HG22      THR  49  -2.928  10.298  -3.693
  345    H    LEU  50           HN       LEU  50  -1.209   7.199   0.063
  346    HA   LEU  50           HA       LEU  50  -3.166   6.702   2.233
  347   1HB   LEU  50           HB2      LEU  50  -1.846   4.978   2.750
  348   2HB   LEU  50           HB1      LEU  50  -0.835   5.379   1.376
  349    HG   LEU  50           HG       LEU  50  -0.408   6.814   3.980
  350   1HD1  LEU  50          HD11      LEU  50   0.348   4.019   3.218
  351   2HD1  LEU  50          HD13      LEU  50   1.260   4.939   4.415
  352   3HD1  LEU  50          HD12      LEU  50  -0.445   4.572   4.691
  353   1HD2  LEU  50          HD23      LEU  50   0.975   6.387   1.407
  354   2HD2  LEU  50          HD22      LEU  50   1.159   7.701   2.571
  355   3HD2  LEU  50          HD21      LEU  50   2.007   6.175   2.822
  356    H    SER  51           HN       SER  51  -2.299   7.408   4.497
  357    HA   SER  51           HA       SER  51  -1.426  10.249   4.218
  358   1HB   SER  51           HB2      SER  51  -3.658   9.268   5.520
  359   2HB   SER  51           HB1      SER  51  -2.485   9.310   6.795
  360    HG   SER  51           HG       SER  51  -2.267  11.553   5.376
  361    H    HIS  52           HN       HIS  52  -0.833   7.168   5.773
  362    HA   HIS  52           HA       HIS  52   1.876   8.017   6.501
  363   1HB   HIS  52           HB2      HIS  52   1.580   7.616   8.903
  364   2HB   HIS  52           HB1      HIS  52   0.487   8.893   8.366
  365    HD1  HIS  52           HD1      HIS  52   0.303   6.262  10.575
  366    HD2  HIS  52           HD2      HIS  52  -2.048   7.179   7.243
  367    HE1  HIS  52           HE1      HIS  52  -1.874   5.000  10.852
  368    H    PHE  53           HN       PHE  53   3.135   6.230   7.292
  369    HA   PHE  53           HA       PHE  53   2.328   3.652   6.192
  370   1HB   PHE  53           HB2      PHE  53   4.743   4.614   7.741
  371   2HB   PHE  53           HB1      PHE  53   4.537   2.924   7.290
  372    HD1  PHE  53           HD2      PHE  53   3.991   6.239   5.612
  373    HD2  PHE  53           HD1      PHE  53   5.714   2.311   5.389
  374    HE1  PHE  53           HE2      PHE  53   4.834   6.739   3.339
  375    HE2  PHE  53           HE1      PHE  53   6.558   2.810   3.111
  376    HZ   PHE  53           HZ       PHE  53   6.120   5.026   2.086
  377    H    GLY  54           HN       GLY  54   3.279   1.853   8.138
  378   1HA   GLY  54           HA2      GLY  54   2.579   0.721  10.058
  379   2HA   GLY  54           HA1      GLY  54   2.273   2.286  10.752
  380    H    LYS  55           HN       LYS  55   0.415   0.986  11.684
  381    HA   LYS  55           HA       LYS  55  -1.870   0.689   9.824
  382   1HB   LYS  55           HB2      LYS  55  -2.264   0.262  12.740
  383   2HB   LYS  55           HB1      LYS  55  -2.792  -0.727  11.378
  384   1HG   LYS  55           HG2      LYS  55  -0.116  -1.074  11.179
  385   2HG   LYS  55           HG1      LYS  55  -0.256  -0.831  12.919
  386   1HD   LYS  55           HD2      LYS  55  -2.295  -2.532  12.607
  387   2HD   LYS  55           HD1      LYS  55  -1.327  -3.038  11.222
  388   1HE   LYS  55           HE2      LYS  55  -0.145  -4.292  12.683
  389   2HE   LYS  55           HE1      LYS  55   0.549  -2.774  13.253
  390   1HZ   LYS  55           HZ3      LYS  55  -1.978  -3.091  14.414
  391   2HZ   LYS  55           HZ2      LYS  55  -1.116  -4.538  14.637
  392   3HZ   LYS  55           HZ1      LYS  55  -0.465  -3.066  15.181
  393    H    CYS  56           HN       CYS  56  -4.000   1.619  10.672
  394    HA   CYS  56           HA       CYS  56  -3.670   4.467  11.016
  395   1HB   CYS  56           HB2      CYS  56  -6.044   2.608  10.990
  396   2HB   CYS  56           HB1      CYS  56  -6.233   4.322  11.364
   
  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           HT1      LEU   1   9.385  17.935   6.638
    2   2H    LEU   1           HT3      LEU   1   8.704  19.300   5.897
    3   3H    LEU   1           HT2      LEU   1   8.078  18.734   7.371
    4    HA   LEU   1           HA       LEU   1   6.537  17.831   5.999
    5   1HB   LEU   1           HB2      LEU   1   8.468  18.557   4.048
    6   2HB   LEU   1           HB1      LEU   1   8.068  16.863   3.764
    7    HG   LEU   1           HG       LEU   1   5.590  17.875   4.232
    8   1HD1  LEU   1          HD12      LEU   1   7.150  20.162   4.037
    9   2HD1  LEU   1          HD11      LEU   1   6.478  19.993   2.414
   10   3HD1  LEU   1          HD13      LEU   1   5.403  20.089   3.808
   11   1HD2  LEU   1          HD21      LEU   1   7.129  17.782   1.618
   12   2HD2  LEU   1          HD23      LEU   1   6.165  16.485   2.325
   13   3HD2  LEU   1          HD22      LEU   1   5.376  17.944   1.725
   14    H    ALA   2           HN       ALA   2   6.984  15.473   4.395
   15    HA   ALA   2           HA       ALA   2   8.515  13.664   6.176
   16   1HB   ALA   2           HB2      ALA   2   5.677  13.939   6.298
   17   2HB   ALA   2           HB1      ALA   2   6.034  12.373   5.568
   18   3HB   ALA   2           HB3      ALA   2   6.693  12.778   7.153
   19    H    ALA   3           HN       ALA   3   9.456  12.011   5.016
   20    HA   ALA   3           HA       ALA   3   8.966  11.993   2.097
   21   1HB   ALA   3           HB1      ALA   3  11.179  11.252   3.890
   22   2HB   ALA   3           HB3      ALA   3  10.917  10.108   2.573
   23   3HB   ALA   3           HB2      ALA   3  11.226  11.808   2.217
   24    H    VAL   4           HN       VAL   4   6.793  10.990   2.429
   25    HA   VAL   4           HA       VAL   4   7.059   8.026   2.746
   26    HB   VAL   4           HB       VAL   4   4.747   8.037   3.690
   27   1HG1  VAL   4          HG11      VAL   4   7.106   8.531   4.971
   28   2HG1  VAL   4          HG13      VAL   4   6.159   9.933   5.472
   29   3HG1  VAL   4          HG12      VAL   4   5.567   8.304   5.802
   30   1HG2  VAL   4          HG23      VAL   4   4.901  10.786   2.825
   31   2HG2  VAL   4          HG22      VAL   4   3.501   9.892   3.417
   32   3HG2  VAL   4          HG21      VAL   4   4.560  10.725   4.553
   33    H    SER   5           HN       SER   5   7.303   8.071   0.366
   34    HA   SER   5           HA       SER   5   4.639   8.108  -0.946
   35   1HB   SER   5           HB2      SER   5   6.983   9.333  -2.376
   36   2HB   SER   5           HB1      SER   5   5.263   9.549  -2.684
   37    HG   SER   5           HG       SER   5   5.221  11.084  -1.247
   38    H    VAL   6           HN       VAL   6   4.747   5.825  -1.123
   39    HA   VAL   6           HA       VAL   6   7.108   4.626  -2.428
   40    HB   VAL   6           HB       VAL   6   5.691   3.595  -0.486
   41   1HG1  VAL   6          HG12      VAL   6   4.047   2.795  -2.908
   42   2HG1  VAL   6          HG11      VAL   6   3.861   2.139  -1.281
   43   3HG1  VAL   6          HG13      VAL   6   3.502   3.838  -1.593
   44   1HG2  VAL   6          HG22      VAL   6   7.535   2.457  -1.709
   45   2HG2  VAL   6          HG21      VAL   6   6.240   1.342  -1.273
   46   3HG2  VAL   6          HG23      VAL   6   6.376   1.932  -2.929
   47    H    ASP   7           HN       ASP   7   6.674   3.122  -4.342
   48    HA   ASP   7           HA       ASP   7   4.705   4.450  -6.160
   49   1HB   ASP   7           HB2      ASP   7   7.157   4.576  -6.761
   50   2HB   ASP   7           HB1      ASP   7   7.133   2.823  -6.951
   51    H    CYS   8           HN       CYS   8   3.455   3.102  -7.572
   52    HA   CYS   8           HA       CYS   8   3.444   0.198  -6.906
   53   1HB   CYS   8           HB2      CYS   8   0.958   1.909  -7.195
   54   2HB   CYS   8           HB1      CYS   8   1.024   0.208  -6.733
   55    H    SER   9           HN       SER   9   4.715   0.878  -9.140
   56    HA   SER   9           HA       SER   9   2.821   1.059 -11.393
   57   1HB   SER   9           HB2      SER   9   4.871   2.347 -11.582
   58   2HB   SER   9           HB1      SER   9   5.845   0.910 -11.284
   59    HG   SER   9           HG       SER   9   5.620   1.465 -13.531
   60    H    GLU  10           HN       GLU  10   4.395  -1.363  -9.574
   61    HA   GLU  10           HA       GLU  10   4.209  -3.350 -11.774
   62   1HB   GLU  10           HB2      GLU  10   5.075  -3.970  -8.957
   63   2HB   GLU  10           HB1      GLU  10   5.566  -4.750 -10.462
   64   1HG   GLU  10           HG2      GLU  10   7.382  -3.415 -10.464
   65   2HG   GLU  10           HG1      GLU  10   6.300  -2.055 -10.761
   66    H    TYR  11           HN       TYR  11   2.100  -2.025  -9.681
   67    HA   TYR  11           HA       TYR  11   0.774  -4.528  -8.877
   68   1HB   TYR  11           HB2      TYR  11   0.313  -1.607  -8.207
   69   2HB   TYR  11           HB1      TYR  11  -0.686  -2.915  -7.581
   70    HD1  TYR  11           HD2      TYR  11   2.645  -1.369  -7.545
   71    HD2  TYR  11           HD1      TYR  11   0.217  -4.536  -5.957
   72    HE1  TYR  11           HE2      TYR  11   4.346  -1.793  -5.794
   73    HE2  TYR  11           HE1      TYR  11   1.928  -4.965  -4.201
   74    HH   TYR  11           HH       TYR  11   5.030  -3.286  -4.219
   75    HA   PRO  12           HA       PRO  12  -1.306  -4.537  -8.043
   76   1HB   PRO  12           HB2      PRO  12  -3.332  -6.320  -8.610
   77   2HB   PRO  12           HB1      PRO  12  -3.607  -4.621  -8.193
   78   1HG   PRO  12           HG2      PRO  12  -3.892  -5.953 -10.820
   79   2HG   PRO  12           HG1      PRO  12  -4.558  -4.405 -10.274
   80   1HD   PRO  12           HD2      PRO  12  -2.241  -4.836 -11.908
   81   2HD   PRO  12           HD1      PRO  12  -2.883  -3.292 -11.408
   82    H    LYS  13           HN       LYS  13  -0.273  -6.339  -7.218
   83    HA   LYS  13           HA       LYS  13   0.858  -8.234  -9.208
   84   1HB   LYS  13           HB2      LYS  13   1.649  -7.252  -6.501
   85   2HB   LYS  13           HB1      LYS  13   2.162  -8.869  -6.972
   86   1HG   LYS  13           HG2      LYS  13   3.137  -7.927  -9.059
   87   2HG   LYS  13           HG1      LYS  13   2.685  -6.312  -8.509
   88   1HD   LYS  13           HD2      LYS  13   4.360  -6.222  -6.962
   89   2HD   LYS  13           HD1      LYS  13   4.211  -7.933  -6.557
   90   1HE   LYS  13           HE2      LYS  13   5.119  -8.025  -9.158
   91   2HE   LYS  13           HE1      LYS  13   5.969  -6.622  -8.513
   92   1HZ   LYS  13           HZ2      LYS  13   6.022  -8.628  -6.574
   93   2HZ   LYS  13           HZ1      LYS  13   6.488  -9.337  -8.046
   94   3HZ   LYS  13           HZ3      LYS  13   7.327  -7.987  -7.453
   95    HA   PRO  14           HA       PRO  14  -1.857 -11.373  -7.640
   96   1HB   PRO  14           HB2      PRO  14  -0.713 -13.471  -9.001
   97   2HB   PRO  14           HB1      PRO  14  -1.788 -12.282  -9.756
   98   1HG   PRO  14           HG2      PRO  14   1.165 -12.561 -10.000
   99   2HG   PRO  14           HG1      PRO  14   0.012 -11.831 -11.127
  100   1HD   PRO  14           HD2      PRO  14   1.733 -10.443  -9.378
  101   2HD   PRO  14           HD1      PRO  14   0.390  -9.747 -10.256
  102    H    ALA  15           HN       ALA  15   1.022 -10.737  -6.477
  103    HA   ALA  15           HA       ALA  15   0.987 -12.965  -4.560
  104   1HB   ALA  15           HB1      ALA  15   3.064 -12.637  -6.660
  105   2HB   ALA  15           HB3      ALA  15   3.656 -12.963  -5.033
  106   3HB   ALA  15           HB2      ALA  15   2.547 -14.092  -5.809
  107    H    CYS  16           HN       CYS  16   1.341 -12.067  -2.581
  108    HA   CYS  16           HA       CYS  16   2.811  -9.461  -2.497
  109   1HB   CYS  16           HB2      CYS  16   0.635 -10.489  -0.649
  110   2HB   CYS  16           HB1      CYS  16   1.461  -8.938  -0.495
  111    H    THR  17           HN       THR  17   4.490  -9.276  -1.017
  112    HA   THR  17           HA       THR  17   5.816 -11.590  -0.072
  113    HB   THR  17           HB       THR  17   6.921  -9.924   1.562
  114    HG1  THR  17           HG1      THR  17   4.868  -8.555   1.137
  115   1HG2  THR  17          HG22      THR  17   7.823 -10.544  -0.677
  116   2HG2  THR  17          HG21      THR  17   6.897  -9.219  -1.383
  117   3HG2  THR  17          HG23      THR  17   8.189  -8.876  -0.233
  118    H    LEU  18           HN       LEU  18   6.303 -11.384   2.615
  119    HA   LEU  18           HA       LEU  18   3.578 -11.655   3.815
  120   1HB   LEU  18           HB2      LEU  18   4.698 -13.372   5.353
  121   2HB   LEU  18           HB1      LEU  18   4.446 -13.875   3.682
  122    HG   LEU  18           HG       LEU  18   6.981 -12.496   3.967
  123   1HD1  LEU  18          HD12      LEU  18   6.325 -13.910   6.256
  124   2HD1  LEU  18          HD11      LEU  18   7.242 -15.085   5.313
  125   3HD1  LEU  18          HD13      LEU  18   7.964 -13.529   5.724
  126   1HD2  LEU  18          HD23      LEU  18   6.063 -14.165   2.195
  127   2HD2  LEU  18          HD22      LEU  18   7.753 -14.319   2.677
  128   3HD2  LEU  18          HD21      LEU  18   6.542 -15.415   3.343
  129    H    GLU  19           HN       GLU  19   6.841 -10.427   4.149
  130    HA   GLU  19           HA       GLU  19   7.055  -9.853   6.847
  131   1HB   GLU  19           HB2      GLU  19   7.735  -8.173   4.429
  132   2HB   GLU  19           HB1      GLU  19   8.127  -7.658   6.071
  133   1HG   GLU  19           HG2      GLU  19   9.865  -9.072   6.185
  134   2HG   GLU  19           HG1      GLU  19   8.880 -10.427   5.636
  135    H    TYR  20           HN       TYR  20   5.722  -8.851   8.213
  136    HA   TYR  20           HA       TYR  20   3.422  -7.398   7.128
  137   1HB   TYR  20           HB2      TYR  20   3.151  -8.925   9.025
  138   2HB   TYR  20           HB1      TYR  20   4.137  -7.863  10.026
  139    HD1  TYR  20           HD2      TYR  20   1.586  -7.004   7.420
  140    HD2  TYR  20           HD1      TYR  20   2.620  -6.938  11.591
  141    HE1  TYR  20           HE2      TYR  20  -0.425  -5.613   7.892
  142    HE2  TYR  20           HE1      TYR  20   0.618  -5.553  12.064
  143    HH   TYR  20           HH       TYR  20  -1.806  -4.921   9.611
  144    H    ARG  21           HN       ARG  21   3.812  -5.506   6.447
  145    HA   ARG  21           HA       ARG  21   4.934  -3.443   8.279
  146   1HB   ARG  21           HB2      ARG  21   5.526  -3.408   5.310
  147   2HB   ARG  21           HB1      ARG  21   6.320  -2.498   6.595
  148   1HG   ARG  21           HG2      ARG  21   6.780  -5.057   7.424
  149   2HG   ARG  21           HG1      ARG  21   6.802  -5.265   5.672
  150   1HD   ARG  21           HD2      ARG  21   9.017  -4.682   6.047
  151   2HD   ARG  21           HD1      ARG  21   8.315  -3.090   5.763
  152    HE   ARG  21           HE       ARG  21   8.099  -3.593   8.535
  153   1HH1  ARG  21          HH11      ARG  21  10.280  -2.661   6.062
  154   2HH1  ARG  21          HH12      ARG  21  11.569  -2.269   7.151
  155   1HH2  ARG  21          HH21      ARG  21   9.862  -3.329   9.977
  156   2HH2  ARG  21          HH22      ARG  21  11.333  -2.648   9.368
  157    HA   PRO  22           HA       PRO  22   0.672  -2.828   6.588
  158   1HB   PRO  22           HB2      PRO  22  -0.150  -1.537   8.915
  159   2HB   PRO  22           HB1      PRO  22  -0.301  -3.295   8.600
  160   1HG   PRO  22           HG2      PRO  22   1.722  -1.811  10.250
  161   2HG   PRO  22           HG1      PRO  22   1.035  -3.427  10.506
  162   1HD   PRO  22           HD2      PRO  22   3.557  -3.026   9.484
  163   2HD   PRO  22           HD1      PRO  22   2.568  -4.451   9.090
  164    H    LEU  23           HN       LEU  23   0.455  -1.113   5.186
  165    HA   LEU  23           HA       LEU  23   1.436   1.513   6.212
  166   1HB   LEU  23           HB2      LEU  23   0.682   0.614   3.406
  167   2HB   LEU  23           HB1      LEU  23   1.365   2.178   3.827
  168    HG   LEU  23           HG       LEU  23   3.097   0.375   5.029
  169   1HD1  LEU  23          HD11      LEU  23   1.831  -0.795   2.601
  170   2HD1  LEU  23          HD13      LEU  23   3.577  -0.978   2.766
  171   3HD1  LEU  23          HD12      LEU  23   2.503  -1.598   4.019
  172   1HD2  LEU  23          HD21      LEU  23   3.701   2.412   3.776
  173   2HD2  LEU  23          HD23      LEU  23   4.648   1.023   3.243
  174   3HD2  LEU  23          HD22      LEU  23   3.294   1.593   2.266
  175    H    CYS  24           HN       CYS  24  -0.196   3.338   6.054
  176    HA   CYS  24           HA       CYS  24  -2.985   2.238   6.079
  177   1HB   CYS  24           HB2      CYS  24  -1.618   3.761   8.036
  178   2HB   CYS  24           HB1      CYS  24  -2.836   4.819   7.330
  179    H    GLY  25           HN       GLY  25  -4.549   3.255   4.829
  180   1HA   GLY  25           HA2      GLY  25  -3.570   5.267   2.895
  181   2HA   GLY  25           HA1      GLY  25  -4.872   4.258   2.680
  182    H    SER  26           HN       SER  26  -4.909   6.930   2.124
  183    HA   SER  26           HA       SER  26  -5.896   8.632   4.181
  184   1HB   SER  26           HB2      SER  26  -7.088   9.494   1.795
  185   2HB   SER  26           HB1      SER  26  -5.548  10.044   2.441
  186    HG   SER  26           HG       SER  26  -5.792   8.951   0.206
  187    H    ASP  27           HN       ASP  27  -7.566   6.406   1.970
  188    HA   ASP  27           HA       ASP  27 -10.233   7.212   2.543
  189   1HB   ASP  27           HB2      ASP  27 -10.921   5.138   1.614
  190   2HB   ASP  27           HB1      ASP  27  -9.411   5.516   0.785
  191    H    ASN  28           HN       ASN  28  -7.894   5.789   4.542
  192    HA   ASN  28           HA       ASN  28  -8.057   5.511   6.881
  193   1HB   ASN  28           HB2      ASN  28 -11.028   5.055   6.580
  194   2HB   ASN  28           HB1      ASN  28 -10.126   5.512   8.022
  195   1HD2  ASN  28          HD22      ASN  28 -11.709   8.459   5.981
  196   2HD2  ASN  28          HD21      ASN  28 -12.298   6.870   6.087
  197    H    LYS  29           HN       LYS  29  -8.256   3.550   4.430
  198    HA   LYS  29           HA       LYS  29  -8.985   1.125   5.965
  199   1HB   LYS  29           HB2      LYS  29  -9.982   1.090   3.820
  200   2HB   LYS  29           HB1      LYS  29  -8.525   1.676   3.028
  201   1HG   LYS  29           HG2      LYS  29  -7.370  -0.375   3.472
  202   2HG   LYS  29           HG1      LYS  29  -8.706  -0.981   4.451
  203   1HD   LYS  29           HD2      LYS  29  -8.822  -1.978   2.218
  204   2HD   LYS  29           HD1      LYS  29 -10.181  -0.876   2.442
  205   1HE   LYS  29           HE2      LYS  29  -9.187   0.805   1.096
  206   2HE   LYS  29           HE1      LYS  29  -7.599   0.041   1.172
  207   1HZ   LYS  29           HZ2      LYS  29  -9.535  -1.749   0.123
  208   2HZ   LYS  29           HZ1      LYS  29  -9.514  -0.308  -0.777
  209   3HZ   LYS  29           HZ3      LYS  29  -8.087  -1.204  -0.578
  210    H    THR  30           HN       THR  30  -7.384  -0.102   6.782
  211    HA   THR  30           HA       THR  30  -4.602   0.731   6.288
  212    HB   THR  30           HB       THR  30  -5.722  -1.393   8.140
  213    HG1  THR  30           HG1      THR  30  -6.261   0.347   9.182
  214   1HG2  THR  30          HG21      THR  30  -3.152  -1.218   7.217
  215   2HG2  THR  30          HG23      THR  30  -3.072  -0.186   8.643
  216   3HG2  THR  30          HG22      THR  30  -3.590  -1.863   8.799
  217    H    TYR  31           HN       TYR  31  -3.248  -0.323   4.949
  218    HA   TYR  31           HA       TYR  31  -4.198  -2.848   3.752
  219   1HB   TYR  31           HB2      TYR  31  -1.786  -2.074   2.521
  220   2HB   TYR  31           HB1      TYR  31  -3.389  -1.979   1.857
  221    HD1  TYR  31           HD1      TYR  31  -4.679   0.219   1.885
  222    HD2  TYR  31           HD2      TYR  31  -0.759  -0.245   3.454
  223    HE1  TYR  31           HE1      TYR  31  -4.398   2.668   1.815
  224    HE2  TYR  31           HE2      TYR  31  -0.462   2.231   3.380
  225    HH   TYR  31           HH       TYR  31  -1.258   4.126   2.645
  226    H    GLY  32           HN       GLY  32  -3.217  -4.770   4.250
  227   1HA   GLY  32           HA2      GLY  32  -1.807  -5.178   6.562
  228   2HA   GLY  32           HA1      GLY  32  -1.683  -6.274   5.200
  229    H    ASN  33           HN       ASN  33  -0.290  -4.471   3.406
  230    HA   ASN  33           HA       ASN  33   2.038  -3.473   4.782
  231   1HB   ASN  33           HB2      ASN  33   3.652  -5.123   3.996
  232   2HB   ASN  33           HB1      ASN  33   2.401  -5.942   4.925
  233   1HD2  ASN  33          HD22      ASN  33   2.238  -8.130   2.117
  234   2HD2  ASN  33          HD21      ASN  33   2.803  -7.957   3.710
  235    H    LYS  34           HN       LYS  34   3.866  -3.887   2.620
  236    HA   LYS  34           HA       LYS  34   3.185  -1.663   1.037
  237   1HB   LYS  34           HB2      LYS  34   5.133  -2.107  -0.222
  238   2HB   LYS  34           HB1      LYS  34   5.491  -2.813   1.351
  239   1HG   LYS  34           HG2      LYS  34   4.771  -5.035   0.500
  240   2HG   LYS  34           HG1      LYS  34   4.481  -4.309  -1.084
  241   1HD   LYS  34           HD2      LYS  34   7.161  -3.964   0.225
  242   2HD   LYS  34           HD1      LYS  34   6.787  -5.475  -0.605
  243   1HE   LYS  34           HE2      LYS  34   7.560  -4.339  -2.433
  244   2HE   LYS  34           HE1      LYS  34   5.916  -3.701  -2.458
  245   1HZ   LYS  34           HZ2      LYS  34   7.862  -2.349  -0.751
  246   2HZ   LYS  34           HZ1      LYS  34   8.018  -2.134  -2.429
  247   3HZ   LYS  34           HZ3      LYS  34   6.574  -1.704  -1.652
  248    H    CYS  35           HN       CYS  35   2.966  -5.151   0.152
  249    HA   CYS  35           HA       CYS  35   1.793  -4.692  -2.386
  250   1HB   CYS  35           HB2      CYS  35   2.726  -6.891  -1.496
  251   2HB   CYS  35           HB1      CYS  35   1.210  -7.069  -0.611
  252    H    ASN  36           HN       ASN  36   0.146  -5.696   0.635
  253    HA   ASN  36           HA       ASN  36  -2.495  -5.383  -0.233
  254   1HB   ASN  36           HB2      ASN  36  -1.810  -4.319   2.485
  255   2HB   ASN  36           HB1      ASN  36  -3.138  -5.370   1.999
  256   1HD2  ASN  36          HD22      ASN  36  -0.618  -8.170   1.701
  257   2HD2  ASN  36          HD21      ASN  36  -1.540  -7.314   0.571
  258    H    PHE  37           HN       PHE  37  -0.089  -2.935   0.372
  259    HA   PHE  37           HA       PHE  37  -2.042  -0.775   0.549
  260   1HB   PHE  37           HB2      PHE  37   0.066  -0.430   1.637
  261   2HB   PHE  37           HB1      PHE  37   0.964  -0.678   0.294
  262    HD1  PHE  37           HD1      PHE  37  -2.187   1.085   0.582
  263    HD2  PHE  37           HD2      PHE  37   1.975   1.424  -0.195
  264    HE1  PHE  37           HE1      PHE  37  -2.547   3.454  -0.025
  265    HE2  PHE  37           HE2      PHE  37   1.669   3.816  -0.834
  266    HZ   PHE  37           HZ       PHE  37  -0.607   4.838  -0.754
  267    H    CYS  38           HN       CYS  38   0.547  -1.318  -1.745
  268    HA   CYS  38           HA       CYS  38  -0.278   0.430  -3.741
  269   1HB   CYS  38           HB2      CYS  38   1.247  -2.160  -3.835
  270   2HB   CYS  38           HB1      CYS  38   0.815  -1.326  -5.327
  271    H    ASN  39           HN       ASN  39  -1.672  -2.603  -2.790
  272    HA   ASN  39           HA       ASN  39  -3.213  -2.968  -5.241
  273   1HB   ASN  39           HB2      ASN  39  -3.053  -4.249  -2.541
  274   2HB   ASN  39           HB1      ASN  39  -4.551  -4.435  -3.436
  275   1HD2  ASN  39          HD22      ASN  39  -1.378  -6.593  -4.511
  276   2HD2  ASN  39          HD21      ASN  39  -1.405  -5.666  -3.099
  277    H    ALA  40           HN       ALA  40  -3.678  -1.612  -2.008
  278    HA   ALA  40           HA       ALA  40  -6.425  -0.911  -2.219
  279   1HB   ALA  40           HB1      ALA  40  -4.848  -0.740  -0.162
  280   2HB   ALA  40           HB3      ALA  40  -4.323   0.798  -0.846
  281   3HB   ALA  40           HB2      ALA  40  -6.007   0.571  -0.376
  282    H    VAL  41           HN       VAL  41  -3.560   0.337  -3.677
  283    HA   VAL  41           HA       VAL  41  -4.756   2.890  -4.508
  284    HB   VAL  41           HB       VAL  41  -2.169   1.501  -5.285
  285   1HG1  VAL  41          HG13      VAL  41  -2.967   3.110  -7.003
  286   2HG1  VAL  41          HG12      VAL  41  -3.057   4.363  -5.764
  287   3HG1  VAL  41          HG11      VAL  41  -1.497   3.669  -6.206
  288   1HG2  VAL  41          HG23      VAL  41  -2.732   2.433  -2.852
  289   2HG2  VAL  41          HG22      VAL  41  -1.140   2.660  -3.572
  290   3HG2  VAL  41          HG21      VAL  41  -2.319   3.971  -3.609
  291    H    VAL  42           HN       VAL  42  -3.577  -0.044  -6.130
  292    HA   VAL  42           HA       VAL  42  -4.614   0.612  -8.712
  293    HB   VAL  42           HB       VAL  42  -3.988  -1.605  -9.318
  294   1HG1  VAL  42          HG12      VAL  42  -2.298  -0.003  -7.724
  295   2HG1  VAL  42          HG11      VAL  42  -2.051  -1.663  -7.179
  296   3HG1  VAL  42          HG13      VAL  42  -1.811  -1.246  -8.877
  297   1HG2  VAL  42          HG22      VAL  42  -4.803  -2.187  -6.534
  298   2HG2  VAL  42          HG21      VAL  42  -4.948  -3.187  -7.977
  299   3HG2  VAL  42          HG23      VAL  42  -3.413  -3.102  -7.114
  300    H    GLU  43           HN       GLU  43  -6.180  -0.352  -5.846
  301    HA   GLU  43           HA       GLU  43  -8.445  -1.600  -7.281
  302   1HB   GLU  43           HB2      GLU  43  -7.354  -2.163  -4.848
  303   2HB   GLU  43           HB1      GLU  43  -8.675  -1.108  -4.372
  304   1HG   GLU  43           HG2      GLU  43  -9.688  -2.854  -6.368
  305   2HG   GLU  43           HG1      GLU  43  -8.795  -3.846  -5.216
  306    H    SER  44           HN       SER  44  -7.455   1.440  -6.006
  307    HA   SER  44           HA       SER  44 -10.276   2.411  -6.101
  308   1HB   SER  44           HB2      SER  44  -9.453   3.047  -4.013
  309   2HB   SER  44           HB1      SER  44  -7.822   3.305  -4.625
  310    HG   SER  44           HG       SER  44  -9.716   5.093  -4.273
  311    H    ASN  45           HN       ASN  45  -8.303   1.968  -8.389
  312    HA   ASN  45           HA       ASN  45  -8.063   3.061 -10.466
  313   1HB   ASN  45           HB2      ASN  45 -10.083   4.560  -9.302
  314   2HB   ASN  45           HB1      ASN  45  -8.817   5.747  -9.581
  315   1HD2  ASN  45          HD22      ASN  45  -8.817   5.046 -13.192
  316   2HD2  ASN  45          HD21      ASN  45  -7.684   5.167 -11.933
  317    H    GLY  46           HN       GLY  46  -6.648   3.733  -7.577
  318   1HA   GLY  46           HA2      GLY  46  -4.400   4.300  -7.197
  319   2HA   GLY  46           HA1      GLY  46  -4.264   4.871  -8.850
  320    H    THR  47           HN       THR  47  -7.026   6.077  -7.266
  321    HA   THR  47           HA       THR  47  -5.804   8.759  -7.139
  322    HB   THR  47           HB       THR  47  -8.153   8.322  -8.022
  323    HG1  THR  47           HG1      THR  47  -8.303  10.018  -5.800
  324   1HG2  THR  47          HG23      THR  47  -8.394   6.923  -5.623
  325   2HG2  THR  47          HG22      THR  47  -9.333   8.393  -5.359
  326   3HG2  THR  47          HG21      THR  47  -9.710   7.339  -6.722
  327    H    LEU  48           HN       LEU  48  -6.042   6.123  -5.081
  328    HA   LEU  48           HA       LEU  48  -6.481   7.578  -2.611
  329   1HB   LEU  48           HB2      LEU  48  -7.126   5.376  -2.356
  330   2HB   LEU  48           HB1      LEU  48  -5.923   4.786  -3.498
  331    HG   LEU  48           HG       LEU  48  -4.777   5.955  -1.065
  332   1HD1  LEU  48          HD11      LEU  48  -6.795   4.953  -0.129
  333   2HD1  LEU  48          HD13      LEU  48  -6.410   3.432  -0.934
  334   3HD1  LEU  48          HD12      LEU  48  -5.357   4.045   0.342
  335   1HD2  LEU  48          HD23      LEU  48  -4.107   4.128  -3.109
  336   2HD2  LEU  48          HD22      LEU  48  -3.101   4.611  -1.743
  337   3HD2  LEU  48          HD21      LEU  48  -4.146   3.197  -1.613
  338    H    THR  49           HN       THR  49  -4.796   8.009  -1.074
  339    HA   THR  49           HA       THR  49  -2.043   7.880  -2.219
  340    HB   THR  49           HB       THR  49  -1.563  10.035  -1.472
  341    HG1  THR  49           HG1      THR  49  -2.785  11.050   0.133
  342   1HG2  THR  49          HG23      THR  49  -3.797   9.640  -3.019
  343   2HG2  THR  49          HG22      THR  49  -4.375  10.752  -1.777
  344   3HG2  THR  49          HG21      THR  49  -2.985  11.185  -2.774
  345    H    LEU  50           HN       LEU  50  -0.467   7.278  -0.857
  346    HA   LEU  50           HA       LEU  50  -1.059   5.576   1.311
  347   1HB   LEU  50           HB2      LEU  50   1.055   5.403   0.195
  348   2HB   LEU  50           HB1      LEU  50   1.434   7.094   0.487
  349    HG   LEU  50           HG       LEU  50   1.168   6.317   3.039
  350   1HD1  LEU  50          HD13      LEU  50   0.573   3.986   2.330
  351   2HD1  LEU  50          HD12      LEU  50   2.172   3.842   1.603
  352   3HD1  LEU  50          HD11      LEU  50   2.011   4.056   3.346
  353   1HD2  LEU  50          HD21      LEU  50   3.133   7.342   1.877
  354   2HD2  LEU  50          HD23      LEU  50   3.587   6.123   3.068
  355   3HD2  LEU  50          HD22      LEU  50   3.609   5.728   1.349
  356    H    SER  51           HN       SER  51  -1.803   6.195   3.284
  357    HA   SER  51           HA       SER  51  -1.827   8.973   4.134
  358   1HB   SER  51           HB2      SER  51  -3.547   7.273   4.628
  359   2HB   SER  51           HB1      SER  51  -2.601   6.516   5.802
  360    HG   SER  51           HG       SER  51  -3.638   7.993   6.966
  361    H    HIS  52           HN       HIS  52   0.148   6.244   4.609
  362    HA   HIS  52           HA       HIS  52   2.447   7.406   5.481
  363   1HB   HIS  52           HB2      HIS  52   2.323   7.247   8.022
  364   2HB   HIS  52           HB1      HIS  52   1.441   8.591   7.304
  365    HD1  HIS  52           HD1      HIS  52   0.974   5.328   9.056
  366    HD2  HIS  52           HD2      HIS  52  -1.433   8.319   7.417
  367    HE1  HIS  52           HE1      HIS  52  -1.373   4.862   9.866
  368    H    PHE  53           HN       PHE  53   3.590   5.909   7.346
  369    HA   PHE  53           HA       PHE  53   3.215   3.152   6.345
  370   1HB   PHE  53           HB2      PHE  53   5.382   4.453   8.014
  371   2HB   PHE  53           HB1      PHE  53   5.362   2.741   7.596
  372    HD1  PHE  53           HD2      PHE  53   5.010   6.097   5.975
  373    HD2  PHE  53           HD1      PHE  53   6.418   2.055   5.627
  374    HE1  PHE  53           HE2      PHE  53   5.979   6.627   3.763
  375    HE2  PHE  53           HE1      PHE  53   7.391   2.586   3.407
  376    HZ   PHE  53           HZ       PHE  53   7.171   4.874   2.474
  377    H    GLY  54           HN       GLY  54   3.089   1.377   7.855
  378   1HA   GLY  54           HA2      GLY  54   2.581   0.365   9.958
  379   2HA   GLY  54           HA1      GLY  54   2.406   1.927  10.652
  380    H    LYS  55           HN       LYS  55   0.423   0.864  11.582
  381    HA   LYS  55           HA       LYS  55  -1.855   0.709   9.712
  382   1HB   LYS  55           HB2      LYS  55  -2.509   0.493  12.554
  383   2HB   LYS  55           HB1      LYS  55  -2.817  -0.652  11.253
  384   1HG   LYS  55           HG2      LYS  55  -0.338  -1.274  11.405
  385   2HG   LYS  55           HG1      LYS  55  -0.305  -0.361  12.913
  386   1HD   LYS  55           HD2      LYS  55  -0.717  -2.767  13.325
  387   2HD   LYS  55           HD1      LYS  55  -2.090  -1.782  13.832
  388   1HE   LYS  55           HE2      LYS  55  -2.170  -2.694  11.017
  389   2HE   LYS  55           HE1      LYS  55  -2.313  -3.972  12.223
  390   1HZ   LYS  55           HZ3      LYS  55  -3.907  -1.935  13.139
  391   2HZ   LYS  55           HZ2      LYS  55  -4.208  -1.990  11.468
  392   3HZ   LYS  55           HZ1      LYS  55  -4.427  -3.380  12.420
  393    H    CYS  56           HN       CYS  56  -3.950   1.768  10.983
  394    HA   CYS  56           HA       CYS  56  -3.249   4.635  11.118
  395   1HB   CYS  56           HB2      CYS  56  -5.847   3.112  10.925
  396   2HB   CYS  56           HB1      CYS  56  -5.820   4.838  11.289
   
  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   6.062  19.355   2.502
    2   2H    LEU   1           HT1      LEU   1   5.021  18.822   3.735
    3   3H    LEU   1           HT3      LEU   1   6.442  19.662   4.130
    4    HA   LEU   1           HA       LEU   1   7.612  17.801   4.192
    5   1HB   LEU   1           HB2      LEU   1   4.808  16.859   3.886
    6   2HB   LEU   1           HB1      LEU   1   6.071  15.655   3.620
    7    HG   LEU   1           HG       LEU   1   5.385  15.711   5.995
    8   1HD1  LEU   1          HD11      LEU   1   7.828  15.365   5.167
    9   2HD1  LEU   1          HD13      LEU   1   8.117  16.975   5.824
   10   3HD1  LEU   1          HD12      LEU   1   7.570  15.676   6.883
   11   1HD2  LEU   1          HD22      LEU   1   5.005  18.354   5.672
   12   2HD2  LEU   1          HD21      LEU   1   5.323  17.644   7.255
   13   3HD2  LEU   1          HD23      LEU   1   6.634  18.399   6.347
   14    H    ALA   2           HN       ALA   2   7.995  15.585   2.792
   15    HA   ALA   2           HA       ALA   2   8.645  16.588   0.101
   16   1HB   ALA   2           HB3      ALA   2   9.552  14.403   1.855
   17   2HB   ALA   2           HB2      ALA   2   9.453  13.961   0.151
   18   3HB   ALA   2           HB1      ALA   2  10.451  15.325   0.651
   19    H    ALA   3           HN       ALA   3   7.560  13.299   0.913
   20    HA   ALA   3           HA       ALA   3   5.010  13.522  -0.407
   21   1HB   ALA   3           HB3      ALA   3   7.360  13.038  -2.077
   22   2HB   ALA   3           HB2      ALA   3   6.166  11.749  -2.218
   23   3HB   ALA   3           HB1      ALA   3   5.705  13.417  -2.556
   24    H    VAL   4           HN       VAL   4   3.893  11.456  -0.432
   25    HA   VAL   4           HA       VAL   4   5.330   9.242   0.956
   26    HB   VAL   4           HB       VAL   4   2.527  10.172   1.647
   27   1HG1  VAL   4          HG13      VAL   4   3.520   7.690   1.930
   28   2HG1  VAL   4          HG12      VAL   4   4.177   8.415   3.398
   29   3HG1  VAL   4          HG11      VAL   4   2.436   8.409   3.119
   30   1HG2  VAL   4          HG23      VAL   4   4.273  11.800   2.354
   31   2HG2  VAL   4          HG22      VAL   4   3.512  11.007   3.733
   32   3HG2  VAL   4          HG21      VAL   4   5.115  10.502   3.200
   33    H    SER   5           HN       SER   5   5.245   7.585  -0.478
   34    HA   SER   5           HA       SER   5   2.700   6.573  -1.431
   35   1HB   SER   5           HB2      SER   5   2.572   7.799  -3.329
   36   2HB   SER   5           HB1      SER   5   4.199   8.437  -3.108
   37    HG   SER   5           HG       SER   5   3.473   6.745  -4.901
   38    H    VAL   6           HN       VAL   6   3.024   4.528  -2.653
   39    HA   VAL   6           HA       VAL   6   5.766   3.423  -2.217
   40    HB   VAL   6           HB       VAL   6   3.175   1.876  -2.028
   41   1HG1  VAL   6          HG12      VAL   6   6.086   1.277  -1.551
   42   2HG1  VAL   6          HG11      VAL   6   4.846   0.373  -0.681
   43   3HG1  VAL   6          HG13      VAL   6   4.893   0.334  -2.444
   44   1HG2  VAL   6          HG21      VAL   6   4.084   3.798  -0.229
   45   2HG2  VAL   6          HG23      VAL   6   2.950   2.498   0.137
   46   3HG2  VAL   6          HG22      VAL   6   4.671   2.281   0.453
   47    H    ASP   7           HN       ASP   7   4.886   4.626  -4.585
   48    HA   ASP   7           HA       ASP   7   4.249   4.135  -6.871
   49   1HB   ASP   7           HB2      ASP   7   6.651   4.403  -6.818
   50   2HB   ASP   7           HB1      ASP   7   6.869   2.738  -6.275
   51    H    CYS   8           HN       CYS   8   2.459   2.808  -7.138
   52    HA   CYS   8           HA       CYS   8   3.010  -0.134  -7.142
   53   1HB   CYS   8           HB2      CYS   8   0.296   1.108  -6.678
   54   2HB   CYS   8           HB1      CYS   8   0.817  -0.541  -6.330
   55    H    SER   9           HN       SER   9   3.665   0.728  -9.454
   56    HA   SER   9           HA       SER   9   1.324   1.066 -11.230
   57   1HB   SER   9           HB2      SER   9   4.217   1.581 -11.399
   58   2HB   SER   9           HB1      SER   9   3.533   0.893 -12.869
   59    HG   SER   9           HG       SER   9   2.367   3.070 -11.477
   60    H    GLU  10           HN       GLU  10   3.315  -1.417 -10.025
   61    HA   GLU  10           HA       GLU  10   2.643  -3.213 -12.308
   62   1HB   GLU  10           HB2      GLU  10   4.431  -4.051 -10.059
   63   2HB   GLU  10           HB1      GLU  10   4.512  -4.476 -11.769
   64   1HG   GLU  10           HG2      GLU  10   5.348  -1.889 -10.449
   65   2HG   GLU  10           HG1      GLU  10   6.343  -2.993 -11.398
   66    H    TYR  11           HN       TYR  11   0.630  -2.456 -10.306
   67    HA   TYR  11           HA       TYR  11   0.268  -5.057  -8.940
   68   1HB   TYR  11           HB2      TYR  11  -0.491  -2.237  -8.229
   69   2HB   TYR  11           HB1      TYR  11  -1.385  -3.586  -7.535
   70    HD1  TYR  11           HD2      TYR  11   1.936  -1.991  -7.820
   71    HD2  TYR  11           HD1      TYR  11  -0.358  -5.079  -5.912
   72    HE1  TYR  11           HE2      TYR  11   3.783  -2.363  -6.213
   73    HE2  TYR  11           HE1      TYR  11   1.497  -5.453  -4.299
   74    HH   TYR  11           HH       TYR  11   3.463  -3.929  -3.379
   75    HA   PRO  12           HA       PRO  12  -1.724  -5.377  -7.584
   76   1HB   PRO  12           HB2      PRO  12  -3.073  -7.771  -7.748
   77   2HB   PRO  12           HB1      PRO  12  -3.870  -6.219  -7.424
   78   1HG   PRO  12           HG2      PRO  12  -3.784  -7.793  -9.975
   79   2HG   PRO  12           HG1      PRO  12  -5.065  -6.738  -9.349
   80   1HD   PRO  12           HD2      PRO  12  -3.223  -5.988 -11.316
   81   2HD   PRO  12           HD1      PRO  12  -4.172  -4.890 -10.353
   82    H    LYS  13           HN       LYS  13  -0.868  -7.586  -6.696
   83    HA   LYS  13           HA       LYS  13   0.993  -8.793  -8.705
   84   1HB   LYS  13           HB2      LYS  13   1.562  -7.339  -6.283
   85   2HB   LYS  13           HB1      LYS  13   2.137  -8.997  -6.130
   86   1HG   LYS  13           HG2      LYS  13   3.034  -8.552  -8.591
   87   2HG   LYS  13           HG1      LYS  13   2.974  -6.871  -8.060
   88   1HD   LYS  13           HD2      LYS  13   4.536  -7.220  -6.347
   89   2HD   LYS  13           HD1      LYS  13   4.258  -8.963  -6.319
   90   1HE   LYS  13           HE2      LYS  13   5.193  -8.991  -8.709
   91   2HE   LYS  13           HE1      LYS  13   5.760  -7.352  -8.388
   92   1HZ   LYS  13           HZ1      LYS  13   6.539  -8.745  -6.191
   93   2HZ   LYS  13           HZ3      LYS  13   6.786  -9.858  -7.445
   94   3HZ   LYS  13           HZ2      LYS  13   7.534  -8.334  -7.504
   95    HA   PRO  14           HA       PRO  14  -0.729 -12.602  -7.259
   96   1HB   PRO  14           HB2      PRO  14   1.135 -14.271  -8.393
   97   2HB   PRO  14           HB1      PRO  14  -0.149 -13.464  -9.309
   98   1HG   PRO  14           HG2      PRO  14   2.763 -12.829  -9.198
   99   2HG   PRO  14           HG1      PRO  14   1.596 -12.524 -10.496
  100   1HD   PRO  14           HD2      PRO  14   2.566 -10.612  -8.681
  101   2HD   PRO  14           HD1      PRO  14   1.159 -10.418  -9.707
  102    H    ALA  15           HN       ALA  15   1.678 -11.148  -5.789
  103    HA   ALA  15           HA       ALA  15   2.027 -13.264  -3.785
  104   1HB   ALA  15           HB2      ALA  15   3.878 -13.377  -5.703
  105   2HB   ALA  15           HB1      ALA  15   4.581 -12.053  -4.774
  106   3HB   ALA  15           HB3      ALA  15   4.309 -13.619  -4.011
  107    H    CYS  16           HN       CYS  16   2.417 -12.320  -1.735
  108    HA   CYS  16           HA       CYS  16   2.730  -9.361  -1.799
  109   1HB   CYS  16           HB2      CYS  16   0.697 -10.929  -0.605
  110   2HB   CYS  16           HB1      CYS  16   1.679 -10.275   0.704
  111    H    THR  17           HN       THR  17   4.413 -11.991  -1.186
  112    HA   THR  17           HA       THR  17   6.434 -12.377  -0.124
  113    HB   THR  17           HB       THR  17   7.170 -10.026   1.128
  114    HG1  THR  17           HG1      THR  17   6.109  -9.346  -1.381
  115   1HG2  THR  17          HG23      THR  17   8.480 -11.516  -0.320
  116   2HG2  THR  17          HG22      THR  17   7.587 -10.912  -1.716
  117   3HG2  THR  17          HG21      THR  17   8.634  -9.826  -0.800
  118    H    LEU  18           HN       LEU  18   3.887 -11.183   1.645
  119    HA   LEU  18           HA       LEU  18   3.091 -11.678   3.749
  120   1HB   LEU  18           HB2      LEU  18   5.127 -13.645   3.198
  121   2HB   LEU  18           HB1      LEU  18   5.117 -13.190   4.888
  122    HG   LEU  18           HG       LEU  18   2.444 -13.517   3.740
  123   1HD1  LEU  18          HD12      LEU  18   3.917 -15.306   2.611
  124   2HD1  LEU  18          HD11      LEU  18   4.063 -16.022   4.217
  125   3HD1  LEU  18          HD13      LEU  18   2.477 -15.872   3.459
  126   1HD2  LEU  18          HD22      LEU  18   3.859 -13.814   6.264
  127   2HD2  LEU  18          HD21      LEU  18   2.132 -13.600   5.977
  128   3HD2  LEU  18          HD23      LEU  18   2.839 -15.216   5.942
  129    H    GLU  19           HN       GLU  19   6.032 -10.059   3.159
  130    HA   GLU  19           HA       GLU  19   6.958  -9.568   5.791
  131   1HB   GLU  19           HB2      GLU  19   7.995  -7.547   4.846
  132   2HB   GLU  19           HB1      GLU  19   8.218  -8.916   3.755
  133   1HG   GLU  19           HG2      GLU  19   5.755  -7.803   3.014
  134   2HG   GLU  19           HG1      GLU  19   6.809  -6.420   3.297
  135    H    TYR  20           HN       TYR  20   6.045  -8.418   7.379
  136    HA   TYR  20           HA       TYR  20   3.462  -7.127   6.849
  137   1HB   TYR  20           HB2      TYR  20   3.888  -8.655   8.805
  138   2HB   TYR  20           HB1      TYR  20   4.822  -7.349   9.530
  139    HD1  TYR  20           HD2      TYR  20   1.608  -7.597   7.605
  140    HD2  TYR  20           HD1      TYR  20   3.601  -6.162  11.129
  141    HE1  TYR  20           HE2      TYR  20  -0.501  -6.540   8.364
  142    HE2  TYR  20           HE1      TYR  20   1.490  -5.105  11.890
  143    HH   TYR  20           HH       TYR  20  -0.783  -5.097  11.558
  144    H    ARG  21           HN       ARG  21   3.221  -5.113   6.519
  145    HA   ARG  21           HA       ARG  21   4.609  -3.002   7.957
  146   1HB   ARG  21           HB2      ARG  21   5.340  -1.900   5.725
  147   2HB   ARG  21           HB1      ARG  21   6.354  -3.196   6.356
  148   1HG   ARG  21           HG2      ARG  21   4.670  -4.682   4.880
  149   2HG   ARG  21           HG1      ARG  21   4.571  -3.175   3.969
  150   1HD   ARG  21           HD2      ARG  21   6.936  -4.955   4.434
  151   2HD   ARG  21           HD1      ARG  21   6.405  -4.171   2.948
  152    HE   ARG  21           HE       ARG  21   7.269  -2.027   3.918
  153   1HH1  ARG  21          HH21      ARG  21   7.729  -4.561   6.104
  154   2HH1  ARG  21          HH22      ARG  21   9.376  -4.169   6.471
  155   1HH2  ARG  21          HH11      ARG  21   9.605  -1.706   4.039
  156   2HH2  ARG  21          HH12      ARG  21  10.437  -2.550   5.301
  157    HA   PRO  22           HA       PRO  22   0.254  -2.450   6.669
  158   1HB   PRO  22           HB2      PRO  22  -0.450  -1.138   8.997
  159   2HB   PRO  22           HB1      PRO  22  -0.507  -2.906   8.764
  160   1HG   PRO  22           HG2      PRO  22   1.543  -1.248  10.201
  161   2HG   PRO  22           HG1      PRO  22   0.977  -2.891  10.557
  162   1HD   PRO  22           HD2      PRO  22   3.381  -2.335   9.293
  163   2HD   PRO  22           HD1      PRO  22   2.498  -3.866   9.108
  164    H    LEU  23           HN       LEU  23  -0.056  -0.836   5.198
  165    HA   LEU  23           HA       LEU  23   0.910   1.902   5.941
  166   1HB   LEU  23           HB2      LEU  23   0.060   0.956   3.194
  167   2HB   LEU  23           HB1      LEU  23   1.042   2.363   3.601
  168    HG   LEU  23           HG       LEU  23   2.176  -0.110   4.659
  169   1HD1  LEU  23          HD13      LEU  23   1.006  -0.840   2.497
  170   2HD1  LEU  23          HD12      LEU  23   2.176   0.179   1.660
  171   3HD1  LEU  23          HD11      LEU  23   2.728  -1.188   2.630
  172   1HD2  LEU  23          HD23      LEU  23   3.057   2.238   2.995
  173   2HD2  LEU  23          HD22      LEU  23   3.571   1.778   4.619
  174   3HD2  LEU  23          HD21      LEU  23   4.119   0.848   3.225
  175    H    CYS  24           HN       CYS  24  -0.660   3.530   6.171
  176    HA   CYS  24           HA       CYS  24  -3.462   2.574   5.956
  177   1HB   CYS  24           HB2      CYS  24  -2.054   4.361   7.758
  178   2HB   CYS  24           HB1      CYS  24  -3.521   5.103   7.142
  179    H    GLY  25           HN       GLY  25  -4.461   2.987   4.126
  180   1HA   GLY  25           HA2      GLY  25  -3.829   4.729   2.037
  181   2HA   GLY  25           HA1      GLY  25  -5.396   4.186   2.401
  182    H    SER  26           HN       SER  26  -5.387   6.663   1.415
  183    HA   SER  26           HA       SER  26  -5.188   8.680   3.504
  184   1HB   SER  26           HB2      SER  26  -4.972   9.521   1.283
  185   2HB   SER  26           HB1      SER  26  -6.400   8.657   0.729
  186    HG   SER  26           HG       SER  26  -6.458  11.057   1.350
  187    H    ASP  27           HN       ASP  27  -7.544   6.387   2.453
  188    HA   ASP  27           HA       ASP  27  -9.850   7.700   3.663
  189   1HB   ASP  27           HB2      ASP  27 -10.962   5.509   3.281
  190   2HB   ASP  27           HB1      ASP  27 -10.144   6.087   1.828
  191    H    ASN  28           HN       ASN  28  -7.133   6.208   4.907
  192    HA   ASN  28           HA       ASN  28  -6.597   5.806   7.155
  193   1HB   ASN  28           HB2      ASN  28  -9.539   5.830   7.832
  194   2HB   ASN  28           HB1      ASN  28  -8.165   6.187   8.879
  195   1HD2  ASN  28          HD22      ASN  28  -9.898   9.233   7.020
  196   2HD2  ASN  28          HD21      ASN  28 -10.630   7.726   7.295
  197    H    LYS  29           HN       LYS  29  -7.266   3.794   5.096
  198    HA   LYS  29           HA       LYS  29  -8.316   1.592   6.798
  199   1HB   LYS  29           HB2      LYS  29  -9.450   1.701   4.685
  200   2HB   LYS  29           HB1      LYS  29  -7.933   1.893   3.808
  201   1HG   LYS  29           HG2      LYS  29  -7.670  -0.323   3.672
  202   2HG   LYS  29           HG1      LYS  29  -7.824  -0.487   5.419
  203   1HD   LYS  29           HD2      LYS  29  -9.882  -1.364   5.184
  204   2HD   LYS  29           HD1      LYS  29 -10.413   0.077   4.319
  205   1HE   LYS  29           HE2      LYS  29 -10.342  -0.987   2.331
  206   2HE   LYS  29           HE1      LYS  29  -8.719  -1.599   2.649
  207   1HZ   LYS  29           HZ2      LYS  29  -9.753  -3.306   4.086
  208   2HZ   LYS  29           HZ1      LYS  29 -11.282  -2.774   3.571
  209   3HZ   LYS  29           HZ3      LYS  29 -10.197  -3.440   2.452
  210    H    THR  30           HN       THR  30  -6.967  -0.268   7.147
  211    HA   THR  30           HA       THR  30  -4.087   0.301   6.687
  212    HB   THR  30           HB       THR  30  -5.422  -1.779   8.447
  213    HG1  THR  30           HG1      THR  30  -5.163   0.785   8.781
  214   1HG2  THR  30          HG23      THR  30  -2.982  -2.087   7.453
  215   2HG2  THR  30          HG22      THR  30  -2.565  -0.920   8.709
  216   3HG2  THR  30          HG21      THR  30  -3.317  -2.455   9.144
  217    H    TYR  31           HN       TYR  31  -2.746  -1.110   5.569
  218    HA   TYR  31           HA       TYR  31  -4.058  -3.445   4.263
  219   1HB   TYR  31           HB2      TYR  31  -2.560  -1.190   3.006
  220   2HB   TYR  31           HB1      TYR  31  -2.124  -2.796   2.481
  221    HD1  TYR  31           HD2      TYR  31  -4.360  -4.407   2.248
  222    HD2  TYR  31           HD1      TYR  31  -4.202  -0.144   1.751
  223    HE1  TYR  31           HE2      TYR  31  -6.419  -4.490   0.872
  224    HE2  TYR  31           HE1      TYR  31  -6.264  -0.228   0.382
  225    HH   TYR  31           HH       TYR  31  -8.066  -3.243  -0.042
  226    H    GLY  32           HN       GLY  32  -3.020  -5.288   4.777
  227   1HA   GLY  32           HA2      GLY  32  -1.174  -5.663   6.666
  228   2HA   GLY  32           HA1      GLY  32  -1.196  -6.734   5.288
  229    H    ASN  33           HN       ASN  33  -0.133  -5.009   3.289
  230    HA   ASN  33           HA       ASN  33   2.293  -3.825   4.399
  231   1HB   ASN  33           HB2      ASN  33   3.836  -5.314   3.126
  232   2HB   ASN  33           HB1      ASN  33   2.976  -6.131   4.425
  233   1HD2  ASN  33          HD22      ASN  33   2.657  -8.352   1.526
  234   2HD2  ASN  33          HD21      ASN  33   3.884  -7.836   2.571
  235    H    LYS  34           HN       LYS  34   3.888  -3.703   2.218
  236    HA   LYS  34           HA       LYS  34   2.830  -1.547   0.779
  237   1HB   LYS  34           HB2      LYS  34   4.748  -1.959  -0.799
  238   2HB   LYS  34           HB1      LYS  34   5.209  -1.896   0.902
  239   1HG   LYS  34           HG2      LYS  34   6.075  -3.965   0.743
  240   2HG   LYS  34           HG1      LYS  34   4.488  -4.602   0.302
  241   1HD   LYS  34           HD2      LYS  34   5.497  -3.263  -1.992
  242   2HD   LYS  34           HD1      LYS  34   6.816  -4.252  -1.363
  243   1HE   LYS  34           HE2      LYS  34   4.062  -5.430  -1.587
  244   2HE   LYS  34           HE1      LYS  34   5.082  -5.319  -3.021
  245   1HZ   LYS  34           HZ3      LYS  34   6.759  -6.285  -1.121
  246   2HZ   LYS  34           HZ2      LYS  34   5.296  -7.067  -0.757
  247   3HZ   LYS  34           HZ1      LYS  34   5.978  -7.212  -2.307
  248    H    CYS  35           HN       CYS  35   2.770  -4.986  -0.159
  249    HA   CYS  35           HA       CYS  35   1.732  -4.327  -2.770
  250   1HB   CYS  35           HB2      CYS  35   1.188  -6.842  -2.726
  251   2HB   CYS  35           HB1      CYS  35   2.876  -6.380  -2.719
  252    H    ASN  36           HN       ASN  36   0.289  -5.854   0.162
  253    HA   ASN  36           HA       ASN  36  -2.367  -5.939  -0.726
  254   1HB   ASN  36           HB2      ASN  36  -1.057  -5.676   1.919
  255   2HB   ASN  36           HB1      ASN  36  -2.763  -5.250   1.850
  256   1HD2  ASN  36          HD22      ASN  36  -1.622  -9.124   1.609
  257   2HD2  ASN  36          HD21      ASN  36  -0.506  -7.864   1.806
  258    H    PHE  37           HN       PHE  37  -0.404  -3.186   0.173
  259    HA   PHE  37           HA       PHE  37  -2.693  -1.326   0.305
  260   1HB   PHE  37           HB2      PHE  37  -0.614  -1.086   1.650
  261   2HB   PHE  37           HB1      PHE  37   0.281  -0.718   0.306
  262    HD1  PHE  37           HD1      PHE  37  -2.550   0.560   2.291
  263    HD2  PHE  37           HD2      PHE  37   0.274   1.200  -0.839
  264    HE1  PHE  37           HE1      PHE  37  -3.198   2.952   2.207
  265    HE2  PHE  37           HE2      PHE  37  -0.349   3.611  -0.932
  266    HZ   PHE  37           HZ       PHE  37  -2.098   4.484   0.603
  267    H    CYS  38           HN       CYS  38  -0.132  -2.220  -1.747
  268    HA   CYS  38           HA       CYS  38  -0.392  -0.137  -3.709
  269   1HB   CYS  38           HB2      CYS  38   0.989  -2.783  -3.622
  270   2HB   CYS  38           HB1      CYS  38   0.744  -2.018  -5.185
  271    H    ASN  39           HN       ASN  39  -2.071  -3.206  -3.316
  272    HA   ASN  39           HA       ASN  39  -3.145  -3.236  -6.000
  273   1HB   ASN  39           HB2      ASN  39  -4.882  -4.469  -3.988
  274   2HB   ASN  39           HB1      ASN  39  -4.093  -5.195  -5.381
  275   1HD2  ASN  39          HD22      ASN  39  -1.443  -6.553  -3.486
  276   2HD2  ASN  39          HD21      ASN  39  -2.112  -6.339  -5.029
  277    H    ALA  40           HN       ALA  40  -4.125  -1.883  -2.901
  278    HA   ALA  40           HA       ALA  40  -6.734  -0.992  -3.778
  279   1HB   ALA  40           HB2      ALA  40  -4.946  -0.531  -1.439
  280   2HB   ALA  40           HB1      ALA  40  -6.141   0.722  -1.776
  281   3HB   ALA  40           HB3      ALA  40  -6.662  -0.936  -1.477
  282    H    VAL  41           HN       VAL  41  -3.477   0.144  -4.060
  283    HA   VAL  41           HA       VAL  41  -4.135   2.894  -4.759
  284    HB   VAL  41           HB       VAL  41  -1.641   1.206  -5.046
  285   1HG1  VAL  41          HG11      VAL  41  -2.187   4.076  -5.818
  286   2HG1  VAL  41          HG13      VAL  41  -0.560   3.496  -5.462
  287   3HG1  VAL  41          HG12      VAL  41  -1.472   2.797  -6.800
  288   1HG2  VAL  41          HG23      VAL  41  -2.838   2.813  -2.945
  289   2HG2  VAL  41          HG22      VAL  41  -1.442   1.739  -2.866
  290   3HG2  VAL  41          HG21      VAL  41  -1.236   3.418  -3.367
  291    H    VAL  42           HN       VAL  42  -3.333  -0.062  -6.561
  292    HA   VAL  42           HA       VAL  42  -3.498   1.333  -9.117
  293    HB   VAL  42           HB       VAL  42  -1.881  -0.400  -9.028
  294   1HG1  VAL  42          HG12      VAL  42  -3.921  -1.716  -7.386
  295   2HG1  VAL  42          HG11      VAL  42  -3.131  -2.806  -8.525
  296   3HG1  VAL  42          HG13      VAL  42  -2.170  -1.895  -7.365
  297   1HG2  VAL  42          HG22      VAL  42  -3.528  -0.370 -11.008
  298   2HG2  VAL  42          HG21      VAL  42  -2.531  -1.809 -10.793
  299   3HG2  VAL  42          HG23      VAL  42  -4.216  -1.820 -10.276
  300    H    GLU  43           HN       GLU  43  -5.712  -0.127  -6.980
  301    HA   GLU  43           HA       GLU  43  -7.625  -0.808  -9.126
  302   1HB   GLU  43           HB2      GLU  43  -9.093  -1.402  -7.160
  303   2HB   GLU  43           HB1      GLU  43  -7.658  -2.385  -7.280
  304   1HG   GLU  43           HG2      GLU  43  -7.337  -1.828  -5.146
  305   2HG   GLU  43           HG1      GLU  43  -6.885  -0.227  -5.730
  306    H    SER  44           HN       SER  44  -7.010   1.571  -6.622
  307    HA   SER  44           HA       SER  44  -9.549   2.961  -7.176
  308   1HB   SER  44           HB2      SER  44  -8.959   3.010  -4.880
  309   2HB   SER  44           HB1      SER  44  -7.282   3.409  -5.235
  310    HG   SER  44           HG       SER  44  -9.377   5.042  -4.853
  311    H    ASN  45           HN       ASN  45  -7.168   2.726  -9.126
  312    HA   ASN  45           HA       ASN  45  -6.251   4.086 -10.775
  313   1HB   ASN  45           HB2      ASN  45  -8.406   5.879  -9.665
  314   2HB   ASN  45           HB1      ASN  45  -7.300   6.437 -10.905
  315   1HD2  ASN  45          HD22      ASN  45 -10.019   3.531 -11.844
  316   2HD2  ASN  45          HD21      ASN  45  -9.635   3.817 -10.218
  317    H    GLY  46           HN       GLY  46  -5.591   4.283  -7.671
  318   1HA   GLY  46           HA2      GLY  46  -3.600   5.124  -6.685
  319   2HA   GLY  46           HA1      GLY  46  -3.361   6.155  -8.090
  320    H    THR  47           HN       THR  47  -6.504   6.261  -6.753
  321    HA   THR  47           HA       THR  47  -5.984   8.999  -5.754
  322    HB   THR  47           HB       THR  47  -8.319   9.344  -5.893
  323    HG1  THR  47           HG1      THR  47  -9.109   7.631  -4.784
  324   1HG2  THR  47          HG21      THR  47  -6.950   8.111  -8.056
  325   2HG2  THR  47          HG23      THR  47  -8.596   7.475  -8.051
  326   3HG2  THR  47          HG22      THR  47  -8.323   9.216  -8.135
  327    H    LEU  48           HN       LEU  48  -5.603   6.070  -4.477
  328    HA   LEU  48           HA       LEU  48  -7.078   6.326  -1.990
  329   1HB   LEU  48           HB2      LEU  48  -6.734   4.105  -2.480
  330   2HB   LEU  48           HB1      LEU  48  -5.204   4.416  -3.286
  331    HG   LEU  48           HG       LEU  48  -4.215   4.857  -0.981
  332   1HD1  LEU  48          HD13      LEU  48  -6.982   4.562  -0.311
  333   2HD1  LEU  48          HD12      LEU  48  -6.061   3.280   0.479
  334   3HD1  LEU  48          HD11      LEU  48  -5.633   4.968   0.745
  335   1HD2  LEU  48          HD22      LEU  48  -4.698   2.497  -2.403
  336   2HD2  LEU  48          HD21      LEU  48  -3.515   2.719  -1.114
  337   3HD2  LEU  48          HD23      LEU  48  -5.125   2.107  -0.736
  338    H    THR  49           HN       THR  49  -3.610   6.100  -2.610
  339    HA   THR  49           HA       THR  49  -1.777   6.994  -1.503
  340    HB   THR  49           HB       THR  49  -1.788   9.336  -1.242
  341    HG1  THR  49           HG1      THR  49  -3.516  10.362  -0.645
  342   1HG2  THR  49          HG21      THR  49  -3.548   8.430  -3.505
  343   2HG2  THR  49          HG23      THR  49  -2.771  10.011  -3.426
  344   3HG2  THR  49          HG22      THR  49  -1.788   8.547  -3.510
  345    H    LEU  50           HN       LEU  50  -1.146   6.445   0.360
  346    HA   LEU  50           HA       LEU  50  -2.859   6.404   2.721
  347   1HB   LEU  50           HB2      LEU  50  -1.425   4.749   3.264
  348   2HB   LEU  50           HB1      LEU  50  -0.583   5.047   1.758
  349    HG   LEU  50           HG       LEU  50   0.220   6.921   3.869
  350   1HD1  LEU  50          HD11      LEU  50   0.443   3.949   4.231
  351   2HD1  LEU  50          HD13      LEU  50   1.506   5.092   5.047
  352   3HD1  LEU  50          HD12      LEU  50  -0.234   5.127   5.346
  353   1HD2  LEU  50          HD21      LEU  50   1.333   6.359   1.610
  354   2HD2  LEU  50          HD23      LEU  50   2.388   6.410   3.021
  355   3HD2  LEU  50          HD22      LEU  50   1.851   4.858   2.378
  356    H    SER  51           HN       SER  51  -1.895   7.317   4.813
  357    HA   SER  51           HA       SER  51  -0.931  10.096   4.280
  358   1HB   SER  51           HB2      SER  51  -3.263   9.365   5.518
  359   2HB   SER  51           HB1      SER  51  -2.183   9.467   6.877
  360    HG   SER  51           HG       SER  51  -2.407  11.483   4.903
  361    H    HIS  52           HN       HIS  52  -0.410   7.113   5.984
  362    HA   HIS  52           HA       HIS  52   2.220   8.027   6.881
  363   1HB   HIS  52           HB2      HIS  52   1.763   7.653   9.273
  364   2HB   HIS  52           HB1      HIS  52   0.763   8.949   8.628
  365    HD1  HIS  52           HD1      HIS  52   0.346   6.314  10.825
  366    HD2  HIS  52           HD2      HIS  52  -1.754   7.361   7.373
  367    HE1  HIS  52           HE1      HIS  52  -1.867   5.099  10.928
  368    H    PHE  53           HN       PHE  53   3.532   6.307   7.373
  369    HA   PHE  53           HA       PHE  53   2.738   3.694   6.484
  370   1HB   PHE  53           HB2      PHE  53   5.139   4.727   8.004
  371   2HB   PHE  53           HB1      PHE  53   4.941   3.013   7.631
  372    HD1  PHE  53           HD2      PHE  53   4.949   6.398   6.037
  373    HD2  PHE  53           HD1      PHE  53   5.546   2.175   5.510
  374    HE1  PHE  53           HE2      PHE  53   5.778   6.802   3.734
  375    HE2  PHE  53           HE1      PHE  53   6.377   2.582   3.209
  376    HZ   PHE  53           HZ       PHE  53   6.490   4.894   2.322
  377    H    GLY  54           HN       GLY  54   2.813   1.756   7.931
  378   1HA   GLY  54           HA2      GLY  54   2.364   0.650   9.993
  379   2HA   GLY  54           HA1      GLY  54   2.180   2.197  10.760
  380    H    LYS  55           HN       LYS  55   0.244   0.970  11.668
  381    HA   LYS  55           HA       LYS  55  -2.070   0.846   9.837
  382   1HB   LYS  55           HB2      LYS  55  -2.385   0.402  12.770
  383   2HB   LYS  55           HB1      LYS  55  -3.079  -0.496  11.421
  384   1HG   LYS  55           HG2      LYS  55  -0.654  -1.280  10.955
  385   2HG   LYS  55           HG1      LYS  55  -0.308  -0.718  12.590
  386   1HD   LYS  55           HD2      LYS  55  -2.440  -2.740  11.839
  387   2HD   LYS  55           HD1      LYS  55  -0.887  -3.117  12.589
  388   1HE   LYS  55           HE2      LYS  55  -2.933  -1.251  13.818
  389   2HE   LYS  55           HE1      LYS  55  -2.806  -2.964  14.220
  390   1HZ   LYS  55           HZ3      LYS  55  -0.440  -2.530  14.790
  391   2HZ   LYS  55           HZ2      LYS  55  -0.741  -0.869  14.601
  392   3HZ   LYS  55           HZ1      LYS  55  -1.550  -1.750  15.807
  393    H    CYS  56           HN       CYS  56  -4.126   1.888  10.614
  394    HA   CYS  56           HA       CYS  56  -3.679   4.701  11.037
  395   1HB   CYS  56           HB2      CYS  56  -6.133   2.958  10.896
  396   2HB   CYS  56           HB1      CYS  56  -6.252   4.676  11.281
   
  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  11.636  10.483  -0.790
    2   2H    LEU   1           HT2      LEU   1  12.776  10.227  -2.024
    3   3H    LEU   1           HT1      LEU   1  13.290  10.675  -0.468
    4    HA   LEU   1           HA       LEU   1  13.438  12.680  -1.525
    5   1HB   LEU   1           HB2      LEU   1  11.201  11.544  -3.169
    6   2HB   LEU   1           HB1      LEU   1  11.417  13.295  -3.117
    7    HG   LEU   1           HG       LEU   1  13.995  12.438  -3.480
    8   1HD1  LEU   1          HD13      LEU   1  12.094  10.472  -4.741
    9   2HD1  LEU   1          HD12      LEU   1  13.646  10.826  -5.500
   10   3HD1  LEU   1          HD11      LEU   1  13.595  10.155  -3.870
   11   1HD2  LEU   1          HD21      LEU   1  12.624  14.209  -4.698
   12   2HD2  LEU   1          HD23      LEU   1  13.764  13.314  -5.703
   13   3HD2  LEU   1          HD22      LEU   1  12.047  12.916  -5.751
   14    H    ALA   2           HN       ALA   2  11.980  11.730   0.886
   15    HA   ALA   2           HA       ALA   2  10.647  12.683   2.565
   16   1HB   ALA   2           HB3      ALA   2  12.026  14.719   1.848
   17   2HB   ALA   2           HB2      ALA   2  10.634  15.189   0.870
   18   3HB   ALA   2           HB1      ALA   2  10.479  15.064   2.622
   19    H    ALA   3           HN       ALA   3   9.341  11.197   0.544
   20    HA   ALA   3           HA       ALA   3   6.791  12.729   0.225
   21   1HB   ALA   3           HB3      ALA   3   8.341  11.333  -1.701
   22   2HB   ALA   3           HB2      ALA   3   6.883  10.378  -1.434
   23   3HB   ALA   3           HB1      ALA   3   6.753  12.066  -1.927
   24    H    VAL   4           HN       VAL   4   4.884  11.715   0.909
   25    HA   VAL   4           HA       VAL   4   5.296   9.252   2.541
   26    HB   VAL   4           HB       VAL   4   3.039   9.938   3.527
   27   1HG1  VAL   4          HG13      VAL   4   5.491  10.500   4.345
   28   2HG1  VAL   4          HG12      VAL   4   5.030  12.148   3.913
   29   3HG1  VAL   4          HG11      VAL   4   4.100  11.260   5.120
   30   1HG2  VAL   4          HG22      VAL   4   2.649  11.481   1.461
   31   2HG2  VAL   4          HG21      VAL   4   2.155  12.069   3.050
   32   3HG2  VAL   4          HG23      VAL   4   3.662  12.634   2.330
   33    H    SER   5           HN       SER   5   5.164   7.876   0.614
   34    HA   SER   5           HA       SER   5   2.620   6.737   0.170
   35   1HB   SER   5           HB2      SER   5   1.709   8.384  -1.134
   36   2HB   SER   5           HB1      SER   5   3.281   9.047  -1.571
   37    HG   SER   5           HG       SER   5   2.557   8.089  -3.395
   38    H    VAL   6           HN       VAL   6   3.047   4.724  -0.618
   39    HA   VAL   6           HA       VAL   6   5.749   4.203  -1.668
   40    HB   VAL   6           HB       VAL   6   4.813   2.685   0.020
   41   1HG1  VAL   6          HG11      VAL   6   2.577   2.599  -1.958
   42   2HG1  VAL   6          HG13      VAL   6   2.923   1.133  -1.040
   43   3HG1  VAL   6          HG12      VAL   6   2.515   2.628  -0.195
   44   1HG2  VAL   6          HG21      VAL   6   6.298   1.891  -1.954
   45   2HG2  VAL   6          HG23      VAL   6   5.440   0.658  -1.030
   46   3HG2  VAL   6          HG22      VAL   6   4.817   1.179  -2.596
   47    H    ASP   7           HN       ASP   7   6.158   3.353  -3.750
   48    HA   ASP   7           HA       ASP   7   4.320   4.176  -5.827
   49   1HB   ASP   7           HB2      ASP   7   6.896   3.971  -5.959
   50   2HB   ASP   7           HB1      ASP   7   6.610   2.251  -6.224
   51    H    CYS   8           HN       CYS   8   2.878   2.913  -7.008
   52    HA   CYS   8           HA       CYS   8   2.812  -0.004  -6.474
   53   1HB   CYS   8           HB2      CYS   8   0.359   1.757  -6.257
   54   2HB   CYS   8           HB1      CYS   8   0.482   0.040  -5.885
   55    H    SER   9           HN       SER   9   3.688   1.173  -8.839
   56    HA   SER   9           HA       SER   9   1.398   1.215 -10.707
   57   1HB   SER   9           HB2      SER   9   4.080   2.271 -10.687
   58   2HB   SER   9           HB1      SER   9   3.844   1.291 -12.132
   59    HG   SER   9           HG       SER   9   2.868   3.726 -11.537
   60    H    GLU  10           HN       GLU  10   3.389  -1.124  -9.352
   61    HA   GLU  10           HA       GLU  10   3.306  -2.844 -11.779
   62   1HB   GLU  10           HB2      GLU  10   4.686  -3.295  -9.114
   63   2HB   GLU  10           HB1      GLU  10   4.839  -4.318 -10.544
   64   1HG   GLU  10           HG2      GLU  10   6.684  -2.986 -10.886
   65   2HG   GLU  10           HG1      GLU  10   5.475  -1.961 -11.661
   66    H    TYR  11           HN       TYR  11   1.125  -2.101  -9.627
   67    HA   TYR  11           HA       TYR  11   0.370  -4.844  -8.844
   68   1HB   TYR  11           HB2      TYR  11  -0.585  -2.094  -7.988
   69   2HB   TYR  11           HB1      TYR  11  -1.309  -3.590  -7.407
   70    HD1  TYR  11           HD2      TYR  11   1.801  -1.582  -7.504
   71    HD2  TYR  11           HD1      TYR  11  -0.173  -4.991  -5.786
   72    HE1  TYR  11           HE2      TYR  11   3.623  -1.796  -5.838
   73    HE2  TYR  11           HE1      TYR  11   1.659  -5.205  -4.114
   74    HH   TYR  11           HH       TYR  11   3.643  -4.451  -3.463
   75    HA   PRO  12           HA       PRO  12  -1.728  -5.266  -7.913
   76   1HB   PRO  12           HB2      PRO  12  -3.204  -7.492  -8.576
   77   2HB   PRO  12           HB1      PRO  12  -3.929  -5.940  -8.116
   78   1HG   PRO  12           HG2      PRO  12  -3.696  -7.175 -10.826
   79   2HG   PRO  12           HG1      PRO  12  -4.901  -6.029 -10.216
   80   1HD   PRO  12           HD2      PRO  12  -2.688  -5.377 -11.844
   81   2HD   PRO  12           HD1      PRO  12  -3.704  -4.243 -10.991
   82    H    LYS  13           HN       LYS  13  -0.830  -7.339  -7.131
   83    HA   LYS  13           HA       LYS  13   1.007  -8.590  -9.133
   84   1HB   LYS  13           HB2      LYS  13   1.543  -8.725  -6.188
   85   2HB   LYS  13           HB1      LYS  13   2.680  -8.669  -7.534
   86   1HG   LYS  13           HG2      LYS  13   1.339  -6.249  -7.734
   87   2HG   LYS  13           HG1      LYS  13   1.523  -6.473  -5.994
   88   1HD   LYS  13           HD2      LYS  13   3.783  -6.736  -7.999
   89   2HD   LYS  13           HD1      LYS  13   3.468  -5.291  -7.037
   90   1HE   LYS  13           HE2      LYS  13   4.365  -6.206  -5.168
   91   2HE   LYS  13           HE1      LYS  13   3.562  -7.753  -5.436
   92   1HZ   LYS  13           HZ2      LYS  13   5.248  -8.124  -7.244
   93   2HZ   LYS  13           HZ1      LYS  13   6.092  -6.784  -6.630
   94   3HZ   LYS  13           HZ3      LYS  13   5.854  -8.151  -5.657
   95    HA   PRO  14           HA       PRO  14  -1.195 -12.303  -8.153
   96   1HB   PRO  14           HB2      PRO  14   0.511 -14.045  -9.421
   97   2HB   PRO  14           HB1      PRO  14  -0.653 -13.016 -10.274
   98   1HG   PRO  14           HG2      PRO  14   2.304 -12.728 -10.063
   99   2HG   PRO  14           HG1      PRO  14   1.208 -12.146 -11.325
  100   1HD   PRO  14           HD2      PRO  14   2.345 -10.586  -9.275
  101   2HD   PRO  14           HD1      PRO  14   1.026 -10.097 -10.312
  102    H    ALA  15           HN       ALA  15   1.313 -11.243  -6.533
  103    HA   ALA  15           HA       ALA  15   1.313 -13.372  -4.590
  104   1HB   ALA  15           HB1      ALA  15   2.866 -14.298  -6.351
  105   2HB   ALA  15           HB3      ALA  15   3.925 -12.919  -6.054
  106   3HB   ALA  15           HB2      ALA  15   3.613 -14.085  -4.768
  107    H    CYS  16           HN       CYS  16   1.160 -12.024  -2.872
  108    HA   CYS  16           HA       CYS  16   2.738  -9.515  -2.841
  109   1HB   CYS  16           HB2      CYS  16   0.619 -10.563  -0.935
  110   2HB   CYS  16           HB1      CYS  16   1.407  -8.992  -0.806
  111    H    THR  17           HN       THR  17   4.326  -9.094  -1.261
  112    HA   THR  17           HA       THR  17   5.940 -11.207  -0.370
  113    HB   THR  17           HB       THR  17   6.803  -9.565   1.346
  114    HG1  THR  17           HG1      THR  17   5.011  -8.385   1.801
  115   1HG2  THR  17          HG21      THR  17   7.009  -9.551  -1.438
  116   2HG2  THR  17          HG23      THR  17   6.725  -7.864  -1.008
  117   3HG2  THR  17          HG22      THR  17   8.087  -8.737  -0.304
  118    H    LEU  18           HN       LEU  18   6.332 -11.423   2.223
  119    HA   LEU  18           HA       LEU  18   3.635 -11.990   3.381
  120   1HB   LEU  18           HB2      LEU  18   6.000 -13.590   4.258
  121   2HB   LEU  18           HB1      LEU  18   4.316 -14.072   4.096
  122    HG   LEU  18           HG       LEU  18   4.995 -13.497   1.492
  123   1HD1  LEU  18          HD12      LEU  18   7.367 -13.228   2.140
  124   2HD1  LEU  18          HD11      LEU  18   7.357 -14.850   2.833
  125   3HD1  LEU  18          HD13      LEU  18   7.150 -14.633   1.095
  126   1HD2  LEU  18          HD21      LEU  18   5.047 -16.077   3.072
  127   2HD2  LEU  18          HD23      LEU  18   3.743 -15.452   2.064
  128   3HD2  LEU  18          HD22      LEU  18   5.227 -16.044   1.319
  129    H    GLU  19           HN       GLU  19   6.680 -10.458   3.805
  130    HA   GLU  19           HA       GLU  19   6.939 -10.419   6.614
  131   1HB   GLU  19           HB2      GLU  19   8.206  -8.365   6.320
  132   2HB   GLU  19           HB1      GLU  19   8.605  -9.464   5.000
  133   1HG   GLU  19           HG2      GLU  19   6.306  -7.667   4.488
  134   2HG   GLU  19           HG1      GLU  19   7.871  -6.870   4.630
  135    H    TYR  20           HN       TYR  20   6.656  -7.838   7.471
  136    HA   TYR  20           HA       TYR  20   3.790  -7.227   6.967
  137   1HB   TYR  20           HB2      TYR  20   4.095  -8.594   9.066
  138   2HB   TYR  20           HB1      TYR  20   4.943  -7.212   9.756
  139    HD1  TYR  20           HD2      TYR  20   1.991  -7.361   7.456
  140    HD2  TYR  20           HD1      TYR  20   3.469  -6.260  11.336
  141    HE1  TYR  20           HE2      TYR  20  -0.184  -6.293   7.972
  142    HE2  TYR  20           HE1      TYR  20   1.291  -5.196  11.861
  143    HH   TYR  20           HH       TYR  20  -0.983  -5.228  11.175
  144    H    ARG  21           HN       ARG  21   3.366  -5.198   6.697
  145    HA   ARG  21           HA       ARG  21   4.834  -3.010   7.954
  146   1HB   ARG  21           HB2      ARG  21   5.391  -3.861   5.159
  147   2HB   ARG  21           HB1      ARG  21   5.111  -2.134   5.389
  148   1HG   ARG  21           HG2      ARG  21   6.948  -3.567   7.275
  149   2HG   ARG  21           HG1      ARG  21   7.540  -3.128   5.673
  150   1HD   ARG  21           HD2      ARG  21   6.063  -0.970   7.016
  151   2HD   ARG  21           HD1      ARG  21   7.534  -1.454   7.861
  152    HE   ARG  21           HE       ARG  21   7.544  -0.668   4.973
  153   1HH1  ARG  21          HH11      ARG  21  10.104  -1.690   5.754
  154   2HH1  ARG  21          HH12      ARG  21  10.939  -0.324   6.416
  155   1HH2  ARG  21          HH21      ARG  21   8.053   1.542   6.881
  156   2HH2  ARG  21          HH22      ARG  21   9.776   1.507   7.056
  157    HA   PRO  22           HA       PRO  22   0.376  -2.563   6.970
  158   1HB   PRO  22           HB2      PRO  22  -0.185  -1.171   9.298
  159   2HB   PRO  22           HB1      PRO  22  -0.264  -2.939   9.129
  160   1HG   PRO  22           HG2      PRO  22   1.886  -1.257  10.378
  161   2HG   PRO  22           HG1      PRO  22   1.334  -2.884  10.822
  162   1HD   PRO  22           HD2      PRO  22   3.658  -2.397   9.391
  163   2HD   PRO  22           HD1      PRO  22   2.744  -3.918   9.296
  164    H    LEU  23           HN       LEU  23  -0.022  -0.992   5.466
  165    HA   LEU  23           HA       LEU  23   1.111   1.711   6.079
  166   1HB   LEU  23           HB2      LEU  23   0.121   0.701   3.410
  167   2HB   LEU  23           HB1      LEU  23   1.129   2.119   3.726
  168    HG   LEU  23           HG       LEU  23   2.414  -0.092   4.944
  169   1HD1  LEU  23          HD13      LEU  23   1.582  -0.613   2.078
  170   2HD1  LEU  23          HD12      LEU  23   2.759  -1.561   2.988
  171   3HD1  LEU  23          HD11      LEU  23   1.067  -1.536   3.490
  172   1HD2  LEU  23          HD22      LEU  23   3.314   2.041   3.855
  173   2HD2  LEU  23          HD21      LEU  23   4.226   0.563   3.549
  174   3HD2  LEU  23          HD23      LEU  23   3.141   1.201   2.314
  175    H    CYS  24           HN       CYS  24  -0.248   3.371   6.404
  176    HA   CYS  24           HA       CYS  24  -3.135   2.856   6.534
  177   1HB   CYS  24           HB2      CYS  24  -2.415   4.298   8.266
  178   2HB   CYS  24           HB1      CYS  24  -1.329   5.154   7.200
  179    H    GLY  25           HN       GLY  25  -4.413   3.109   4.749
  180   1HA   GLY  25           HA2      GLY  25  -3.399   4.313   2.359
  181   2HA   GLY  25           HA1      GLY  25  -4.987   3.839   2.594
  182    H    SER  26           HN       SER  26  -5.569   5.940   1.472
  183    HA   SER  26           HA       SER  26  -5.043   8.371   3.052
  184   1HB   SER  26           HB2      SER  26  -5.037   8.611   0.644
  185   2HB   SER  26           HB1      SER  26  -6.639   7.888   0.521
  186    HG   SER  26           HG       SER  26  -6.775  10.148   0.455
  187    H    ASP  27           HN       ASP  27  -7.956   6.529   2.058
  188    HA   ASP  27           HA       ASP  27  -9.841   8.081   3.500
  189   1HB   ASP  27           HB2      ASP  27 -11.271   6.052   3.453
  190   2HB   ASP  27           HB1      ASP  27 -10.525   6.364   1.885
  191    H    ASN  28           HN       ASN  28  -7.347   6.061   4.635
  192    HA   ASN  28           HA       ASN  28  -6.625   6.024   6.918
  193   1HB   ASN  28           HB2      ASN  28  -8.514   7.626   7.503
  194   2HB   ASN  28           HB1      ASN  28  -9.526   6.201   7.743
  195   1HD2  ASN  28          HD22      ASN  28  -8.069   5.358  10.849
  196   2HD2  ASN  28          HD21      ASN  28  -9.193   4.939   9.647
  197    H    LYS  29           HN       LYS  29  -6.983   3.861   5.221
  198    HA   LYS  29           HA       LYS  29  -8.062   1.829   7.127
  199   1HB   LYS  29           HB2      LYS  29  -8.604   0.413   5.132
  200   2HB   LYS  29           HB1      LYS  29  -9.512   1.915   5.189
  201   1HG   LYS  29           HG2      LYS  29  -8.325   2.862   3.438
  202   2HG   LYS  29           HG1      LYS  29  -6.906   1.869   3.744
  203   1HD   LYS  29           HD2      LYS  29  -7.608   0.297   2.293
  204   2HD   LYS  29           HD1      LYS  29  -9.179   0.201   3.090
  205   1HE   LYS  29           HE2      LYS  29  -8.626   2.581   1.369
  206   2HE   LYS  29           HE1      LYS  29  -8.963   1.045   0.573
  207   1HZ   LYS  29           HZ1      LYS  29 -10.701   1.944   2.764
  208   2HZ   LYS  29           HZ3      LYS  29 -10.899   2.624   1.223
  209   3HZ   LYS  29           HZ2      LYS  29 -11.067   0.947   1.438
  210    H    THR  30           HN       THR  30  -6.403   0.795   7.965
  211    HA   THR  30           HA       THR  30  -3.730   0.828   6.987
  212    HB   THR  30           HB       THR  30  -5.131  -1.104   8.863
  213    HG1  THR  30           HG1      THR  30  -4.797   0.471  10.172
  214   1HG2  THR  30          HG23      THR  30  -2.210  -0.882   8.095
  215   2HG2  THR  30          HG22      THR  30  -2.774  -1.727   9.536
  216   3HG2  THR  30          HG21      THR  30  -3.255  -2.295   7.938
  217    H    TYR  31           HN       TYR  31  -2.506  -0.995   6.096
  218    HA   TYR  31           HA       TYR  31  -4.171  -3.018   4.691
  219   1HB   TYR  31           HB2      TYR  31  -2.395  -0.996   3.469
  220   2HB   TYR  31           HB1      TYR  31  -2.067  -2.645   2.973
  221    HD1  TYR  31           HD2      TYR  31  -4.215  -4.105   2.421
  222    HD2  TYR  31           HD1      TYR  31  -4.111   0.184   2.420
  223    HE1  TYR  31           HE2      TYR  31  -6.237  -4.059   0.988
  224    HE2  TYR  31           HE1      TYR  31  -6.136   0.235   0.992
  225    HH   TYR  31           HH       TYR  31  -8.135  -2.379   0.549
  226    H    GLY  32           HN       GLY  32  -3.085  -5.108   4.550
  227   1HA   GLY  32           HA2      GLY  32  -1.559  -5.734   6.790
  228   2HA   GLY  32           HA1      GLY  32  -1.600  -6.746   5.366
  229    H    ASN  33           HN       ASN  33  -0.351  -4.790   3.591
  230    HA   ASN  33           HA       ASN  33   2.153  -3.983   4.776
  231   1HB   ASN  33           HB2      ASN  33   3.624  -5.563   3.581
  232   2HB   ASN  33           HB1      ASN  33   2.582  -6.394   4.727
  233   1HD2  ASN  33          HD22      ASN  33   2.159  -8.447   1.759
  234   2HD2  ASN  33          HD21      ASN  33   3.226  -8.239   3.064
  235    H    LYS  34           HN       LYS  34   3.760  -4.051   2.496
  236    HA   LYS  34           HA       LYS  34   2.770  -1.784   1.120
  237   1HB   LYS  34           HB2      LYS  34   4.589  -2.474  -0.614
  238   2HB   LYS  34           HB1      LYS  34   5.110  -2.085   1.025
  239   1HG   LYS  34           HG2      LYS  34   5.610  -4.267   1.535
  240   2HG   LYS  34           HG1      LYS  34   4.347  -4.923   0.488
  241   1HD   LYS  34           HD2      LYS  34   6.988  -3.719  -0.408
  242   2HD   LYS  34           HD1      LYS  34   6.548  -5.426  -0.464
  243   1HE   LYS  34           HE2      LYS  34   5.577  -5.121  -2.470
  244   2HE   LYS  34           HE1      LYS  34   4.486  -3.927  -1.769
  245   1HZ   LYS  34           HZ2      LYS  34   6.591  -2.418  -1.947
  246   2HZ   LYS  34           HZ1      LYS  34   7.038  -3.525  -3.156
  247   3HZ   LYS  34           HZ3      LYS  34   5.586  -2.660  -3.297
  248    H    CYS  35           HN       CYS  35   2.522  -5.242   0.267
  249    HA   CYS  35           HA       CYS  35   1.443  -4.696  -2.348
  250   1HB   CYS  35           HB2      CYS  35   2.424  -6.923  -1.509
  251   2HB   CYS  35           HB1      CYS  35   0.871  -7.172  -0.710
  252    H    ASN  36           HN       ASN  36  -0.198  -5.994   0.545
  253    HA   ASN  36           HA       ASN  36  -2.830  -5.706  -0.182
  254   1HB   ASN  36           HB2      ASN  36  -2.099  -4.621   2.520
  255   2HB   ASN  36           HB1      ASN  36  -3.399  -5.723   2.074
  256   1HD2  ASN  36          HD22      ASN  36  -0.760  -8.405   1.700
  257   2HD2  ASN  36          HD21      ASN  36  -1.734  -7.585   0.591
  258    H    PHE  37           HN       PHE  37  -0.635  -3.077   0.789
  259    HA   PHE  37           HA       PHE  37  -2.684  -1.026   0.761
  260   1HB   PHE  37           HB2      PHE  37  -0.549  -0.712   1.935
  261   2HB   PHE  37           HB1      PHE  37   0.319  -0.759   0.558
  262    HD1  PHE  37           HD1      PHE  37  -2.885   0.922   1.223
  263    HD2  PHE  37           HD2      PHE  37   1.206   1.271   0.087
  264    HE1  PHE  37           HE1      PHE  37  -3.249   3.346   0.734
  265    HE2  PHE  37           HE2      PHE  37   0.885   3.686  -0.401
  266    HZ   PHE  37           HZ       PHE  37  -1.351   4.721  -0.077
  267    H    CYS  38           HN       CYS  38  -0.008  -1.627  -1.374
  268    HA   CYS  38           HA       CYS  38  -0.597   0.151  -3.445
  269   1HB   CYS  38           HB2      CYS  38   0.867  -2.474  -3.380
  270   2HB   CYS  38           HB1      CYS  38   0.643  -1.612  -4.899
  271    H    ASN  39           HN       ASN  39  -1.391  -3.365  -3.508
  272    HA   ASN  39           HA       ASN  39  -2.810  -3.579  -5.821
  273   1HB   ASN  39           HB2      ASN  39  -3.122  -4.759  -3.107
  274   2HB   ASN  39           HB1      ASN  39  -4.458  -4.978  -4.223
  275   1HD2  ASN  39          HD22      ASN  39  -1.597  -7.549  -4.620
  276   2HD2  ASN  39          HD21      ASN  39  -2.192  -6.852  -3.194
  277    H    ALA  40           HN       ALA  40  -3.772  -1.834  -2.936
  278    HA   ALA  40           HA       ALA  40  -6.502  -1.345  -3.816
  279   1HB   ALA  40           HB3      ALA  40  -5.702  -1.239  -1.411
  280   2HB   ALA  40           HB2      ALA  40  -4.851   0.247  -1.830
  281   3HB   ALA  40           HB1      ALA  40  -6.610   0.180  -1.935
  282    H    VAL  41           HN       VAL  41  -3.518   0.590  -3.660
  283    HA   VAL  41           HA       VAL  41  -4.425   2.945  -4.896
  284    HB   VAL  41           HB       VAL  41  -1.731   1.581  -5.166
  285   1HG1  VAL  41          HG11      VAL  41  -2.733   3.809  -6.550
  286   2HG1  VAL  41          HG13      VAL  41  -1.735   4.482  -5.263
  287   3HG1  VAL  41          HG12      VAL  41  -1.042   3.331  -6.405
  288   1HG2  VAL  41          HG23      VAL  41  -2.481   2.053  -2.832
  289   2HG2  VAL  41          HG22      VAL  41  -1.073   3.008  -3.296
  290   3HG2  VAL  41          HG21      VAL  41  -2.672   3.751  -3.265
  291    H    VAL  42           HN       VAL  42  -2.727   0.253  -6.559
  292    HA   VAL  42           HA       VAL  42  -3.177   1.231  -9.168
  293    HB   VAL  42           HB       VAL  42  -1.509  -0.499  -8.513
  294   1HG1  VAL  42          HG12      VAL  42  -4.032  -2.027  -8.008
  295   2HG1  VAL  42          HG11      VAL  42  -2.635  -2.904  -8.633
  296   3HG1  VAL  42          HG13      VAL  42  -2.518  -2.033  -7.105
  297   1HG2  VAL  42          HG22      VAL  42  -3.085  -0.314 -10.845
  298   2HG2  VAL  42          HG21      VAL  42  -1.466  -0.996 -10.696
  299   3HG2  VAL  42          HG23      VAL  42  -2.880  -2.036 -10.521
  300    H    GLU  43           HN       GLU  43  -5.339  -0.586  -7.050
  301    HA   GLU  43           HA       GLU  43  -7.117  -1.177  -9.340
  302   1HB   GLU  43           HB2      GLU  43  -6.638  -2.581  -7.046
  303   2HB   GLU  43           HB1      GLU  43  -8.095  -1.700  -6.605
  304   1HG   GLU  43           HG2      GLU  43  -8.813  -2.482  -9.073
  305   2HG   GLU  43           HG1      GLU  43  -7.711  -3.799  -8.670
  306    H    SER  44           HN       SER  44  -6.556   1.354  -7.185
  307    HA   SER  44           HA       SER  44  -9.389   2.252  -7.386
  308   1HB   SER  44           HB2      SER  44  -9.144   3.370  -5.384
  309   2HB   SER  44           HB1      SER  44  -7.979   2.073  -5.131
  310    HG   SER  44           HG       SER  44  -7.530   4.649  -5.111
  311    H    ASN  45           HN       ASN  45  -6.998   2.512  -9.363
  312    HA   ASN  45           HA       ASN  45  -6.327   4.102 -10.929
  313   1HB   ASN  45           HB2      ASN  45  -8.798   5.401  -9.781
  314   2HB   ASN  45           HB1      ASN  45  -7.806   6.211 -10.981
  315   1HD2  ASN  45          HD22      ASN  45  -9.911   4.524 -13.316
  316   2HD2  ASN  45          HD21      ASN  45  -9.600   6.015 -12.568
  317    H    GLY  46           HN       GLY  46  -5.628   4.210  -7.888
  318   1HA   GLY  46           HA2      GLY  46  -3.969   5.394  -6.731
  319   2HA   GLY  46           HA1      GLY  46  -3.789   6.455  -8.116
  320    H    THR  47           HN       THR  47  -6.965   6.011  -6.838
  321    HA   THR  47           HA       THR  47  -6.989   8.819  -5.917
  322    HB   THR  47           HB       THR  47  -9.381   8.604  -5.859
  323    HG1  THR  47           HG1      THR  47 -10.104   6.295  -6.409
  324   1HG2  THR  47          HG23      THR  47  -7.909   8.113  -8.150
  325   2HG2  THR  47          HG22      THR  47  -9.085   6.799  -8.149
  326   3HG2  THR  47          HG21      THR  47  -9.635   8.475  -8.103
  327    H    LEU  48           HN       LEU  48  -6.208   5.858  -4.663
  328    HA   LEU  48           HA       LEU  48  -7.397   6.155  -2.021
  329   1HB   LEU  48           HB2      LEU  48  -7.181   3.922  -2.721
  330   2HB   LEU  48           HB1      LEU  48  -5.604   4.209  -3.447
  331    HG   LEU  48           HG       LEU  48  -4.765   4.623  -1.052
  332   1HD1  LEU  48          HD13      LEU  48  -7.379   4.625  -0.424
  333   2HD1  LEU  48          HD12      LEU  48  -7.006   2.925  -0.140
  334   3HD1  LEU  48          HD11      LEU  48  -6.115   4.181   0.723
  335   1HD2  LEU  48          HD23      LEU  48  -5.766   1.950  -2.035
  336   2HD2  LEU  48          HD22      LEU  48  -4.151   2.630  -2.233
  337   3HD2  LEU  48          HD21      LEU  48  -4.704   2.122  -0.637
  338    H    THR  49           HN       THR  49  -4.051   5.444  -2.760
  339    HA   THR  49           HA       THR  49  -2.048   6.412  -2.063
  340    HB   THR  49           HB       THR  49  -1.923   8.690  -2.020
  341    HG1  THR  49           HG1      THR  49  -3.321   9.967  -0.861
  342   1HG2  THR  49          HG22      THR  49  -3.783   7.775  -3.758
  343   2HG2  THR  49          HG21      THR  49  -4.732   8.969  -2.871
  344   3HG2  THR  49          HG23      THR  49  -3.248   9.454  -3.692
  345    H    LEU  50           HN       LEU  50  -1.109   7.309   0.062
  346    HA   LEU  50           HA       LEU  50  -2.747   6.346   2.335
  347   1HB   LEU  50           HB2      LEU  50  -1.235   4.688   2.477
  348   2HB   LEU  50           HB1      LEU  50  -0.228   5.441   1.255
  349    HG   LEU  50           HG       LEU  50  -0.183   6.466   4.082
  350   1HD1  LEU  50          HD13      LEU  50   1.251   4.109   2.878
  351   2HD1  LEU  50          HD12      LEU  50   1.709   4.877   4.398
  352   3HD1  LEU  50          HD11      LEU  50   0.138   4.089   4.245
  353   1HD2  LEU  50          HD21      LEU  50   0.993   7.317   1.745
  354   2HD2  LEU  50          HD23      LEU  50   1.669   7.602   3.349
  355   3HD2  LEU  50          HD22      LEU  50   2.231   6.235   2.385
  356    H    SER  51           HN       SER  51  -1.885   7.234   4.491
  357    HA   SER  51           HA       SER  51  -1.198  10.112   4.072
  358   1HB   SER  51           HB2      SER  51  -3.282   9.028   5.577
  359   2HB   SER  51           HB1      SER  51  -2.028   9.244   6.736
  360    HG   SER  51           HG       SER  51  -1.848  11.415   6.072
  361    H    HIS  52           HN       HIS  52  -0.424   7.168   5.806
  362    HA   HIS  52           HA       HIS  52   2.322   8.060   6.238
  363   1HB   HIS  52           HB2      HIS  52   2.248   7.934   8.676
  364   2HB   HIS  52           HB1      HIS  52   1.065   9.122   8.128
  365    HD1  HIS  52           HD1      HIS  52   1.205   6.725  10.598
  366    HD2  HIS  52           HD2      HIS  52  -1.511   7.253   7.467
  367    HE1  HIS  52           HE1      HIS  52  -0.903   5.476  11.247
  368    H    PHE  53           HN       PHE  53   3.565   6.288   7.320
  369    HA   PHE  53           HA       PHE  53   2.678   3.693   6.314
  370   1HB   PHE  53           HB2      PHE  53   5.146   4.588   7.824
  371   2HB   PHE  53           HB1      PHE  53   4.876   2.925   7.304
  372    HD1  PHE  53           HD2      PHE  53   5.110   6.434   6.060
  373    HD2  PHE  53           HD1      PHE  53   5.318   2.259   5.074
  374    HE1  PHE  53           HE2      PHE  53   5.927   7.010   3.792
  375    HE2  PHE  53           HE1      PHE  53   6.134   2.835   2.805
  376    HZ   PHE  53           HZ       PHE  53   6.439   5.212   2.164
  377    H    GLY  54           HN       GLY  54   3.063   1.773   7.957
  378   1HA   GLY  54           HA2      GLY  54   2.586   0.775  10.045
  379   2HA   GLY  54           HA1      GLY  54   2.359   2.365  10.724
  380    H    LYS  55           HN       LYS  55   0.432   1.159  11.704
  381    HA   LYS  55           HA       LYS  55  -1.837   0.866   9.834
  382   1HB   LYS  55           HB2      LYS  55  -2.298   0.641  12.754
  383   2HB   LYS  55           HB1      LYS  55  -2.847  -0.405  11.446
  384   1HG   LYS  55           HG2      LYS  55  -0.304  -1.032  11.247
  385   2HG   LYS  55           HG1      LYS  55  -0.219  -0.422  12.900
  386   1HD   LYS  55           HD2      LYS  55  -2.195  -1.948  13.424
  387   2HD   LYS  55           HD1      LYS  55  -1.915  -2.694  11.850
  388   1HE   LYS  55           HE2      LYS  55  -0.759  -3.918  13.680
  389   2HE   LYS  55           HE1      LYS  55   0.377  -3.268  12.498
  390   1HZ   LYS  55           HZ3      LYS  55  -0.225  -1.420  14.605
  391   2HZ   LYS  55           HZ2      LYS  55   0.471  -2.859  15.182
  392   3HZ   LYS  55           HZ1      LYS  55   1.280  -1.931  14.011
  393    H    CYS  56           HN       CYS  56  -3.333   2.434   9.537
  394    HA   CYS  56           HA       CYS  56  -3.027   5.049  10.639
  395   1HB   CYS  56           HB2      CYS  56  -4.579   3.856   8.630
  396   2HB   CYS  56           HB1      CYS  56  -5.749   4.495   9.785
   
  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  12.794   7.880   9.011
    2   2H    LEU   1           HT2      LEU   1  13.710   6.550   8.480
    3   3H    LEU   1           HT1      LEU   1  14.402   8.101   8.522
    4    HA   LEU   1           HA       LEU   1  13.257   8.838   6.682
    5   1HB   LEU   1           HB2      LEU   1  14.079   5.967   6.501
    6   2HB   LEU   1           HB1      LEU   1  13.223   6.676   5.131
    7    HG   LEU   1           HG       LEU   1  15.632   7.990   6.402
    8   1HD1  LEU   1          HD12      LEU   1  15.428   5.813   4.360
    9   2HD1  LEU   1          HD11      LEU   1  16.647   7.066   4.120
   10   3HD1  LEU   1          HD13      LEU   1  16.666   6.086   5.586
   11   1HD2  LEU   1          HD21      LEU   1  13.714   8.721   4.393
   12   2HD2  LEU   1          HD23      LEU   1  15.096   9.649   4.974
   13   3HD2  LEU   1          HD22      LEU   1  15.290   8.531   3.625
   14    H    ALA   2           HN       ALA   2  11.100   9.246   7.696
   15    HA   ALA   2           HA       ALA   2   9.086   7.128   7.222
   16   1HB   ALA   2           HB3      ALA   2   8.881   9.862   8.522
   17   2HB   ALA   2           HB2      ALA   2   7.542   8.722   8.376
   18   3HB   ALA   2           HB1      ALA   2   8.952   8.307   9.352
   19    H    ALA   3           HN       ALA   3   7.495  10.040   6.924
   20    HA   ALA   3           HA       ALA   3   6.740  11.290   5.077
   21   1HB   ALA   3           HB3      ALA   3   9.323  10.847   4.414
   22   2HB   ALA   3           HB2      ALA   3   8.532   9.911   3.146
   23   3HB   ALA   3           HB1      ALA   3   8.179  11.630   3.324
   24    H    VAL   4           HN       VAL   4   5.910  10.704   2.677
   25    HA   VAL   4           HA       VAL   4   4.881   7.903   2.686
   26    HB   VAL   4           HB       VAL   4   3.056   9.167   3.600
   27   1HG1  VAL   4          HG11      VAL   4   4.194  11.263   1.986
   28   2HG1  VAL   4          HG13      VAL   4   2.479  11.101   1.606
   29   3HG1  VAL   4          HG12      VAL   4   2.990  11.391   3.270
   30   1HG2  VAL   4          HG23      VAL   4   2.931   7.943   1.042
   31   2HG2  VAL   4          HG22      VAL   4   1.610   8.164   2.191
   32   3HG2  VAL   4          HG21      VAL   4   1.922   9.387   0.959
   33    H    SER   5           HN       SER   5   5.989   7.202   0.864
   34    HA   SER   5           HA       SER   5   5.149   8.300  -1.704
   35   1HB   SER   5           HB2      SER   5   7.401   8.909  -2.483
   36   2HB   SER   5           HB1      SER   5   6.948   9.881  -1.086
   37    HG   SER   5           HG       SER   5   9.089   8.454  -1.334
   38    H    VAL   6           HN       VAL   6   4.462   6.088  -1.967
   39    HA   VAL   6           HA       VAL   6   6.731   4.190  -2.430
   40    HB   VAL   6           HB       VAL   6   3.876   3.416  -1.770
   41   1HG1  VAL   6          HG13      VAL   6   5.328   1.759  -2.959
   42   2HG1  VAL   6          HG12      VAL   6   6.483   1.869  -1.630
   43   3HG1  VAL   6          HG11      VAL   6   4.865   1.228  -1.342
   44   1HG2  VAL   6          HG21      VAL   6   5.822   4.568  -0.043
   45   2HG2  VAL   6          HG23      VAL   6   4.282   3.834   0.406
   46   3HG2  VAL   6          HG22      VAL   6   5.744   2.850   0.341
   47    H    ASP   7           HN       ASP   7   6.647   2.984  -4.380
   48    HA   ASP   7           HA       ASP   7   4.899   4.180  -6.450
   49   1HB   ASP   7           HB2      ASP   7   7.495   3.632  -6.596
   50   2HB   ASP   7           HB1      ASP   7   6.897   2.038  -7.061
   51    H    CYS   8           HN       CYS   8   3.464   2.936  -7.716
   52    HA   CYS   8           HA       CYS   8   3.018   0.127  -6.819
   53   1HB   CYS   8           HB2      CYS   8   0.889   2.246  -7.258
   54   2HB   CYS   8           HB1      CYS   8   0.566   0.538  -6.944
   55    H    SER   9           HN       SER   9   4.352   1.301  -9.201
   56    HA   SER   9           HA       SER   9   2.531   0.998 -11.444
   57   1HB   SER   9           HB2      SER   9   4.639   2.397 -11.464
   58   2HB   SER   9           HB1      SER   9   5.556   0.894 -11.495
   59    HG   SER   9           HG       SER   9   3.648   1.811 -13.390
   60    H    GLU  10           HN       GLU  10   4.505  -1.128  -9.565
   61    HA   GLU  10           HA       GLU  10   4.350  -3.291 -11.580
   62   1HB   GLU  10           HB2      GLU  10   5.506  -3.282  -8.771
   63   2HB   GLU  10           HB1      GLU  10   5.662  -4.593  -9.939
   64   1HG   GLU  10           HG2      GLU  10   7.626  -3.515 -10.427
   65   2HG   GLU  10           HG1      GLU  10   6.565  -2.549 -11.453
   66    H    TYR  11           HN       TYR  11   2.033  -2.039 -10.005
   67    HA   TYR  11           HA       TYR  11   0.950  -4.550  -8.849
   68   1HB   TYR  11           HB2      TYR  11   0.484  -1.633  -8.154
   69   2HB   TYR  11           HB1      TYR  11  -0.481  -2.941  -7.482
   70    HD1  TYR  11           HD2      TYR  11   2.923  -1.516  -7.709
   71    HD2  TYR  11           HD1      TYR  11   0.424  -4.438  -5.793
   72    HE1  TYR  11           HE2      TYR  11   4.705  -1.943  -6.039
   73    HE2  TYR  11           HE1      TYR  11   2.216  -4.873  -4.124
   74    HH   TYR  11           HH       TYR  11   5.361  -3.928  -4.521
   75    HA   PRO  12           HA       PRO  12  -1.136  -4.539  -7.899
   76   1HB   PRO  12           HB2      PRO  12  -3.214  -6.292  -8.336
   77   2HB   PRO  12           HB1      PRO  12  -3.438  -4.582  -7.940
   78   1HG   PRO  12           HG2      PRO  12  -3.875  -5.955 -10.522
   79   2HG   PRO  12           HG1      PRO  12  -4.480  -4.381  -9.977
   80   1HD   PRO  12           HD2      PRO  12  -2.254  -4.904 -11.710
   81   2HD   PRO  12           HD1      PRO  12  -2.834  -3.328 -11.213
   82    H    LYS  13           HN       LYS  13   0.087  -6.198  -7.164
   83    HA   LYS  13           HA       LYS  13   1.203  -8.120  -9.060
   84   1HB   LYS  13           HB2      LYS  13   1.810  -7.110  -6.408
   85   2HB   LYS  13           HB1      LYS  13   1.913  -8.869  -6.449
   86   1HG   LYS  13           HG2      LYS  13   3.247  -8.496  -8.662
   87   2HG   LYS  13           HG1      LYS  13   3.461  -6.852  -8.055
   88   1HD   LYS  13           HD2      LYS  13   4.340  -7.820  -5.914
   89   2HD   LYS  13           HD1      LYS  13   4.267  -9.418  -6.658
   90   1HE   LYS  13           HE2      LYS  13   5.889  -8.826  -8.312
   91   2HE   LYS  13           HE1      LYS  13   5.782  -7.114  -7.903
   92   1HZ   LYS  13           HZ3      LYS  13   6.435  -8.723  -5.639
   93   2HZ   LYS  13           HZ2      LYS  13   7.571  -8.910  -6.888
   94   3HZ   LYS  13           HZ1      LYS  13   7.237  -7.366  -6.264
   95    HA   PRO  14           HA       PRO  14  -1.732 -11.307  -8.146
   96   1HB   PRO  14           HB2      PRO  14  -0.357 -13.369  -9.330
   97   2HB   PRO  14           HB1      PRO  14  -1.249 -12.141 -10.242
   98   1HG   PRO  14           HG2      PRO  14   1.693 -12.444  -9.889
   99   2HG   PRO  14           HG1      PRO  14   0.796 -11.680 -11.210
  100   1HD   PRO  14           HD2      PRO  14   2.128 -10.329  -9.127
  101   2HD   PRO  14           HD1      PRO  14   0.963  -9.619 -10.227
  102    H    ALA  15           HN       ALA  15   0.867 -10.740  -6.422
  103    HA   ALA  15           HA       ALA  15   0.386 -12.793  -4.462
  104   1HB   ALA  15           HB3      ALA  15   1.826 -13.905  -6.352
  105   2HB   ALA  15           HB2      ALA  15   3.144 -12.964  -5.655
  106   3HB   ALA  15           HB1      ALA  15   2.288 -14.150  -4.669
  107    H    CYS  16           HN       CYS  16   1.350 -12.185  -2.473
  108    HA   CYS  16           HA       CYS  16   3.181  -9.832  -2.580
  109   1HB   CYS  16           HB2      CYS  16   0.793 -10.147  -0.740
  110   2HB   CYS  16           HB1      CYS  16   1.937  -8.808  -0.724
  111    H    THR  17           HN       THR  17   4.744  -9.789  -0.932
  112    HA   THR  17           HA       THR  17   5.572 -12.244   0.211
  113    HB   THR  17           HB       THR  17   7.046 -10.892   1.641
  114    HG1  THR  17           HG1      THR  17   5.742  -9.258   2.287
  115   1HG2  THR  17          HG22      THR  17   7.501 -11.153  -0.826
  116   2HG2  THR  17          HG21      THR  17   6.769  -9.565  -1.063
  117   3HG2  THR  17          HG23      THR  17   8.234  -9.726  -0.093
  118    H    LEU  18           HN       LEU  18   5.945 -11.925   2.910
  119    HA   LEU  18           HA       LEU  18   3.167 -11.622   3.958
  120   1HB   LEU  18           HB2      LEU  18   3.573 -13.510   5.456
  121   2HB   LEU  18           HB1      LEU  18   3.846 -14.017   3.790
  122    HG   LEU  18           HG       LEU  18   6.331 -13.077   4.548
  123   1HD1  LEU  18          HD13      LEU  18   5.470 -12.920   6.900
  124   2HD1  LEU  18          HD12      LEU  18   5.174 -14.658   6.863
  125   3HD1  LEU  18          HD11      LEU  18   6.820 -14.040   6.725
  126   1HD2  LEU  18          HD22      LEU  18   5.047 -15.557   3.865
  127   2HD2  LEU  18          HD21      LEU  18   6.735 -15.099   3.639
  128   3HD2  LEU  18          HD23      LEU  18   6.221 -15.857   5.146
  129    H    GLU  19           HN       GLU  19   6.502 -10.796   4.294
  130    HA   GLU  19           HA       GLU  19   6.737 -10.312   7.033
  131   1HB   GLU  19           HB2      GLU  19   8.415  -8.672   6.497
  132   2HB   GLU  19           HB1      GLU  19   8.538  -9.953   5.296
  133   1HG   GLU  19           HG2      GLU  19   6.663  -7.974   4.358
  134   2HG   GLU  19           HG1      GLU  19   8.150  -7.192   4.851
  135    H    TYR  20           HN       TYR  20   5.779  -8.893   8.380
  136    HA   TYR  20           HA       TYR  20   3.555  -7.344   7.268
  137   1HB   TYR  20           HB2      TYR  20   3.409  -8.717   9.387
  138   2HB   TYR  20           HB1      TYR  20   4.336  -7.446  10.176
  139    HD1  TYR  20           HD2      TYR  20   1.727  -7.101   7.492
  140    HD2  TYR  20           HD1      TYR  20   2.757  -6.442  11.617
  141    HE1  TYR  20           HE2      TYR  20  -0.356  -5.766   7.797
  142    HE2  TYR  20           HE1      TYR  20   0.682  -5.119  11.919
  143    HH   TYR  20           HH       TYR  20  -0.878  -3.695  10.059
  144    H    ARG  21           HN       ARG  21   3.574  -5.368   6.815
  145    HA   ARG  21           HA       ARG  21   5.027  -3.297   8.258
  146   1HB   ARG  21           HB2      ARG  21   5.946  -4.296   5.580
  147   2HB   ARG  21           HB1      ARG  21   5.978  -2.555   5.869
  148   1HG   ARG  21           HG2      ARG  21   7.053  -3.551   8.200
  149   2HG   ARG  21           HG1      ARG  21   7.686  -4.667   6.991
  150   1HD   ARG  21           HD2      ARG  21   8.350  -2.617   5.628
  151   2HD   ARG  21           HD1      ARG  21   7.983  -1.658   7.062
  152    HE   ARG  21           HE       ARG  21  10.194  -3.635   6.837
  153   1HH1  ARG  21          HH11      ARG  21   8.336  -2.588   9.343
  154   2HH1  ARG  21          HH12      ARG  21   9.590  -1.754  10.199
  155   1HH2  ARG  21          HH21      ARG  21  11.874  -1.976   7.599
  156   2HH2  ARG  21          HH22      ARG  21  11.594  -1.408   9.211
  157    HA   PRO  22           HA       PRO  22   0.817  -2.740   6.368
  158   1HB   PRO  22           HB2      PRO  22  -0.136  -1.447   8.637
  159   2HB   PRO  22           HB1      PRO  22  -0.241  -3.206   8.337
  160   1HG   PRO  22           HG2      PRO  22   1.671  -1.670  10.067
  161   2HG   PRO  22           HG1      PRO  22   0.996  -3.290  10.311
  162   1HD   PRO  22           HD2      PRO  22   3.559  -2.856   9.408
  163   2HD   PRO  22           HD1      PRO  22   2.619  -4.310   9.003
  164    H    LEU  23           HN       LEU  23   0.288  -1.016   5.130
  165    HA   LEU  23           HA       LEU  23   1.334   1.644   6.021
  166   1HB   LEU  23           HB2      LEU  23   0.654   0.552   3.262
  167   2HB   LEU  23           HB1      LEU  23   1.129   2.222   3.580
  168    HG   LEU  23           HG       LEU  23   3.074   0.781   4.908
  169   1HD1  LEU  23          HD12      LEU  23   2.083  -0.729   2.516
  170   2HD1  LEU  23          HD11      LEU  23   3.807  -0.737   2.891
  171   3HD1  LEU  23          HD13      LEU  23   2.645  -1.344   4.070
  172   1HD2  LEU  23          HD21      LEU  23   3.290   2.769   3.376
  173   2HD2  LEU  23          HD23      LEU  23   4.551   1.552   3.182
  174   3HD2  LEU  23          HD22      LEU  23   3.229   1.644   2.018
  175    H    CYS  24           HN       CYS  24  -0.365   3.460   5.628
  176    HA   CYS  24           HA       CYS  24  -3.107   2.246   5.716
  177   1HB   CYS  24           HB2      CYS  24  -2.011   3.482   7.826
  178   2HB   CYS  24           HB1      CYS  24  -2.688   4.892   7.016
  179    H    GLY  25           HN       GLY  25  -4.713   3.190   4.479
  180   1HA   GLY  25           HA2      GLY  25  -3.802   5.146   2.467
  181   2HA   GLY  25           HA1      GLY  25  -5.061   4.090   2.296
  182    H    SER  26           HN       SER  26  -5.081   6.749   1.636
  183    HA   SER  26           HA       SER  26  -6.128   8.560   3.540
  184   1HB   SER  26           HB2      SER  26  -7.259   8.855   0.833
  185   2HB   SER  26           HB1      SER  26  -6.241   9.958   1.750
  186    HG   SER  26           HG       SER  26  -5.498   7.750   0.170
  187    H    ASP  27           HN       ASP  27  -7.602   5.794   2.110
  188    HA   ASP  27           HA       ASP  27 -10.342   6.763   2.661
  189   1HB   ASP  27           HB2      ASP  27 -10.900   4.339   1.950
  190   2HB   ASP  27           HB1      ASP  27 -10.264   5.422   0.713
  191    H    ASN  28           HN       ASN  28  -8.181   6.234   4.747
  192    HA   ASN  28           HA       ASN  28  -8.069   5.367   6.910
  193   1HB   ASN  28           HB2      ASN  28 -10.250   6.492   7.139
  194   2HB   ASN  28           HB1      ASN  28 -11.059   5.067   6.484
  195   1HD2  ASN  28          HD22      ASN  28  -9.298   4.643  10.188
  196   2HD2  ASN  28          HD21      ASN  28  -8.539   5.621   9.027
  197    H    LYS  29           HN       LYS  29  -8.185   3.536   4.393
  198    HA   LYS  29           HA       LYS  29  -8.947   1.020   5.752
  199   1HB   LYS  29           HB2      LYS  29  -9.740   1.514   3.408
  200   2HB   LYS  29           HB1      LYS  29  -8.057   1.411   2.890
  201   1HG   LYS  29           HG2      LYS  29  -7.895  -0.864   3.670
  202   2HG   LYS  29           HG1      LYS  29  -9.496  -0.769   4.396
  203   1HD   LYS  29           HD2      LYS  29  -9.031  -0.362   1.436
  204   2HD   LYS  29           HD1      LYS  29  -9.378  -1.945   2.132
  205   1HE   LYS  29           HE2      LYS  29 -11.555  -1.393   2.657
  206   2HE   LYS  29           HE1      LYS  29 -11.178   0.316   2.881
  207   1HZ   LYS  29           HZ3      LYS  29 -10.737   0.294   0.380
  208   2HZ   LYS  29           HZ2      LYS  29 -11.601  -1.168   0.365
  209   3HZ   LYS  29           HZ1      LYS  29 -12.351   0.260   0.899
  210    H    THR  30           HN       THR  30  -7.354  -0.052   6.740
  211    HA   THR  30           HA       THR  30  -4.553   0.681   6.247
  212    HB   THR  30           HB       THR  30  -5.824  -1.310   8.149
  213    HG1  THR  30           HG1      THR  30  -5.877   1.153   8.328
  214   1HG2  THR  30          HG21      THR  30  -3.291  -1.570   7.229
  215   2HG2  THR  30          HG23      THR  30  -3.014  -0.404   8.522
  216   3HG2  THR  30          HG22      THR  30  -3.751  -1.964   8.884
  217    H    TYR  31           HN       TYR  31  -3.257  -0.387   4.860
  218    HA   TYR  31           HA       TYR  31  -4.223  -2.946   3.755
  219   1HB   TYR  31           HB2      TYR  31  -1.824  -2.190   2.461
  220   2HB   TYR  31           HB1      TYR  31  -3.436  -2.155   1.821
  221    HD1  TYR  31           HD2      TYR  31  -0.862  -0.279   3.400
  222    HD2  TYR  31           HD1      TYR  31  -4.743  -0.009   1.680
  223    HE1  TYR  31           HE2      TYR  31  -0.642   2.204   3.204
  224    HE2  TYR  31           HE1      TYR  31  -4.525   2.435   1.479
  225    HH   TYR  31           HH       TYR  31  -2.773   4.082   1.340
  226    H    GLY  32           HN       GLY  32  -3.131  -4.867   4.136
  227   1HA   GLY  32           HA2      GLY  32  -1.758  -5.335   6.441
  228   2HA   GLY  32           HA1      GLY  32  -1.500  -6.318   5.009
  229    H    ASN  33           HN       ASN  33  -0.197  -4.320   3.394
  230    HA   ASN  33           HA       ASN  33   1.971  -3.143   4.852
  231   1HB   ASN  33           HB2      ASN  33   3.753  -4.698   4.206
  232   2HB   ASN  33           HB1      ASN  33   2.516  -5.577   5.096
  233   1HD2  ASN  33          HD22      ASN  33   2.599  -7.854   2.357
  234   2HD2  ASN  33          HD21      ASN  33   3.032  -7.614   3.983
  235    H    LYS  34           HN       LYS  34   3.935  -3.567   2.754
  236    HA   LYS  34           HA       LYS  34   3.235  -1.405   1.096
  237   1HB   LYS  34           HB2      LYS  34   5.273  -1.751   0.001
  238   2HB   LYS  34           HB1      LYS  34   5.557  -2.481   1.576
  239   1HG   LYS  34           HG2      LYS  34   5.026  -4.711   0.649
  240   2HG   LYS  34           HG1      LYS  34   4.743  -3.977  -0.935
  241   1HD   LYS  34           HD2      LYS  34   7.317  -3.192   0.214
  242   2HD   LYS  34           HD1      LYS  34   7.182  -4.935  -0.021
  243   1HE   LYS  34           HE2      LYS  34   7.999  -4.157  -2.094
  244   2HE   LYS  34           HE1      LYS  34   6.268  -4.341  -2.373
  245   1HZ   LYS  34           HZ2      LYS  34   6.327  -1.857  -1.483
  246   2HZ   LYS  34           HZ1      LYS  34   7.877  -1.922  -2.172
  247   3HZ   LYS  34           HZ3      LYS  34   6.511  -2.241  -3.125
  248    H    CYS  35           HN       CYS  35   3.231  -4.913   0.241
  249    HA   CYS  35           HA       CYS  35   2.116  -4.493  -2.343
  250   1HB   CYS  35           HB2      CYS  35   3.210  -6.631  -1.371
  251   2HB   CYS  35           HB1      CYS  35   1.613  -6.968  -0.700
  252    H    ASN  36           HN       ASN  36   0.509  -5.647   0.651
  253    HA   ASN  36           HA       ASN  36  -2.140  -5.564  -0.280
  254   1HB   ASN  36           HB2      ASN  36  -1.625  -4.437   2.445
  255   2HB   ASN  36           HB1      ASN  36  -2.826  -5.619   1.933
  256   1HD2  ASN  36          HD22      ASN  36  -0.158  -8.232   1.788
  257   2HD2  ASN  36          HD21      ASN  36  -1.206  -7.522   0.668
  258    H    PHE  37           HN       PHE  37   0.073  -2.968   0.364
  259    HA   PHE  37           HA       PHE  37  -1.998  -0.947   0.552
  260   1HB   PHE  37           HB2      PHE  37   0.064  -0.412   1.589
  261   2HB   PHE  37           HB1      PHE  37   0.991  -0.705   0.263
  262    HD1  PHE  37           HD1      PHE  37  -2.238   0.903   0.382
  263    HD2  PHE  37           HD2      PHE  37   1.926   1.462  -0.256
  264    HE1  PHE  37           HE1      PHE  37  -2.711   3.212  -0.326
  265    HE2  PHE  37           HE2      PHE  37   1.506   3.811  -0.990
  266    HZ   PHE  37           HZ       PHE  37  -0.828   4.690  -1.029
  267    H    CYS  38           HN       CYS  38   0.562  -1.287  -1.810
  268    HA   CYS  38           HA       CYS  38  -0.409   0.374  -3.783
  269   1HB   CYS  38           HB2      CYS  38   1.163  -2.182  -3.911
  270   2HB   CYS  38           HB1      CYS  38   0.608  -1.429  -5.405
  271    H    ASN  39           HN       ASN  39  -1.654  -2.731  -2.787
  272    HA   ASN  39           HA       ASN  39  -3.316  -3.179  -5.108
  273   1HB   ASN  39           HB2      ASN  39  -3.027  -4.304  -2.373
  274   2HB   ASN  39           HB1      ASN  39  -4.613  -4.472  -3.108
  275   1HD2  ASN  39          HD22      ASN  39  -1.582  -6.738  -4.428
  276   2HD2  ASN  39          HD21      ASN  39  -1.383  -5.668  -3.135
  277    H    ALA  40           HN       ALA  40  -3.852  -1.752  -1.888
  278    HA   ALA  40           HA       ALA  40  -6.579  -1.007  -2.272
  279   1HB   ALA  40           HB2      ALA  40  -4.325  -0.062  -0.507
  280   2HB   ALA  40           HB1      ALA  40  -5.808   0.889  -0.576
  281   3HB   ALA  40           HB3      ALA  40  -5.861  -0.792  -0.040
  282    H    VAL  41           HN       VAL  41  -3.623   0.177  -3.544
  283    HA   VAL  41           HA       VAL  41  -4.723   2.803  -4.314
  284    HB   VAL  41           HB       VAL  41  -2.052   1.444  -4.729
  285   1HG1  VAL  41          HG13      VAL  41  -2.720   2.979  -6.623
  286   2HG1  VAL  41          HG12      VAL  41  -2.797   4.291  -5.446
  287   3HG1  VAL  41          HG11      VAL  41  -1.265   3.472  -5.758
  288   1HG2  VAL  41          HG21      VAL  41  -2.925   2.420  -2.454
  289   2HG2  VAL  41          HG23      VAL  41  -1.289   2.799  -2.988
  290   3HG2  VAL  41          HG22      VAL  41  -2.583   3.979  -3.205
  291    H    VAL  42           HN       VAL  42  -4.015  -0.327  -5.731
  292    HA   VAL  42           HA       VAL  42  -4.407   0.643  -8.470
  293    HB   VAL  42           HB       VAL  42  -3.946  -1.604  -9.150
  294   1HG1  VAL  42          HG12      VAL  42  -2.297  -0.263  -7.225
  295   2HG1  VAL  42          HG11      VAL  42  -2.159  -2.005  -6.978
  296   3HG1  VAL  42          HG13      VAL  42  -1.799  -1.306  -8.557
  297   1HG2  VAL  42          HG23      VAL  42  -5.163  -2.217  -6.572
  298   2HG2  VAL  42          HG22      VAL  42  -5.013  -3.229  -8.008
  299   3HG2  VAL  42          HG21      VAL  42  -3.688  -3.135  -6.853
  300    H    GLU  43           HN       GLU  43  -6.356  -0.565  -5.896
  301    HA   GLU  43           HA       GLU  43  -8.548  -1.326  -7.728
  302   1HB   GLU  43           HB2      GLU  43  -7.796  -2.347  -5.308
  303   2HB   GLU  43           HB1      GLU  43  -9.063  -1.232  -4.817
  304   1HG   GLU  43           HG2      GLU  43  -9.773  -2.772  -7.202
  305   2HG   GLU  43           HG1      GLU  43  -9.467  -3.789  -5.794
  306    H    SER  44           HN       SER  44  -7.392   1.372  -5.961
  307    HA   SER  44           HA       SER  44 -10.075   2.656  -5.986
  308   1HB   SER  44           HB2      SER  44  -9.228   3.247  -3.943
  309   2HB   SER  44           HB1      SER  44  -7.558   3.052  -4.467
  310    HG   SER  44           HG       SER  44  -9.296   5.240  -4.729
  311    H    ASN  45           HN       ASN  45  -7.807   2.201  -8.202
  312    HA   ASN  45           HA       ASN  45  -7.421   3.332 -10.234
  313   1HB   ASN  45           HB2      ASN  45  -9.738   4.558  -9.330
  314   2HB   ASN  45           HB1      ASN  45  -8.604   5.898  -9.452
  315   1HD2  ASN  45          HD22      ASN  45  -9.289   6.052 -12.906
  316   2HD2  ASN  45          HD21      ASN  45  -9.223   6.877 -11.424
  317    H    GLY  46           HN       GLY  46  -6.243   3.920  -7.298
  318   1HA   GLY  46           HA2      GLY  46  -4.173   4.848  -6.682
  319   2HA   GLY  46           HA1      GLY  46  -4.008   5.510  -8.303
  320    H    THR  47           HN       THR  47  -7.033   6.260  -7.022
  321    HA   THR  47           HA       THR  47  -6.196   9.057  -6.586
  322    HB   THR  47           HB       THR  47  -8.290   8.381  -7.881
  323    HG1  THR  47           HG1      THR  47  -7.968  10.469  -6.985
  324   1HG2  THR  47          HG21      THR  47  -8.773   6.753  -5.766
  325   2HG2  THR  47          HG23      THR  47  -9.752   8.149  -5.315
  326   3HG2  THR  47          HG22      THR  47 -10.035   7.331  -6.852
  327    H    LEU  48           HN       LEU  48  -5.952   6.467  -4.719
  328    HA   LEU  48           HA       LEU  48  -7.263   7.430  -2.297
  329   1HB   LEU  48           HB2      LEU  48  -7.301   5.155  -2.227
  330   2HB   LEU  48           HB1      LEU  48  -5.917   5.008  -3.295
  331    HG   LEU  48           HG       LEU  48  -4.959   6.036  -0.803
  332   1HD1  LEU  48          HD12      LEU  48  -7.320   4.780  -0.363
  333   2HD1  LEU  48          HD11      LEU  48  -6.165   3.457  -0.198
  334   3HD1  LEU  48          HD13      LEU  48  -6.003   4.898   0.804
  335   1HD2  LEU  48          HD22      LEU  48  -4.440   3.992  -2.732
  336   2HD2  LEU  48          HD21      LEU  48  -3.365   4.581  -1.463
  337   3HD2  LEU  48          HD23      LEU  48  -4.463   3.240  -1.137
  338    H    THR  49           HN       THR  49  -3.967   6.302  -2.659
  339    HA   THR  49           HA       THR  49  -1.920   7.416  -2.342
  340    HB   THR  49           HB       THR  49  -1.751   9.611  -1.668
  341    HG1  THR  49           HG1      THR  49  -3.910  10.525  -0.764
  342   1HG2  THR  49          HG22      THR  49  -3.733   8.953  -3.556
  343   2HG2  THR  49          HG21      THR  49  -4.306  10.358  -2.654
  344   3HG2  THR  49          HG23      THR  49  -2.747  10.413  -3.477
  345    H    LEU  50           HN       LEU  50  -0.570   7.031  -0.697
  346    HA   LEU  50           HA       LEU  50  -1.576   5.716   1.670
  347   1HB   LEU  50           HB2      LEU  50   0.515   4.947   0.849
  348   2HB   LEU  50           HB1      LEU  50   1.134   6.578   0.637
  349    HG   LEU  50           HG       LEU  50   0.934   6.761   3.227
  350   1HD1  LEU  50          HD11      LEU  50   0.123   4.010   2.692
  351   2HD1  LEU  50          HD13      LEU  50   1.488   4.094   3.805
  352   3HD1  LEU  50          HD12      LEU  50  -0.010   4.946   4.181
  353   1HD2  LEU  50          HD22      LEU  50   2.934   5.939   1.441
  354   2HD2  LEU  50          HD21      LEU  50   3.168   6.526   3.087
  355   3HD2  LEU  50          HD23      LEU  50   3.020   4.796   2.782
  356    H    SER  51           HN       SER  51  -1.159   6.632   3.894
  357    HA   SER  51           HA       SER  51  -1.029   9.618   3.858
  358   1HB   SER  51           HB2      SER  51  -3.171   8.113   4.780
  359   2HB   SER  51           HB1      SER  51  -2.240   8.388   6.226
  360    HG   SER  51           HG       SER  51  -2.521  10.512   6.043
  361    H    HIS  52           HN       HIS  52   0.253   6.670   5.043
  362    HA   HIS  52           HA       HIS  52   2.607   7.775   6.108
  363   1HB   HIS  52           HB2      HIS  52   2.246   7.653   8.506
  364   2HB   HIS  52           HB1      HIS  52   1.012   8.709   7.825
  365    HD1  HIS  52           HD1      HIS  52   0.821   6.779  10.466
  366    HD2  HIS  52           HD2      HIS  52  -0.951   6.147   6.737
  367    HE1  HIS  52           HE1      HIS  52  -1.104   5.175  10.837
  368    H    PHE  53           HN       PHE  53   3.867   6.099   7.227
  369    HA   PHE  53           HA       PHE  53   3.260   3.446   6.190
  370   1HB   PHE  53           HB2      PHE  53   5.501   4.568   7.878
  371   2HB   PHE  53           HB1      PHE  53   5.380   2.848   7.509
  372    HD1  PHE  53           HD2      PHE  53   4.908   6.066   5.639
  373    HD2  PHE  53           HD1      PHE  53   6.688   2.159   5.709
  374    HE1  PHE  53           HE2      PHE  53   5.895   6.479   3.407
  375    HE2  PHE  53           HE1      PHE  53   7.679   2.571   3.471
  376    HZ   PHE  53           HZ       PHE  53   7.282   4.732   2.320
  377    H    GLY  54           HN       GLY  54   3.299   1.538   7.672
  378   1HA   GLY  54           HA2      GLY  54   2.667   0.391   9.643
  379   2HA   GLY  54           HA1      GLY  54   2.500   1.904  10.457
  380    H    LYS  55           HN       LYS  55   0.482   0.779  11.261
  381    HA   LYS  55           HA       LYS  55  -1.754   0.775   9.378
  382   1HB   LYS  55           HB2      LYS  55  -1.996  -1.044  10.749
  383   2HB   LYS  55           HB1      LYS  55  -1.096  -0.332  12.042
  384   1HG   LYS  55           HG2      LYS  55  -3.090  -0.340  13.027
  385   2HG   LYS  55           HG1      LYS  55  -3.222   1.216  12.259
  386   1HD   LYS  55           HD2      LYS  55  -4.898   0.516  10.893
  387   2HD   LYS  55           HD1      LYS  55  -4.038  -0.970  10.491
  388   1HE   LYS  55           HE2      LYS  55  -4.689  -1.673  12.942
  389   2HE   LYS  55           HE1      LYS  55  -5.931  -0.435  12.760
  390   1HZ   LYS  55           HZ3      LYS  55  -5.494  -2.620  10.802
  391   2HZ   LYS  55           HZ2      LYS  55  -6.622  -2.707  12.071
  392   3HZ   LYS  55           HZ1      LYS  55  -6.793  -1.531  10.856
  393    H    CYS  56           HN       CYS  56  -3.786   1.900  10.351
  394    HA   CYS  56           HA       CYS  56  -3.088   4.695  10.822
  395   1HB   CYS  56           HB2      CYS  56  -5.628   3.163  10.426
  396   2HB   CYS  56           HB1      CYS  56  -5.719   4.758  11.175
   
  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  10.734   4.402  -6.590
    2   2H    LEU   1           HT3      LEU   1  12.027   4.825  -7.604
    3   3H    LEU   1           HT2      LEU   1  12.259   3.686  -6.364
    4    HA   LEU   1           HA       LEU   1  13.209   5.790  -5.714
    5   1HB   LEU   1           HB2      LEU   1  10.969   6.803  -7.085
    6   2HB   LEU   1           HB1      LEU   1  10.717   7.237  -5.394
    7    HG   LEU   1           HG       LEU   1  13.396   7.772  -5.733
    8   1HD1  LEU   1          HD11      LEU   1  11.990   7.971  -8.340
    9   2HD1  LEU   1          HD13      LEU   1  12.999   9.349  -7.900
   10   3HD1  LEU   1          HD12      LEU   1  13.705   7.736  -8.001
   11   1HD2  LEU   1          HD23      LEU   1  10.961   9.166  -5.242
   12   2HD2  LEU   1          HD22      LEU   1  12.600   9.688  -4.858
   13   3HD2  LEU   1          HD21      LEU   1  11.881  10.113  -6.411
   14    H    ALA   2           HN       ALA   2  11.828   7.174  -3.668
   15    HA   ALA   2           HA       ALA   2  10.589   5.060  -1.993
   16   1HB   ALA   2           HB2      ALA   2  13.289   5.632  -1.748
   17   2HB   ALA   2           HB1      ALA   2  12.557   6.645  -0.505
   18   3HB   ALA   2           HB3      ALA   2  12.282   4.904  -0.496
   19    H    ALA   3           HN       ALA   3  11.956   8.284  -1.270
   20    HA   ALA   3           HA       ALA   3  10.915  10.110  -0.198
   21   1HB   ALA   3           HB1      ALA   3  10.099  10.094  -2.668
   22   2HB   ALA   3           HB3      ALA   3   8.571   9.518  -2.000
   23   3HB   ALA   3           HB2      ALA   3   9.213  11.085  -1.509
   24    H    VAL   4           HN       VAL   4   8.152  10.590   0.247
   25    HA   VAL   4           HA       VAL   4   7.687   8.631   2.423
   26    HB   VAL   4           HB       VAL   4   6.355  11.283   1.785
   27   1HG1  VAL   4          HG11      VAL   4   5.528   9.080   3.462
   28   2HG1  VAL   4          HG13      VAL   4   5.886  10.492   4.457
   29   3HG1  VAL   4          HG12      VAL   4   4.700  10.607   3.156
   30   1HG2  VAL   4          HG22      VAL   4   8.583  10.398   3.580
   31   2HG2  VAL   4          HG21      VAL   4   8.424  11.885   2.645
   32   3HG2  VAL   4          HG23      VAL   4   7.517  11.686   4.144
   33    H    SER   5           HN       SER   5   7.208   7.172   0.385
   34    HA   SER   5           HA       SER   5   4.454   6.505   0.426
   35   1HB   SER   5           HB2      SER   5   3.558   7.383  -1.562
   36   2HB   SER   5           HB1      SER   5   4.480   8.740  -0.923
   37    HG   SER   5           HG       SER   5   6.140   8.232  -2.331
   38    H    VAL   6           HN       VAL   6   4.102   4.537  -0.662
   39    HA   VAL   6           HA       VAL   6   6.555   3.237  -1.681
   40    HB   VAL   6           HB       VAL   6   3.795   2.051  -1.263
   41   1HG1  VAL   6          HG13      VAL   6   6.560   0.873  -1.642
   42   2HG1  VAL   6          HG12      VAL   6   5.176  -0.063  -1.081
   43   3HG1  VAL   6          HG11      VAL   6   5.154   0.662  -2.687
   44   1HG2  VAL   6          HG21      VAL   6   6.151   2.400   0.598
   45   2HG2  VAL   6          HG23      VAL   6   4.466   2.834   0.880
   46   3HG2  VAL   6          HG22      VAL   6   4.947   1.138   0.854
   47    H    ASP   7           HN       ASP   7   6.861   2.751  -3.828
   48    HA   ASP   7           HA       ASP   7   4.922   3.853  -5.747
   49   1HB   ASP   7           HB2      ASP   7   7.229   4.292  -6.245
   50   2HB   ASP   7           HB1      ASP   7   7.657   2.591  -6.052
   51    H    CYS   8           HN       CYS   8   3.217   2.577  -6.280
   52    HA   CYS   8           HA       CYS   8   3.671  -0.370  -6.464
   53   1HB   CYS   8           HB2      CYS   8   1.035   1.116  -6.287
   54   2HB   CYS   8           HB1      CYS   8   1.283  -0.622  -6.133
   55    H    SER   9           HN       SER   9   4.709   0.511  -8.637
   56    HA   SER   9           HA       SER   9   2.686   1.065 -10.712
   57   1HB   SER   9           HB2      SER   9   4.818   2.288 -10.791
   58   2HB   SER   9           HB1      SER   9   5.699   0.766 -10.889
   59    HG   SER   9           HG       SER   9   4.172   2.099 -12.799
   60    H    GLU  10           HN       GLU  10   4.513  -1.586  -9.461
   61    HA   GLU  10           HA       GLU  10   4.087  -3.276 -11.835
   62   1HB   GLU  10           HB2      GLU  10   5.177  -5.030 -10.483
   63   2HB   GLU  10           HB1      GLU  10   6.133  -3.548 -10.472
   64   1HG   GLU  10           HG2      GLU  10   4.223  -3.432  -8.330
   65   2HG   GLU  10           HG1      GLU  10   5.097  -4.961  -8.233
   66    H    TYR  11           HN       TYR  11   2.207  -2.260  -9.271
   67    HA   TYR  11           HA       TYR  11   0.787  -4.735  -8.754
   68   1HB   TYR  11           HB2      TYR  11   0.401  -1.833  -8.001
   69   2HB   TYR  11           HB1      TYR  11  -0.746  -3.075  -7.512
   70    HD1  TYR  11           HD2      TYR  11   2.694  -1.826  -7.166
   71    HD2  TYR  11           HD1      TYR  11  -0.100  -4.842  -5.917
   72    HE1  TYR  11           HE2      TYR  11   4.226  -2.484  -5.332
   73    HE2  TYR  11           HE1      TYR  11   1.442  -5.501  -4.079
   74    HH   TYR  11           HH       TYR  11   4.012  -3.612  -3.076
   75    HA   PRO  12           HA       PRO  12  -1.354  -4.694  -7.916
   76   1HB   PRO  12           HB2      PRO  12  -3.427  -6.412  -8.509
   77   2HB   PRO  12           HB1      PRO  12  -3.652  -4.704  -8.104
   78   1HG   PRO  12           HG2      PRO  12  -3.948  -6.039 -10.724
   79   2HG   PRO  12           HG1      PRO  12  -4.556  -4.460 -10.203
   80   1HD   PRO  12           HD2      PRO  12  -2.236  -5.020 -11.794
   81   2HD   PRO  12           HD1      PRO  12  -2.816  -3.433 -11.335
   82    H    LYS  13           HN       LYS  13  -0.524  -6.577  -7.020
   83    HA   LYS  13           HA       LYS  13   0.702  -8.486  -8.938
   84   1HB   LYS  13           HB2      LYS  13   1.384  -7.399  -6.301
   85   2HB   LYS  13           HB1      LYS  13   1.599  -9.144  -6.404
   86   1HG   LYS  13           HG2      LYS  13   2.870  -8.735  -8.575
   87   2HG   LYS  13           HG1      LYS  13   2.851  -7.021  -8.156
   88   1HD   LYS  13           HD2      LYS  13   3.961  -7.538  -6.006
   89   2HD   LYS  13           HD1      LYS  13   4.007  -9.245  -6.447
   90   1HE   LYS  13           HE2      LYS  13   5.509  -8.843  -8.252
   91   2HE   LYS  13           HE1      LYS  13   5.236  -7.103  -8.190
   92   1HZ   LYS  13           HZ2      LYS  13   6.150  -7.268  -5.837
   93   2HZ   LYS  13           HZ1      LYS  13   6.733  -8.798  -6.291
   94   3HZ   LYS  13           HZ3      LYS  13   7.259  -7.413  -7.116
   95    HA   PRO  14           HA       PRO  14  -2.226 -11.572  -7.675
   96   1HB   PRO  14           HB2      PRO  14  -0.975 -13.702  -8.877
   97   2HB   PRO  14           HB1      PRO  14  -1.924 -12.498  -9.766
   98   1HG   PRO  14           HG2      PRO  14   1.033 -12.835  -9.642
   99   2HG   PRO  14           HG1      PRO  14   0.041 -12.101 -10.912
  100   1HD   PRO  14           HD2      PRO  14   1.560 -10.710  -8.985
  101   2HD   PRO  14           HD1      PRO  14   0.333 -10.011 -10.023
  102    H    ALA  15           HN       ALA  15   0.511 -10.978  -6.188
  103    HA   ALA  15           HA       ALA  15   0.170 -13.002  -4.145
  104   1HB   ALA  15           HB3      ALA  15   1.602 -14.017  -6.145
  105   2HB   ALA  15           HB2      ALA  15   2.898 -13.096  -5.380
  106   3HB   ALA  15           HB1      ALA  15   2.041 -14.338  -4.467
  107    H    CYS  16           HN       CYS  16   0.540 -11.813  -2.329
  108    HA   CYS  16           HA       CYS  16   2.313  -9.447  -2.510
  109   1HB   CYS  16           HB2      CYS  16   0.537 -10.378  -0.231
  110   2HB   CYS  16           HB1      CYS  16   1.371  -8.832  -0.334
  111    H    THR  17           HN       THR  17   4.114  -9.158  -1.102
  112    HA   THR  17           HA       THR  17   5.687 -11.453  -0.550
  113    HB   THR  17           HB       THR  17   7.057  -9.941   0.875
  114    HG1  THR  17           HG1      THR  17   5.473  -7.766   0.285
  115   1HG2  THR  17          HG22      THR  17   6.926  -9.898  -1.752
  116   2HG2  THR  17          HG21      THR  17   6.210  -8.308  -1.493
  117   3HG2  THR  17          HG23      THR  17   7.834  -8.650  -0.898
  118    H    LEU  18           HN       LEU  18   6.493 -11.262   2.135
  119    HA   LEU  18           HA       LEU  18   3.966 -11.866   3.585
  120   1HB   LEU  18           HB2      LEU  18   6.498 -13.388   4.168
  121   2HB   LEU  18           HB1      LEU  18   4.829 -13.828   4.449
  122    HG   LEU  18           HG       LEU  18   6.020 -13.547   1.692
  123   1HD1  LEU  18          HD13      LEU  18   6.916 -15.437   3.243
  124   2HD1  LEU  18          HD12      LEU  18   5.316 -16.151   3.038
  125   3HD1  LEU  18          HD11      LEU  18   6.348 -15.880   1.633
  126   1HD2  LEU  18          HD22      LEU  18   3.357 -13.677   2.635
  127   2HD2  LEU  18          HD21      LEU  18   3.904 -13.826   0.965
  128   3HD2  LEU  18          HD23      LEU  18   3.713 -15.268   1.962
  129    H    GLU  19           HN       GLU  19   6.792 -10.050   3.548
  130    HA   GLU  19           HA       GLU  19   7.369  -9.986   6.347
  131   1HB   GLU  19           HB2      GLU  19   8.430  -7.720   5.790
  132   2HB   GLU  19           HB1      GLU  19   9.090  -9.112   4.941
  133   1HG   GLU  19           HG2      GLU  19   8.767  -7.259   3.372
  134   2HG   GLU  19           HG1      GLU  19   7.666  -8.545   2.985
  135    H    TYR  20           HN       TYR  20   7.066  -7.519   7.311
  136    HA   TYR  20           HA       TYR  20   4.142  -7.012   6.967
  137   1HB   TYR  20           HB2      TYR  20   4.809  -8.137   9.119
  138   2HB   TYR  20           HB1      TYR  20   5.641  -6.649   9.559
  139    HD1  TYR  20           HD2      TYR  20   2.424  -7.201   7.725
  140    HD2  TYR  20           HD1      TYR  20   4.340  -5.635  11.237
  141    HE1  TYR  20           HE2      TYR  20   0.265  -6.238   8.471
  142    HE2  TYR  20           HE1      TYR  20   2.180  -4.671  11.983
  143    HH   TYR  20           HH       TYR  20   0.066  -4.038  11.155
  144    H    ARG  21           HN       ARG  21   3.565  -5.057   6.511
  145    HA   ARG  21           HA       ARG  21   4.989  -2.664   7.398
  146   1HB   ARG  21           HB2      ARG  21   4.954  -3.461   4.467
  147   2HB   ARG  21           HB1      ARG  21   5.287  -1.821   5.023
  148   1HG   ARG  21           HG2      ARG  21   6.998  -3.221   6.593
  149   2HG   ARG  21           HG1      ARG  21   6.986  -4.240   5.155
  150   1HD   ARG  21           HD2      ARG  21   7.442  -1.246   5.098
  151   2HD   ARG  21           HD1      ARG  21   8.745  -2.434   5.129
  152    HE   ARG  21           HE       ARG  21   7.389  -3.299   2.973
  153   1HH1  ARG  21          HH21      ARG  21   5.845  -1.114   2.215
  154   2HH1  ARG  21          HH22      ARG  21   6.917  -0.009   1.424
  155   1HH2  ARG  21          HH11      ARG  21   9.789  -1.439   2.737
  156   2HH2  ARG  21          HH12      ARG  21   9.148  -0.194   1.717
  157    HA   PRO  22           HA       PRO  22   0.410  -2.588   6.716
  158   1HB   PRO  22           HB2      PRO  22  -0.106  -1.317   9.115
  159   2HB   PRO  22           HB1      PRO  22  -0.096  -3.085   8.892
  160   1HG   PRO  22           HG2      PRO  22   2.007  -1.323  10.110
  161   2HG   PRO  22           HG1      PRO  22   1.582  -2.999  10.504
  162   1HD   PRO  22           HD2      PRO  22   3.798  -2.293   8.989
  163   2HD   PRO  22           HD1      PRO  22   2.990  -3.876   8.886
  164    H    LEU  23           HN       LEU  23   0.058  -0.955   5.233
  165    HA   LEU  23           HA       LEU  23   0.905   1.781   6.081
  166   1HB   LEU  23           HB2      LEU  23   0.269   0.936   3.255
  167   2HB   LEU  23           HB1      LEU  23   1.257   2.294   3.803
  168    HG   LEU  23           HG       LEU  23   2.331  -0.132   4.901
  169   1HD1  LEU  23          HD13      LEU  23   1.984  -0.118   1.893
  170   2HD1  LEU  23          HD12      LEU  23   2.986  -1.247   2.807
  171   3HD1  LEU  23          HD11      LEU  23   1.234  -1.258   3.011
  172   1HD2  LEU  23          HD21      LEU  23   3.144   2.287   3.642
  173   2HD2  LEU  23          HD23      LEU  23   4.127   1.148   4.561
  174   3HD2  LEU  23          HD22      LEU  23   3.941   0.946   2.819
  175    H    CYS  24           HN       CYS  24  -0.681   3.372   6.152
  176    HA   CYS  24           HA       CYS  24  -3.457   2.365   5.784
  177   1HB   CYS  24           HB2      CYS  24  -2.703   3.560   7.932
  178   2HB   CYS  24           HB1      CYS  24  -2.725   5.037   6.989
  179    H    GLY  25           HN       GLY  25  -5.039   3.959   4.785
  180   1HA   GLY  25           HA2      GLY  25  -3.752   5.482   2.577
  181   2HA   GLY  25           HA1      GLY  25  -4.984   4.405   2.291
  182    H    SER  26           HN       SER  26  -5.473   6.788   1.312
  183    HA   SER  26           HA       SER  26  -6.559   8.751   3.072
  184   1HB   SER  26           HB2      SER  26  -6.208   9.337   0.770
  185   2HB   SER  26           HB1      SER  26  -7.233   8.018   0.212
  186    HG   SER  26           HG       SER  26  -7.895  10.509   1.233
  187    H    ASP  27           HN       ASP  27  -8.195   6.072   1.358
  188    HA   ASP  27           HA       ASP  27 -10.816   6.463   2.231
  189   1HB   ASP  27           HB2      ASP  27 -11.051   3.970   2.129
  190   2HB   ASP  27           HB1      ASP  27 -10.241   4.642   0.714
  191    H    ASN  28           HN       ASN  28  -8.026   5.518   4.056
  192    HA   ASN  28           HA       ASN  28  -7.807   5.682   6.427
  193   1HB   ASN  28           HB2      ASN  28 -10.095   6.861   6.407
  194   2HB   ASN  28           HB1      ASN  28 -10.787   5.262   6.687
  195   1HD2  ASN  28          HD22      ASN  28  -8.561   7.010   9.666
  196   2HD2  ASN  28          HD21      ASN  28  -8.386   7.558   8.068
  197    H    LYS  29           HN       LYS  29  -7.412   3.385   4.904
  198    HA   LYS  29           HA       LYS  29  -8.382   1.279   6.768
  199   1HB   LYS  29           HB2      LYS  29  -9.293   1.398   4.281
  200   2HB   LYS  29           HB1      LYS  29  -7.742   0.638   3.913
  201   1HG   LYS  29           HG2      LYS  29  -8.248  -1.040   5.717
  202   2HG   LYS  29           HG1      LYS  29  -9.869  -0.357   5.807
  203   1HD   LYS  29           HD2      LYS  29  -9.126  -0.909   3.054
  204   2HD   LYS  29           HD1      LYS  29  -9.006  -2.363   4.046
  205   1HE   LYS  29           HE2      LYS  29 -11.338  -1.540   4.978
  206   2HE   LYS  29           HE1      LYS  29 -11.407  -0.674   3.443
  207   1HZ   LYS  29           HZ2      LYS  29 -10.627  -3.499   3.430
  208   2HZ   LYS  29           HZ1      LYS  29 -12.268  -3.115   3.642
  209   3HZ   LYS  29           HZ3      LYS  29 -11.450  -2.599   2.248
  210    H    THR  30           HN       THR  30  -6.856  -0.454   7.121
  211    HA   THR  30           HA       THR  30  -4.048   0.421   6.756
  212    HB   THR  30           HB       THR  30  -5.278  -1.833   8.374
  213    HG1  THR  30           HG1      THR  30  -3.780   0.229   9.469
  214   1HG2  THR  30          HG23      THR  30  -2.404  -1.034   7.891
  215   2HG2  THR  30          HG22      THR  30  -2.890  -1.901   9.347
  216   3HG2  THR  30          HG21      THR  30  -3.131  -2.636   7.763
  217    H    TYR  31           HN       TYR  31  -2.458  -1.203   5.998
  218    HA   TYR  31           HA       TYR  31  -3.589  -3.349   4.300
  219   1HB   TYR  31           HB2      TYR  31  -1.698  -1.184   3.306
  220   2HB   TYR  31           HB1      TYR  31  -2.073  -2.651   2.466
  221    HD1  TYR  31           HD2      TYR  31  -4.503  -3.173   1.860
  222    HD2  TYR  31           HD1      TYR  31  -3.186   0.678   3.241
  223    HE1  TYR  31           HE2      TYR  31  -6.575  -2.143   0.968
  224    HE2  TYR  31           HE1      TYR  31  -5.257   1.705   2.350
  225    HH   TYR  31           HH       TYR  31  -7.225   1.336   1.387
  226    H    GLY  32           HN       GLY  32  -2.734  -4.968   5.477
  227   1HA   GLY  32           HA2      GLY  32  -0.780  -5.474   7.086
  228   2HA   GLY  32           HA1      GLY  32  -0.896  -6.545   5.708
  229    H    ASN  33           HN       ASN  33   0.251  -5.376   3.640
  230    HA   ASN  33           HA       ASN  33   2.731  -4.068   4.612
  231   1HB   ASN  33           HB2      ASN  33   4.161  -5.536   3.276
  232   2HB   ASN  33           HB1      ASN  33   3.275  -6.450   4.487
  233   1HD2  ASN  33          HD22      ASN  33   2.850  -8.450   1.465
  234   2HD2  ASN  33          HD21      ASN  33   4.030  -8.126   2.637
  235    H    LYS  34           HN       LYS  34   4.138  -3.899   2.329
  236    HA   LYS  34           HA       LYS  34   3.009  -1.700   1.008
  237   1HB   LYS  34           HB2      LYS  34   4.786  -1.902  -0.579
  238   2HB   LYS  34           HB1      LYS  34   5.432  -2.532   0.938
  239   1HG   LYS  34           HG2      LYS  34   4.929  -4.838   0.214
  240   2HG   LYS  34           HG1      LYS  34   4.250  -4.213  -1.292
  241   1HD   LYS  34           HD2      LYS  34   6.617  -3.011  -1.459
  242   2HD   LYS  34           HD1      LYS  34   7.108  -4.358  -0.430
  243   1HE   LYS  34           HE2      LYS  34   5.971  -5.896  -2.106
  244   2HE   LYS  34           HE1      LYS  34   5.829  -4.498  -3.169
  245   1HZ   LYS  34           HZ1      LYS  34   8.314  -4.232  -2.791
  246   2HZ   LYS  34           HZ3      LYS  34   8.283  -5.817  -2.188
  247   3HZ   LYS  34           HZ2      LYS  34   7.814  -5.510  -3.793
  248    H    CYS  35           HN       CYS  35   2.794  -5.140   0.101
  249    HA   CYS  35           HA       CYS  35   1.526  -4.684  -2.407
  250   1HB   CYS  35           HB2      CYS  35   2.437  -6.885  -1.750
  251   2HB   CYS  35           HB1      CYS  35   1.189  -7.022  -0.510
  252    H    ASN  36           HN       ASN  36  -0.054  -5.841   0.588
  253    HA   ASN  36           HA       ASN  36  -2.695  -5.488  -0.085
  254   1HB   ASN  36           HB2      ASN  36  -1.263  -4.930   2.509
  255   2HB   ASN  36           HB1      ASN  36  -3.011  -4.730   2.370
  256   1HD2  ASN  36          HD22      ASN  36  -1.394  -8.494   2.295
  257   2HD2  ASN  36          HD21      ASN  36  -0.390  -7.138   2.130
  258    H    PHE  37           HN       PHE  37  -0.388  -2.922   0.711
  259    HA   PHE  37           HA       PHE  37  -2.363  -0.806   0.796
  260   1HB   PHE  37           HB2      PHE  37  -0.173  -0.549   1.785
  261   2HB   PHE  37           HB1      PHE  37   0.638  -0.669   0.360
  262    HD1  PHE  37           HD1      PHE  37  -2.136   1.325   1.801
  263    HD2  PHE  37           HD2      PHE  37   1.206   1.143  -0.839
  264    HE1  PHE  37           HE1      PHE  37  -2.452   3.733   1.262
  265    HE2  PHE  37           HE2      PHE  37   0.924   3.554  -1.390
  266    HZ   PHE  37           HZ       PHE  37  -0.914   4.844  -0.340
  267    H    CYS  38           HN       CYS  38  -0.153  -1.973  -1.542
  268    HA   CYS  38           HA       CYS  38  -0.694  -0.145  -3.651
  269   1HB   CYS  38           HB2      CYS  38   0.249  -3.018  -3.816
  270   2HB   CYS  38           HB1      CYS  38   0.306  -1.847  -5.129
  271    H    ASN  39           HN       ASN  39  -1.975  -3.505  -3.274
  272    HA   ASN  39           HA       ASN  39  -3.697  -3.575  -5.430
  273   1HB   ASN  39           HB2      ASN  39  -3.658  -4.764  -2.733
  274   2HB   ASN  39           HB1      ASN  39  -5.255  -4.673  -3.457
  275   1HD2  ASN  39          HD22      ASN  39  -2.817  -7.525  -4.691
  276   2HD2  ASN  39          HD21      ASN  39  -2.609  -6.660  -3.253
  277    H    ALA  40           HN       ALA  40  -3.939  -1.627  -2.537
  278    HA   ALA  40           HA       ALA  40  -6.704  -0.831  -2.945
  279   1HB   ALA  40           HB3      ALA  40  -4.672  -0.375  -0.988
  280   2HB   ALA  40           HB2      ALA  40  -5.220   1.197  -1.569
  281   3HB   ALA  40           HB1      ALA  40  -6.381   0.052  -0.896
  282    H    VAL  41           HN       VAL  41  -3.529   0.648  -3.630
  283    HA   VAL  41           HA       VAL  41  -4.485   3.008  -4.910
  284    HB   VAL  41           HB       VAL  41  -1.988   1.431  -5.637
  285   1HG1  VAL  41          HG11      VAL  41  -2.748   3.376  -7.102
  286   2HG1  VAL  41          HG13      VAL  41  -2.443   4.419  -5.713
  287   3HG1  VAL  41          HG12      VAL  41  -1.120   3.504  -6.438
  288   1HG2  VAL  41          HG23      VAL  41  -2.539   2.176  -3.117
  289   2HG2  VAL  41          HG22      VAL  41  -0.909   2.246  -3.783
  290   3HG2  VAL  41          HG21      VAL  41  -1.897   3.705  -3.720
  291    H    VAL  42           HN       VAL  42  -3.312  -0.024  -6.407
  292    HA   VAL  42           HA       VAL  42  -3.978   0.565  -9.068
  293    HB   VAL  42           HB       VAL  42  -3.826  -1.838  -9.462
  294   1HG1  VAL  42          HG13      VAL  42  -1.858  -0.288  -8.415
  295   2HG1  VAL  42          HG12      VAL  42  -1.903  -1.591  -7.226
  296   3HG1  VAL  42          HG11      VAL  42  -1.612  -1.959  -8.927
  297   1HG2  VAL  42          HG21      VAL  42  -4.549  -1.935  -6.571
  298   2HG2  VAL  42          HG23      VAL  42  -5.018  -3.017  -7.884
  299   3HG2  VAL  42          HG22      VAL  42  -3.416  -3.150  -7.159
  300    H    GLU  43           HN       GLU  43  -6.052  -0.527  -6.452
  301    HA   GLU  43           HA       GLU  43  -8.272  -1.013  -8.346
  302   1HB   GLU  43           HB2      GLU  43  -7.650  -2.216  -5.973
  303   2HB   GLU  43           HB1      GLU  43  -8.832  -1.029  -5.441
  304   1HG   GLU  43           HG2      GLU  43 -10.093  -1.934  -7.641
  305   2HG   GLU  43           HG1      GLU  43  -9.181  -3.383  -7.216
  306    H    SER  44           HN       SER  44  -6.942   1.500  -6.464
  307    HA   SER  44           HA       SER  44  -9.504   3.012  -6.540
  308   1HB   SER  44           HB2      SER  44  -8.454   4.522  -4.905
  309   2HB   SER  44           HB1      SER  44  -8.390   2.859  -4.332
  310    HG   SER  44           HG       SER  44  -6.313   4.210  -5.724
  311    H    ASN  45           HN       ASN  45  -7.138   2.504  -8.595
  312    HA   ASN  45           HA       ASN  45  -6.035   3.713 -10.236
  313   1HB   ASN  45           HB2      ASN  45  -7.393   5.097 -11.478
  314   2HB   ASN  45           HB1      ASN  45  -8.602   4.185 -10.608
  315   1HD2  ASN  45          HD22      ASN  45  -8.237   8.182  -9.951
  316   2HD2  ASN  45          HD21      ASN  45  -7.167   7.373 -10.991
  317    H    GLY  46           HN       GLY  46  -5.093   4.230  -7.632
  318   1HA   GLY  46           HA2      GLY  46  -3.610   5.692  -6.574
  319   2HA   GLY  46           HA1      GLY  46  -3.532   6.580  -8.086
  320    H    THR  47           HN       THR  47  -6.496   6.035  -6.282
  321    HA   THR  47           HA       THR  47  -6.654   8.979  -5.810
  322    HB   THR  47           HB       THR  47  -9.087   8.606  -5.584
  323    HG1  THR  47           HG1      THR  47  -9.174   6.538  -4.823
  324   1HG2  THR  47          HG22      THR  47  -7.789   7.409  -8.036
  325   2HG2  THR  47          HG21      THR  47  -9.485   7.887  -7.945
  326   3HG2  THR  47          HG23      THR  47  -8.216   9.101  -7.787
  327    H    LEU  48           HN       LEU  48  -5.937   6.098  -4.289
  328    HA   LEU  48           HA       LEU  48  -7.161   6.633  -1.709
  329   1HB   LEU  48           HB2      LEU  48  -6.736   4.407  -1.627
  330   2HB   LEU  48           HB1      LEU  48  -5.767   4.517  -3.077
  331    HG   LEU  48           HG       LEU  48  -4.254   5.547  -0.828
  332   1HD1  LEU  48          HD13      LEU  48  -5.968   3.886   0.203
  333   2HD1  LEU  48          HD12      LEU  48  -4.896   2.681  -0.513
  334   3HD1  LEU  48          HD11      LEU  48  -4.266   3.836   0.661
  335   1HD2  LEU  48          HD23      LEU  48  -4.035   3.227  -2.743
  336   2HD2  LEU  48          HD22      LEU  48  -3.196   4.776  -2.839
  337   3HD2  LEU  48          HD21      LEU  48  -2.780   3.625  -1.568
  338    H    THR  49           HN       THR  49  -3.882   6.503  -2.901
  339    HA   THR  49           HA       THR  49  -1.932   7.574  -2.347
  340    HB   THR  49           HB       THR  49  -2.003   9.812  -1.561
  341    HG1  THR  49           HG1      THR  49  -4.720   9.947  -1.220
  342   1HG2  THR  49          HG22      THR  49  -3.689   8.842  -3.686
  343   2HG2  THR  49          HG21      THR  49  -4.262  10.393  -3.070
  344   3HG2  THR  49          HG23      THR  49  -2.608  10.236  -3.661
  345    H    LEU  50           HN       LEU  50  -0.580   7.045  -0.825
  346    HA   LEU  50           HA       LEU  50  -1.351   5.638   1.489
  347   1HB   LEU  50           HB2      LEU  50   0.846   5.310   0.619
  348   2HB   LEU  50           HB1      LEU  50   1.198   7.033   0.628
  349    HG   LEU  50           HG       LEU  50   0.818   6.781   3.238
  350   1HD1  LEU  50          HD11      LEU  50   0.110   4.358   2.909
  351   2HD1  LEU  50          HD13      LEU  50   1.783   4.016   2.470
  352   3HD1  LEU  50          HD12      LEU  50   1.399   4.609   4.087
  353   1HD2  LEU  50          HD23      LEU  50   3.265   5.766   1.768
  354   2HD2  LEU  50          HD22      LEU  50   2.898   7.458   2.104
  355   3HD2  LEU  50          HD21      LEU  50   3.239   6.348   3.433
  356    H    SER  51           HN       SER  51  -1.270   6.369   3.719
  357    HA   SER  51           HA       SER  51  -1.752   9.308   4.014
  358   1HB   SER  51           HB2      SER  51  -2.710   8.455   6.276
  359   2HB   SER  51           HB1      SER  51  -3.646   8.150   4.837
  360    HG   SER  51           HG       SER  51  -3.532   6.196   5.710
  361    H    HIS  52           HN       HIS  52  -0.227   6.499   5.387
  362    HA   HIS  52           HA       HIS  52   2.187   7.866   6.160
  363   1HB   HIS  52           HB2      HIS  52   1.918   7.743   8.597
  364   2HB   HIS  52           HB1      HIS  52   0.634   8.744   7.917
  365    HD1  HIS  52           HD1      HIS  52   0.381   7.002  10.615
  366    HD2  HIS  52           HD2      HIS  52  -1.079   5.942   6.860
  367    HE1  HIS  52           HE1      HIS  52  -1.447   5.282  10.993
  368    H    PHE  53           HN       PHE  53   3.652   6.349   7.258
  369    HA   PHE  53           HA       PHE  53   3.189   3.605   6.384
  370   1HB   PHE  53           HB2      PHE  53   5.442   4.913   7.925
  371   2HB   PHE  53           HB1      PHE  53   5.432   3.207   7.474
  372    HD1  PHE  53           HD2      PHE  53   5.541   6.666   6.209
  373    HD2  PHE  53           HD1      PHE  53   5.699   2.505   5.157
  374    HE1  PHE  53           HE2      PHE  53   6.347   7.272   3.952
  375    HE2  PHE  53           HE1      PHE  53   6.510   3.111   2.891
  376    HZ   PHE  53           HZ       PHE  53   6.834   5.495   2.287
  377    H    GLY  54           HN       GLY  54   2.659   1.889   7.657
  378   1HA   GLY  54           HA2      GLY  54   2.534   0.770   9.843
  379   2HA   GLY  54           HA1      GLY  54   2.297   2.317  10.580
  380    H    LYS  55           HN       LYS  55   0.336   1.044  11.502
  381    HA   LYS  55           HA       LYS  55  -1.901   0.812   9.667
  382   1HB   LYS  55           HB2      LYS  55  -1.871  -0.942  11.212
  383   2HB   LYS  55           HB1      LYS  55  -1.241   0.075  12.487
  384   1HG   LYS  55           HG2      LYS  55  -3.253   0.892  13.076
  385   2HG   LYS  55           HG1      LYS  55  -3.876   0.755  11.448
  386   1HD   LYS  55           HD2      LYS  55  -3.367  -1.883  12.212
  387   2HD   LYS  55           HD1      LYS  55  -4.094  -1.133  13.634
  388   1HE   LYS  55           HE2      LYS  55  -5.563  -0.218  11.386
  389   2HE   LYS  55           HE1      LYS  55  -5.375  -1.960  11.197
  390   1HZ   LYS  55           HZ3      LYS  55  -6.350  -0.609  13.655
  391   2HZ   LYS  55           HZ2      LYS  55  -7.341  -1.369  12.504
  392   3HZ   LYS  55           HZ1      LYS  55  -6.234  -2.283  13.412
  393    H    CYS  56           HN       CYS  56  -3.885   1.998  10.197
  394    HA   CYS  56           HA       CYS  56  -3.397   4.795  10.752
  395   1HB   CYS  56           HB2      CYS  56  -5.643   3.143   9.857
  396   2HB   CYS  56           HB1      CYS  56  -6.142   4.443  10.941
   
  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           HT3      LEU   1   2.352  14.100  -4.761
    2   2H    LEU   1           HT2      LEU   1   0.876  14.613  -5.431
    3   3H    LEU   1           HT1      LEU   1   2.337  14.945  -6.232
    4    HA   LEU   1           HA       LEU   1   2.427  16.891  -5.208
    5   1HB   LEU   1           HB2      LEU   1  -0.147  15.965  -4.577
    6   2HB   LEU   1           HB1      LEU   1   0.526  16.526  -3.045
    7    HG   LEU   1           HG       LEU   1   1.207  18.372  -5.160
    8   1HD1  LEU   1          HD13      LEU   1  -0.950  17.356  -6.087
    9   2HD1  LEU   1          HD12      LEU   1  -1.763  18.051  -4.686
   10   3HD1  LEU   1          HD11      LEU   1  -0.961  19.103  -5.852
   11   1HD2  LEU   1          HD23      LEU   1  -0.001  18.330  -2.454
   12   2HD2  LEU   1          HD22      LEU   1   1.232  19.403  -3.119
   13   3HD2  LEU   1          HD21      LEU   1  -0.473  19.694  -3.467
   14    H    ALA   2           HN       ALA   2   2.939  17.900  -2.977
   15    HA   ALA   2           HA       ALA   2   5.085  16.558  -1.760
   16   1HB   ALA   2           HB1      ALA   2   3.218  18.664  -0.635
   17   2HB   ALA   2           HB3      ALA   2   4.688  18.132   0.183
   18   3HB   ALA   2           HB2      ALA   2   4.791  18.923  -1.390
   19    H    ALA   3           HN       ALA   3   4.769  14.467  -1.046
   20    HA   ALA   3           HA       ALA   3   3.415  14.042   1.455
   21   1HB   ALA   3           HB1      ALA   3   1.417  14.156  -0.022
   22   2HB   ALA   3           HB3      ALA   3   2.079  12.836  -0.988
   23   3HB   ALA   3           HB2      ALA   3   1.619  12.555   0.691
   24    H    VAL   4           HN       VAL   4   3.513  11.671   2.062
   25    HA   VAL   4           HA       VAL   4   5.805  10.383   0.639
   26    HB   VAL   4           HB       VAL   4   4.913   9.922   3.499
   27   1HG1  VAL   4          HG13      VAL   4   6.327   8.209   2.132
   28   2HG1  VAL   4          HG12      VAL   4   7.628   9.386   2.310
   29   3HG1  VAL   4          HG11      VAL   4   6.886   8.669   3.740
   30   1HG2  VAL   4          HG23      VAL   4   5.828  12.294   2.725
   31   2HG2  VAL   4          HG22      VAL   4   6.394  11.557   4.225
   32   3HG2  VAL   4          HG21      VAL   4   7.380  11.458   2.766
   33    H    SER   5           HN       SER   5   5.017   8.808  -0.677
   34    HA   SER   5           HA       SER   5   3.027   6.909   0.485
   35   1HB   SER   5           HB2      SER   5   2.820   7.232  -2.418
   36   2HB   SER   5           HB1      SER   5   1.550   7.219  -1.199
   37    HG   SER   5           HG       SER   5   2.825   9.315  -2.394
   38    H    VAL   6           HN       VAL   6   2.957   5.198  -1.771
   39    HA   VAL   6           HA       VAL   6   5.818   4.391  -2.057
   40    HB   VAL   6           HB       VAL   6   3.467   2.625  -1.326
   41   1HG1  VAL   6          HG11      VAL   6   6.316   1.895  -2.068
   42   2HG1  VAL   6          HG13      VAL   6   5.127   0.773  -1.405
   43   3HG1  VAL   6          HG12      VAL   6   4.867   1.497  -2.992
   44   1HG2  VAL   6          HG23      VAL   6   5.645   3.914   0.133
   45   2HG2  VAL   6          HG22      VAL   6   4.200   3.119   0.757
   46   3HG2  VAL   6          HG21      VAL   6   5.633   2.167   0.369
   47    H    ASP   7           HN       ASP   7   6.221   3.033  -3.964
   48    HA   ASP   7           HA       ASP   7   4.598   3.864  -6.246
   49   1HB   ASP   7           HB2      ASP   7   7.111   3.565  -6.305
   50   2HB   ASP   7           HB1      ASP   7   6.841   1.825  -6.198
   51    H    CYS   8           HN       CYS   8   3.096   2.607  -7.346
   52    HA   CYS   8           HA       CYS   8   2.861  -0.261  -6.656
   53   1HB   CYS   8           HB2      CYS   8   0.556   1.693  -6.412
   54   2HB   CYS   8           HB1      CYS   8   0.496  -0.040  -6.111
   55    H    SER   9           HN       SER   9   3.761   0.683  -9.079
   56    HA   SER   9           HA       SER   9   1.455   0.839 -10.915
   57   1HB   SER   9           HB2      SER   9   4.442   1.061 -11.281
   58   2HB   SER   9           HB1      SER   9   3.339   0.976 -12.651
   59    HG   SER   9           HG       SER   9   3.490   2.919 -10.599
   60    H    GLU  10           HN       GLU  10   3.386  -1.577  -9.523
   61    HA   GLU  10           HA       GLU  10   3.021  -3.420 -11.829
   62   1HB   GLU  10           HB2      GLU  10   4.499  -3.835  -9.211
   63   2HB   GLU  10           HB1      GLU  10   4.502  -4.938 -10.587
   64   1HG   GLU  10           HG2      GLU  10   6.318  -3.806 -11.314
   65   2HG   GLU  10           HG1      GLU  10   5.202  -2.501 -11.720
   66    H    TYR  11           HN       TYR  11   0.886  -2.434  -9.842
   67    HA   TYR  11           HA       TYR  11   0.037  -5.060  -8.773
   68   1HB   TYR  11           HB2      TYR  11  -0.731  -2.210  -8.070
   69   2HB   TYR  11           HB1      TYR  11  -1.490  -3.625  -7.349
   70    HD1  TYR  11           HD2      TYR  11   1.676  -1.749  -7.707
   71    HD2  TYR  11           HD1      TYR  11  -0.315  -5.000  -5.726
   72    HE1  TYR  11           HE2      TYR  11   3.572  -1.943  -6.122
   73    HE2  TYR  11           HE1      TYR  11   1.589  -5.197  -4.138
   74    HH   TYR  11           HH       TYR  11   4.458  -4.181  -4.585
   75    HA   PRO  12           HA       PRO  12  -2.093  -5.278  -7.752
   76   1HB   PRO  12           HB2      PRO  12  -3.701  -7.456  -8.250
   77   2HB   PRO  12           HB1      PRO  12  -4.330  -5.839  -7.891
   78   1HG   PRO  12           HG2      PRO  12  -4.194  -7.257 -10.515
   79   2HG   PRO  12           HG1      PRO  12  -5.339  -6.023  -9.963
   80   1HD   PRO  12           HD2      PRO  12  -3.134  -5.567 -11.658
   81   2HD   PRO  12           HD1      PRO  12  -4.066  -4.334 -10.840
   82    H    LYS  13           HN       LYS  13  -1.630  -7.622  -6.948
   83    HA   LYS  13           HA       LYS  13   0.176  -9.065  -8.835
   84   1HB   LYS  13           HB2      LYS  13   0.811  -8.422  -5.944
   85   2HB   LYS  13           HB1      LYS  13   1.849  -9.263  -7.088
   86   1HG   LYS  13           HG2      LYS  13   1.560  -7.103  -8.542
   87   2HG   LYS  13           HG1      LYS  13   1.108  -6.357  -7.007
   88   1HD   LYS  13           HD2      LYS  13   3.222  -7.079  -6.000
   89   2HD   LYS  13           HD1      LYS  13   3.671  -7.904  -7.492
   90   1HE   LYS  13           HE2      LYS  13   3.961  -5.889  -8.668
   91   2HE   LYS  13           HE1      LYS  13   3.002  -4.968  -7.511
   92   1HZ   LYS  13           HZ2      LYS  13   5.120  -6.139  -6.126
   93   2HZ   LYS  13           HZ1      LYS  13   5.771  -5.414  -7.517
   94   3HZ   LYS  13           HZ3      LYS  13   4.856  -4.488  -6.431
   95    HA   PRO  14           HA       PRO  14  -2.113 -12.457  -7.126
   96   1HB   PRO  14           HB2      PRO  14  -0.679 -14.460  -8.348
   97   2HB   PRO  14           HB1      PRO  14  -1.891 -13.470  -9.180
   98   1HG   PRO  14           HG2      PRO  14   1.074 -13.368  -9.387
   99   2HG   PRO  14           HG1      PRO  14  -0.149 -12.858 -10.560
  100   1HD   PRO  14           HD2      PRO  14   1.349 -11.168  -8.877
  101   2HD   PRO  14           HD1      PRO  14  -0.049 -10.694  -9.803
  102    H    ALA  15           HN       ALA  15   0.632 -11.384  -5.967
  103    HA   ALA  15           HA       ALA  15   0.782 -13.344  -3.823
  104   1HB   ALA  15           HB2      ALA  15   2.627 -13.513  -6.071
  105   2HB   ALA  15           HB1      ALA  15   3.480 -13.222  -4.555
  106   3HB   ALA  15           HB3      ALA  15   2.419 -14.621  -4.713
  107    H    CYS  16           HN       CYS  16   0.864 -11.956  -2.128
  108    HA   CYS  16           HA       CYS  16   2.193  -9.335  -2.456
  109   1HB   CYS  16           HB2      CYS  16   0.498 -10.509  -0.233
  110   2HB   CYS  16           HB1      CYS  16   1.238  -8.911  -0.156
  111    H    THR  17           HN       THR  17   3.888  -8.627  -1.063
  112    HA   THR  17           HA       THR  17   5.889 -10.555  -0.439
  113    HB   THR  17           HB       THR  17   6.672  -8.547   1.129
  114    HG1  THR  17           HG1      THR  17   5.570  -6.763   0.860
  115   1HG2  THR  17          HG23      THR  17   7.500  -9.344  -1.197
  116   2HG2  THR  17          HG22      THR  17   6.539  -8.007  -1.831
  117   3HG2  THR  17          HG21      THR  17   7.862  -7.688  -0.709
  118    H    LEU  18           HN       LEU  18   6.751 -10.905   1.858
  119    HA   LEU  18           HA       LEU  18   4.424 -11.491   3.618
  120   1HB   LEU  18           HB2      LEU  18   6.080 -12.964   4.836
  121   2HB   LEU  18           HB1      LEU  18   5.774 -13.440   3.165
  122    HG   LEU  18           HG       LEU  18   7.913 -11.514   3.230
  123   1HD1  LEU  18          HD12      LEU  18   8.243 -13.944   5.015
  124   2HD1  LEU  18          HD11      LEU  18   9.568 -12.919   4.463
  125   3HD1  LEU  18          HD13      LEU  18   8.321 -12.255   5.519
  126   1HD2  LEU  18          HD23      LEU  18   7.792 -14.468   2.548
  127   2HD2  LEU  18          HD22      LEU  18   7.504 -13.132   1.432
  128   3HD2  LEU  18          HD21      LEU  18   9.112 -13.382   2.113
  129    H    GLU  19           HN       GLU  19   7.507  -9.753   3.546
  130    HA   GLU  19           HA       GLU  19   7.890  -9.116   6.208
  131   1HB   GLU  19           HB2      GLU  19   8.161  -7.400   3.735
  132   2HB   GLU  19           HB1      GLU  19   8.653  -6.839   5.335
  133   1HG   GLU  19           HG2      GLU  19  10.542  -8.047   5.256
  134   2HG   GLU  19           HG1      GLU  19   9.652  -9.507   4.835
  135    H    TYR  20           HN       TYR  20   6.622  -8.209   7.683
  136    HA   TYR  20           HA       TYR  20   4.043  -7.103   6.884
  137   1HB   TYR  20           HB2      TYR  20   4.389  -8.474   8.950
  138   2HB   TYR  20           HB1      TYR  20   5.213  -7.094   9.667
  139    HD1  TYR  20           HD2      TYR  20   2.224  -7.351   7.424
  140    HD2  TYR  20           HD1      TYR  20   3.760  -6.116  11.242
  141    HE1  TYR  20           HE2      TYR  20   0.028  -6.353   7.980
  142    HE2  TYR  20           HE1      TYR  20   1.559  -5.115  11.800
  143    HH   TYR  20           HH       TYR  20  -0.949  -4.755   9.427
  144    H    ARG  21           HN       ARG  21   3.818  -5.157   6.253
  145    HA   ARG  21           HA       ARG  21   5.099  -2.896   7.663
  146   1HB   ARG  21           HB2      ARG  21   5.187  -2.896   4.652
  147   2HB   ARG  21           HB1      ARG  21   6.167  -1.969   5.788
  148   1HG   ARG  21           HG2      ARG  21   6.976  -4.411   6.512
  149   2HG   ARG  21           HG1      ARG  21   6.502  -4.793   4.859
  150   1HD   ARG  21           HD2      ARG  21   8.495  -3.976   4.201
  151   2HD   ARG  21           HD1      ARG  21   7.912  -2.377   4.664
  152    HE   ARG  21           HE       ARG  21   9.241  -2.508   6.626
  153   1HH1  ARG  21          HH21      ARG  21   8.733  -4.841   8.048
  154   2HH1  ARG  21          HH22      ARG  21  10.033  -5.928   7.687
  155   1HH2  ARG  21          HH11      ARG  21  11.041  -4.209   4.851
  156   2HH2  ARG  21          HH12      ARG  21  11.337  -5.571   5.880
  157    HA   PRO  22           HA       PRO  22   0.618  -2.601   6.632
  158   1HB   PRO  22           HB2      PRO  22   0.029  -1.357   9.040
  159   2HB   PRO  22           HB1      PRO  22  -0.025  -3.118   8.765
  160   1HG   PRO  22           HG2      PRO  22   2.074  -1.469  10.132
  161   2HG   PRO  22           HG1      PRO  22   1.570  -3.138  10.458
  162   1HD   PRO  22           HD2      PRO  22   3.884  -2.480   9.089
  163   2HD   PRO  22           HD1      PRO  22   3.021  -4.020   8.885
  164    H    LEU  23           HN       LEU  23   0.088  -0.910   5.302
  165    HA   LEU  23           HA       LEU  23   1.046   1.795   6.160
  166   1HB   LEU  23           HB2      LEU  23   0.153   1.135   3.365
  167   2HB   LEU  23           HB1      LEU  23   1.249   2.407   3.906
  168    HG   LEU  23           HG       LEU  23   2.126  -0.353   4.516
  169   1HD1  LEU  23          HD11      LEU  23   1.371   0.508   1.815
  170   2HD1  LEU  23          HD13      LEU  23   3.025  -0.089   1.945
  171   3HD1  LEU  23          HD12      LEU  23   1.677  -1.114   2.439
  172   1HD2  LEU  23          HD23      LEU  23   3.299   2.002   4.737
  173   2HD2  LEU  23          HD22      LEU  23   4.228   0.584   4.249
  174   3HD2  LEU  23          HD21      LEU  23   3.672   1.735   3.034
  175    H    CYS  24           HN       CYS  24  -0.574   3.202   6.718
  176    HA   CYS  24           HA       CYS  24  -3.363   2.303   6.448
  177   1HB   CYS  24           HB2      CYS  24  -2.508   3.660   8.431
  178   2HB   CYS  24           HB1      CYS  24  -2.393   5.012   7.330
  179    H    GLY  25           HN       GLY  25  -4.390   2.591   4.523
  180   1HA   GLY  25           HA2      GLY  25  -3.378   4.237   2.465
  181   2HA   GLY  25           HA1      GLY  25  -4.935   3.597   2.489
  182    H    SER  26           HN       SER  26  -5.377   5.871   1.492
  183    HA   SER  26           HA       SER  26  -5.435   8.033   3.483
  184   1HB   SER  26           HB2      SER  26  -6.960   8.195   0.901
  185   2HB   SER  26           HB1      SER  26  -6.041   9.430   1.740
  186    HG   SER  26           HG       SER  26  -4.149   8.304   1.198
  187    H    ASP  27           HN       ASP  27  -7.673   5.704   2.073
  188    HA   ASP  27           HA       ASP  27 -10.106   6.825   3.060
  189   1HB   ASP  27           HB2      ASP  27 -11.000   4.522   2.885
  190   2HB   ASP  27           HB1      ASP  27 -10.057   4.944   1.455
  191    H    ASN  28           HN       ASN  28  -7.423   5.436   4.638
  192    HA   ASN  28           HA       ASN  28  -7.003   5.514   6.963
  193   1HB   ASN  28           HB2      ASN  28  -8.543   6.307   8.430
  194   2HB   ASN  28           HB1      ASN  28  -9.436   6.749   6.984
  195   1HD2  ASN  28          HD22      ASN  28 -11.336   4.444   9.490
  196   2HD2  ASN  28          HD21      ASN  28 -10.201   5.653   9.849
  197    H    LYS  29           HN       LYS  29  -7.776   3.233   5.032
  198    HA   LYS  29           HA       LYS  29  -8.430   1.162   7.056
  199   1HB   LYS  29           HB2      LYS  29  -9.766   0.912   5.113
  200   2HB   LYS  29           HB1      LYS  29  -8.402   1.173   4.031
  201   1HG   LYS  29           HG2      LYS  29  -7.888  -1.007   4.058
  202   2HG   LYS  29           HG1      LYS  29  -7.848  -1.022   5.820
  203   1HD   LYS  29           HD2      LYS  29 -10.574  -0.829   5.117
  204   2HD   LYS  29           HD1      LYS  29  -9.887  -2.055   4.049
  205   1HE   LYS  29           HE2      LYS  29 -10.353  -3.381   5.881
  206   2HE   LYS  29           HE1      LYS  29  -8.729  -2.851   6.320
  207   1HZ   LYS  29           HZ1      LYS  29 -11.128  -1.319   7.117
  208   2HZ   LYS  29           HZ3      LYS  29 -10.549  -2.608   8.055
  209   3HZ   LYS  29           HZ2      LYS  29  -9.563  -1.254   7.774
  210    H    THR  30           HN       THR  30  -6.844  -0.151   7.803
  211    HA   THR  30           HA       THR  30  -4.086   0.362   7.091
  212    HB   THR  30           HB       THR  30  -5.314  -1.906   8.699
  213    HG1  THR  30           HG1      THR  30  -4.576  -0.612  10.438
  214   1HG2  THR  30          HG23      THR  30  -3.041  -2.410   7.780
  215   2HG2  THR  30          HG22      THR  30  -2.434  -0.959   8.579
  216   3HG2  THR  30          HG21      THR  30  -3.062  -2.299   9.540
  217    H    TYR  31           HN       TYR  31  -2.666  -0.990   5.921
  218    HA   TYR  31           HA       TYR  31  -3.975  -3.152   4.345
  219   1HB   TYR  31           HB2      TYR  31  -1.899  -1.123   3.412
  220   2HB   TYR  31           HB1      TYR  31  -2.251  -2.607   2.578
  221    HD1  TYR  31           HD2      TYR  31  -4.493  -3.050   1.605
  222    HD2  TYR  31           HD1      TYR  31  -3.484   0.709   3.423
  223    HE1  TYR  31           HE2      TYR  31  -6.481  -2.008   0.552
  224    HE2  TYR  31           HE1      TYR  31  -5.473   1.752   2.369
  225    HH   TYR  31           HH       TYR  31  -7.688  -0.163   0.330
  226    H    GLY  32           HN       GLY  32  -3.196  -5.048   5.001
  227   1HA   GLY  32           HA2      GLY  32  -1.442  -5.789   6.820
  228   2HA   GLY  32           HA1      GLY  32  -1.475  -6.698   5.328
  229    H    ASN  33           HN       ASN  33  -0.221  -4.922   3.551
  230    HA   ASN  33           HA       ASN  33   2.210  -3.922   4.776
  231   1HB   ASN  33           HB2      ASN  33   3.761  -5.439   3.623
  232   2HB   ASN  33           HB1      ASN  33   2.724  -6.323   4.730
  233   1HD2  ASN  33          HD22      ASN  33   2.515  -8.379   1.745
  234   2HD2  ASN  33          HD21      ASN  33   3.527  -8.108   3.078
  235    H    LYS  34           HN       LYS  34   3.838  -3.944   2.500
  236    HA   LYS  34           HA       LYS  34   2.827  -1.729   1.086
  237   1HB   LYS  34           HB2      LYS  34   4.694  -1.992  -0.405
  238   2HB   LYS  34           HB1      LYS  34   5.246  -2.506   1.189
  239   1HG   LYS  34           HG2      LYS  34   4.709  -4.872   0.551
  240   2HG   LYS  34           HG1      LYS  34   4.333  -4.303  -1.077
  241   1HD   LYS  34           HD2      LYS  34   6.903  -3.280  -0.190
  242   2HD   LYS  34           HD1      LYS  34   6.861  -5.042  -0.109
  243   1HE   LYS  34           HE2      LYS  34   7.549  -4.607  -2.324
  244   2HE   LYS  34           HE1      LYS  34   5.820  -4.921  -2.480
  245   1HZ   LYS  34           HZ1      LYS  34   5.655  -2.372  -2.118
  246   2HZ   LYS  34           HZ3      LYS  34   7.268  -2.369  -2.638
  247   3HZ   LYS  34           HZ2      LYS  34   6.052  -2.982  -3.654
  248    H    CYS  35           HN       CYS  35   2.689  -5.184   0.199
  249    HA   CYS  35           HA       CYS  35   1.563  -4.761  -2.364
  250   1HB   CYS  35           HB2      CYS  35   2.412  -6.956  -1.664
  251   2HB   CYS  35           HB1      CYS  35   1.137  -7.072  -0.452
  252    H    ASN  36           HN       ASN  36  -0.224  -5.868   0.530
  253    HA   ASN  36           HA       ASN  36  -2.804  -5.504  -0.370
  254   1HB   ASN  36           HB2      ASN  36  -1.617  -4.990   2.352
  255   2HB   ASN  36           HB1      ASN  36  -3.347  -4.830   2.056
  256   1HD2  ASN  36          HD22      ASN  36  -1.635  -8.562   1.960
  257   2HD2  ASN  36          HD21      ASN  36  -0.646  -7.187   1.845
  258    H    PHE  37           HN       PHE  37  -0.586  -2.914   0.647
  259    HA   PHE  37           HA       PHE  37  -2.630  -0.854   0.621
  260   1HB   PHE  37           HB2      PHE  37  -0.517  -0.525   1.789
  261   2HB   PHE  37           HB1      PHE  37   0.382  -0.601   0.418
  262    HD1  PHE  37           HD1      PHE  37  -2.767   1.186   1.237
  263    HD2  PHE  37           HD2      PHE  37   1.215   1.336  -0.266
  264    HE1  PHE  37           HE1      PHE  37  -3.079   3.612   0.705
  265    HE2  PHE  37           HE2      PHE  37   0.947   3.759  -0.792
  266    HZ   PHE  37           HZ       PHE  37  -1.209   4.889  -0.299
  267    H    CYS  38           HN       CYS  38  -0.063  -1.684  -1.570
  268    HA   CYS  38           HA       CYS  38  -0.554   0.125  -3.651
  269   1HB   CYS  38           HB2      CYS  38   0.603  -2.656  -3.623
  270   2HB   CYS  38           HB1      CYS  38   0.438  -1.750  -5.125
  271    H    ASN  39           HN       ASN  39  -1.798  -3.241  -3.419
  272    HA   ASN  39           HA       ASN  39  -3.315  -3.408  -5.694
  273   1HB   ASN  39           HB2      ASN  39  -3.538  -4.456  -2.949
  274   2HB   ASN  39           HB1      ASN  39  -5.060  -4.409  -3.819
  275   1HD2  ASN  39          HD22      ASN  39  -2.544  -7.331  -4.655
  276   2HD2  ASN  39          HD21      ASN  39  -2.488  -6.399  -3.244
  277    H    ALA  40           HN       ALA  40  -3.996  -1.464  -2.828
  278    HA   ALA  40           HA       ALA  40  -6.645  -0.649  -3.690
  279   1HB   ALA  40           HB3      ALA  40  -4.668   0.505  -1.698
  280   2HB   ALA  40           HB2      ALA  40  -6.265   1.199  -1.976
  281   3HB   ALA  40           HB1      ALA  40  -6.113  -0.441  -1.345
  282    H    VAL  41           HN       VAL  41  -3.414   0.825  -3.791
  283    HA   VAL  41           HA       VAL  41  -4.098   3.236  -5.111
  284    HB   VAL  41           HB       VAL  41  -1.569   1.576  -5.334
  285   1HG1  VAL  41          HG12      VAL  41  -2.376   3.949  -6.705
  286   2HG1  VAL  41          HG11      VAL  41  -1.123   4.392  -5.544
  287   3HG1  VAL  41          HG13      VAL  41  -0.809   3.145  -6.751
  288   1HG2  VAL  41          HG21      VAL  41  -2.647   3.512  -3.326
  289   2HG2  VAL  41          HG23      VAL  41  -1.668   2.066  -3.077
  290   3HG2  VAL  41          HG22      VAL  41  -0.915   3.549  -3.662
  291    H    VAL  42           HN       VAL  42  -2.633   0.357  -6.657
  292    HA   VAL  42           HA       VAL  42  -3.068   1.198  -9.294
  293    HB   VAL  42           HB       VAL  42  -1.544  -0.620  -8.561
  294   1HG1  VAL  42          HG11      VAL  42  -4.138  -1.842  -7.807
  295   2HG1  VAL  42          HG13      VAL  42  -2.964  -2.919  -8.564
  296   3HG1  VAL  42          HG12      VAL  42  -2.540  -2.049  -7.089
  297   1HG2  VAL  42          HG21      VAL  42  -3.150  -0.457 -10.875
  298   2HG2  VAL  42          HG23      VAL  42  -1.582  -1.247 -10.709
  299   3HG2  VAL  42          HG22      VAL  42  -3.064  -2.166 -10.446
  300    H    GLU  43           HN       GLU  43  -5.401  -0.202  -7.056
  301    HA   GLU  43           HA       GLU  43  -7.212  -0.855  -9.306
  302   1HB   GLU  43           HB2      GLU  43  -6.920  -2.032  -6.866
  303   2HB   GLU  43           HB1      GLU  43  -8.265  -0.952  -6.543
  304   1HG   GLU  43           HG2      GLU  43  -8.402  -2.425  -9.101
  305   2HG   GLU  43           HG1      GLU  43  -8.547  -3.414  -7.648
  306    H    SER  44           HN       SER  44  -6.455   1.723  -7.212
  307    HA   SER  44           HA       SER  44  -9.093   3.011  -7.680
  308   1HB   SER  44           HB2      SER  44  -8.621   4.426  -5.857
  309   2HB   SER  44           HB1      SER  44  -7.934   2.885  -5.355
  310    HG   SER  44           HG       SER  44  -5.947   3.754  -6.426
  311    H    ASN  45           HN       ASN  45  -6.110   2.815  -9.119
  312    HA   ASN  45           HA       ASN  45  -5.263   4.056 -10.940
  313   1HB   ASN  45           HB2      ASN  45  -7.846   4.889 -10.922
  314   2HB   ASN  45           HB1      ASN  45  -7.033   6.389 -10.483
  315   1HD2  ASN  45          HD22      ASN  45  -5.747   4.757 -14.019
  316   2HD2  ASN  45          HD21      ASN  45  -5.927   3.754 -12.664
  317    H    GLY  46           HN       GLY  46  -4.958   4.532  -7.843
  318   1HA   GLY  46           HA2      GLY  46  -3.173   5.634  -6.737
  319   2HA   GLY  46           HA1      GLY  46  -2.940   6.658  -8.141
  320    H    THR  47           HN       THR  47  -6.203   6.505  -7.383
  321    HA   THR  47           HA       THR  47  -6.182   9.232  -6.313
  322    HB   THR  47           HB       THR  47  -7.954   8.313  -7.895
  323    HG1  THR  47           HG1      THR  47  -9.386   9.630  -7.007
  324   1HG2  THR  47          HG22      THR  47  -8.043   6.135  -6.452
  325   2HG2  THR  47          HG21      THR  47  -9.168   7.052  -5.451
  326   3HG2  THR  47          HG23      THR  47  -9.538   6.759  -7.150
  327    H    LEU  48           HN       LEU  48  -5.685   6.202  -5.014
  328    HA   LEU  48           HA       LEU  48  -7.139   6.504  -2.528
  329   1HB   LEU  48           HB2      LEU  48  -6.805   4.279  -3.217
  330   2HB   LEU  48           HB1      LEU  48  -5.142   4.585  -3.703
  331    HG   LEU  48           HG       LEU  48  -4.782   5.067  -1.153
  332   1HD1  LEU  48          HD11      LEU  48  -7.516   4.143  -1.283
  333   2HD1  LEU  48          HD13      LEU  48  -6.532   3.112  -0.243
  334   3HD1  LEU  48          HD12      LEU  48  -6.634   4.845   0.074
  335   1HD2  LEU  48          HD22      LEU  48  -4.791   2.645  -2.775
  336   2HD2  LEU  48          HD21      LEU  48  -3.565   3.236  -1.652
  337   3HD2  LEU  48          HD23      LEU  48  -4.939   2.307  -1.050
  338    H    THR  49           HN       THR  49  -3.732   5.788  -2.765
  339    HA   THR  49           HA       THR  49  -1.822   6.787  -1.880
  340    HB   THR  49           HB       THR  49  -1.710   9.041  -1.712
  341    HG1  THR  49           HG1      THR  49  -2.797  10.094  -0.239
  342   1HG2  THR  49          HG21      THR  49  -3.696   8.363  -3.491
  343   2HG2  THR  49          HG23      THR  49  -4.458   9.613  -2.507
  344   3HG2  THR  49          HG22      THR  49  -2.947   9.952  -3.350
  345    H    LEU  50           HN       LEU  50  -1.261   7.750   0.510
  346    HA   LEU  50           HA       LEU  50  -3.097   6.409   2.382
  347   1HB   LEU  50           HB2      LEU  50  -1.512   4.931   2.952
  348   2HB   LEU  50           HB1      LEU  50  -0.668   5.447   1.516
  349    HG   LEU  50           HG       LEU  50  -0.177   7.080   3.948
  350   1HD1  LEU  50          HD13      LEU  50   0.666   4.220   3.574
  351   2HD1  LEU  50          HD12      LEU  50   1.463   5.336   4.685
  352   3HD1  LEU  50          HD11      LEU  50  -0.232   4.907   4.927
  353   1HD2  LEU  50          HD21      LEU  50   1.100   6.331   1.417
  354   2HD2  LEU  50          HD23      LEU  50   1.384   7.743   2.435
  355   3HD2  LEU  50          HD22      LEU  50   2.196   6.219   2.794
  356    H    SER  51           HN       SER  51  -2.181   7.014   4.792
  357    HA   SER  51           HA       SER  51  -1.925   9.992   4.750
  358   1HB   SER  51           HB2      SER  51  -3.896   8.487   5.993
  359   2HB   SER  51           HB1      SER  51  -2.742   8.703   7.258
  360    HG   SER  51           HG       SER  51  -4.458  10.472   6.234
  361    H    HIS  52           HN       HIS  52  -0.556   6.991   5.778
  362    HA   HIS  52           HA       HIS  52   1.951   8.154   6.506
  363   1HB   HIS  52           HB2      HIS  52   1.860   7.818   8.946
  364   2HB   HIS  52           HB1      HIS  52   0.642   8.987   8.435
  365    HD1  HIS  52           HD1      HIS  52   0.656   6.684  10.879
  366    HD2  HIS  52           HD2      HIS  52  -1.664   6.809   7.406
  367    HE1  HIS  52           HE1      HIS  52  -1.362   5.203  11.297
  368    H    PHE  53           HN       PHE  53   3.452   6.529   7.196
  369    HA   PHE  53           HA       PHE  53   2.805   3.858   6.264
  370   1HB   PHE  53           HB2      PHE  53   5.238   5.060   7.601
  371   2HB   PHE  53           HB1      PHE  53   5.135   3.346   7.195
  372    HD1  PHE  53           HD2      PHE  53   4.646   6.733   5.673
  373    HD2  PHE  53           HD1      PHE  53   5.756   2.630   5.052
  374    HE1  PHE  53           HE2      PHE  53   5.255   7.254   3.330
  375    HE2  PHE  53           HE1      PHE  53   6.368   3.151   2.705
  376    HZ   PHE  53           HZ       PHE  53   6.117   5.464   1.842
  377    H    GLY  54           HN       GLY  54   2.642   1.995   7.541
  378   1HA   GLY  54           HA2      GLY  54   2.694   0.849   9.722
  379   2HA   GLY  54           HA1      GLY  54   2.351   2.375  10.477
  380    H    LYS  55           HN       LYS  55   0.580   1.036  11.502
  381    HA   LYS  55           HA       LYS  55  -1.726   0.563   9.718
  382   1HB   LYS  55           HB2      LYS  55  -1.936   0.207  12.675
  383   2HB   LYS  55           HB1      LYS  55  -2.632  -0.766  11.393
  384   1HG   LYS  55           HG2      LYS  55  -0.990  -2.162  12.270
  385   2HG   LYS  55           HG1      LYS  55  -0.194  -1.495  10.866
  386   1HD   LYS  55           HD2      LYS  55   1.413  -0.594  12.182
  387   2HD   LYS  55           HD1      LYS  55   0.202   0.203  13.188
  388   1HE   LYS  55           HE2      LYS  55   0.537  -1.297  14.830
  389   2HE   LYS  55           HE1      LYS  55   0.148  -2.618  13.727
  390   1HZ   LYS  55           HZ3      LYS  55   2.633  -1.869  12.952
  391   2HZ   LYS  55           HZ2      LYS  55   2.707  -1.685  14.640
  392   3HZ   LYS  55           HZ1      LYS  55   2.276  -3.183  13.964
  393    H    CYS  56           HN       CYS  56  -3.811   1.584  10.268
  394    HA   CYS  56           HA       CYS  56  -3.577   4.396  10.726
  395   1HB   CYS  56           HB2      CYS  56  -6.127   2.815  11.069
  396   2HB   CYS  56           HB1      CYS  56  -5.936   4.468  10.482
   
  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           HT1      LEU   1  13.097  13.564   7.635
    2   2H    LEU   1           HT3      LEU   1  12.977  12.258   8.710
    3   3H    LEU   1           HT2      LEU   1  13.182  11.972   7.048
    4    HA   LEU   1           HA       LEU   1  10.934  11.574   7.359
    5   1HB   LEU   1           HB2      LEU   1  11.018  12.564   9.707
    6   2HB   LEU   1           HB1      LEU   1  10.747  14.138   8.959
    7    HG   LEU   1           HG       LEU   1   8.670  13.256   7.912
    8   1HD1  LEU   1          HD13      LEU   1   9.776  10.763   8.956
    9   2HD1  LEU   1          HD12      LEU   1   8.098  10.998   9.442
   10   3HD1  LEU   1          HD11      LEU   1   8.531  11.007   7.733
   11   1HD2  LEU   1          HD21      LEU   1   9.164  13.687  10.740
   12   2HD2  LEU   1          HD23      LEU   1   7.781  14.186   9.768
   13   3HD2  LEU   1          HD22      LEU   1   7.808  12.584  10.504
   14    H    ALA   2           HN       ALA   2  10.277  11.971   5.299
   15    HA   ALA   2           HA       ALA   2   9.256  14.501   4.476
   16   1HB   ALA   2           HB3      ALA   2  12.115  13.916   3.783
   17   2HB   ALA   2           HB2      ALA   2  11.110  14.761   2.606
   18   3HB   ALA   2           HB1      ALA   2  11.363  15.453   4.209
   19    H    ALA   3           HN       ALA   3   8.169  12.017   4.299
   20    HA   ALA   3           HA       ALA   3   7.495  11.774   1.542
   21   1HB   ALA   3           HB2      ALA   3   9.868  10.279   2.416
   22   2HB   ALA   3           HB1      ALA   3   8.638   9.263   1.664
   23   3HB   ALA   3           HB3      ALA   3   9.305  10.637   0.784
   24    H    VAL   4           HN       VAL   4   5.460  10.976   1.671
   25    HA   VAL   4           HA       VAL   4   4.927   8.709   3.513
   26    HB   VAL   4           HB       VAL   4   2.735   9.922   4.135
   27   1HG1  VAL   4          HG11      VAL   4   5.439  10.150   5.178
   28   2HG1  VAL   4          HG13      VAL   4   4.476  11.572   5.583
   29   3HG1  VAL   4          HG12      VAL   4   3.917   9.966   6.052
   30   1HG2  VAL   4          HG22      VAL   4   4.252  12.039   2.685
   31   2HG2  VAL   4          HG21      VAL   4   2.511  11.817   2.852
   32   3HG2  VAL   4          HG23      VAL   4   3.440  12.528   4.170
   33    H    SER   5           HN       SER   5   5.053   7.876   1.157
   34    HA   SER   5           HA       SER   5   2.392   7.266   0.268
   35   1HB   SER   5           HB2      SER   5   2.792   9.695  -0.553
   36   2HB   SER   5           HB1      SER   5   3.910   8.970  -1.708
   37    HG   SER   5           HG       SER   5   1.740   9.170  -2.499
   38    H    VAL   6           HN       VAL   6   2.693   5.210  -0.431
   39    HA   VAL   6           HA       VAL   6   5.340   4.363  -1.398
   40    HB   VAL   6           HB       VAL   6   2.753   2.902  -0.830
   41   1HG1  VAL   6          HG12      VAL   6   3.903   1.905  -2.812
   42   2HG1  VAL   6          HG11      VAL   6   5.362   1.725  -1.837
   43   3HG1  VAL   6          HG13      VAL   6   3.903   0.829  -1.415
   44   1HG2  VAL   6          HG21      VAL   6   5.503   3.041   0.420
   45   2HG2  VAL   6          HG23      VAL   6   3.949   3.404   1.168
   46   3HG2  VAL   6          HG22      VAL   6   4.377   1.735   0.789
   47    H    ASP   7           HN       ASP   7   5.693   3.431  -3.489
   48    HA   ASP   7           HA       ASP   7   3.803   4.459  -5.547
   49   1HB   ASP   7           HB2      ASP   7   6.042   5.226  -5.919
   50   2HB   ASP   7           HB1      ASP   7   6.708   3.614  -5.655
   51    H    CYS   8           HN       CYS   8   2.615   3.045  -6.755
   52    HA   CYS   8           HA       CYS   8   3.354   0.151  -6.593
   53   1HB   CYS   8           HB2      CYS   8   0.545   1.251  -6.869
   54   2HB   CYS   8           HB1      CYS   8   1.015  -0.418  -6.551
   55    H    SER   9           HN       SER   9   4.540   1.320  -8.626
   56    HA   SER   9           HA       SER   9   2.804   1.519 -10.982
   57   1HB   SER   9           HB2      SER   9   4.661   3.000 -11.023
   58   2HB   SER   9           HB1      SER   9   5.784   1.732 -10.534
   59    HG   SER   9           HG       SER   9   5.715   2.332 -12.846
   60    H    GLU  10           HN       GLU  10   4.506  -0.939  -9.330
   61    HA   GLU  10           HA       GLU  10   4.561  -2.697 -11.729
   62   1HB   GLU  10           HB2      GLU  10   5.590  -3.207  -8.917
   63   2HB   GLU  10           HB1      GLU  10   5.857  -4.236 -10.324
   64   1HG   GLU  10           HG2      GLU  10   7.690  -3.021 -10.807
   65   2HG   GLU  10           HG1      GLU  10   6.644  -1.630 -11.093
   66    H    TYR  11           HN       TYR  11   2.428  -1.829  -9.353
   67    HA   TYR  11           HA       TYR  11   1.335  -4.471  -8.772
   68   1HB   TYR  11           HB2      TYR  11   0.721  -1.625  -8.016
   69   2HB   TYR  11           HB1      TYR  11  -0.480  -2.873  -7.704
   70    HD1  TYR  11           HD2      TYR  11   2.876  -1.628  -6.902
   71    HD2  TYR  11           HD1      TYR  11  -0.004  -4.714  -6.111
   72    HE1  TYR  11           HE2      TYR  11   4.190  -2.345  -4.928
   73    HE2  TYR  11           HE1      TYR  11   1.323  -5.434  -4.132
   74    HH   TYR  11           HH       TYR  11   3.860  -5.244  -3.471
   75    HA   PRO  12           HA       PRO  12  -0.824  -4.601  -7.953
   76   1HB   PRO  12           HB2      PRO  12  -2.815  -6.426  -8.484
   77   2HB   PRO  12           HB1      PRO  12  -3.120  -4.717  -8.149
   78   1HG   PRO  12           HG2      PRO  12  -3.357  -6.166 -10.710
   79   2HG   PRO  12           HG1      PRO  12  -4.021  -4.587 -10.257
   80   1HD   PRO  12           HD2      PRO  12  -1.663  -5.139 -11.807
   81   2HD   PRO  12           HD1      PRO  12  -2.328  -3.563 -11.456
   82    H    LYS  13           HN       LYS  13  -0.163  -6.590  -6.973
   83    HA   LYS  13           HA       LYS  13   1.298  -8.402  -8.830
   84   1HB   LYS  13           HB2      LYS  13   1.784  -7.326  -6.156
   85   2HB   LYS  13           HB1      LYS  13   1.995  -9.074  -6.221
   86   1HG   LYS  13           HG2      LYS  13   3.429  -8.710  -8.288
   87   2HG   LYS  13           HG1      LYS  13   3.379  -6.986  -7.916
   88   1HD   LYS  13           HD2      LYS  13   5.194  -7.387  -6.619
   89   2HD   LYS  13           HD1      LYS  13   4.051  -8.101  -5.481
   90   1HE   LYS  13           HE2      LYS  13   4.712 -10.227  -5.952
   91   2HE   LYS  13           HE1      LYS  13   4.895  -9.891  -7.674
   92   1HZ   LYS  13           HZ2      LYS  13   6.810  -8.460  -6.137
   93   2HZ   LYS  13           HZ1      LYS  13   6.909 -10.126  -5.817
   94   3HZ   LYS  13           HZ3      LYS  13   7.057  -9.559  -7.410
   95    HA   PRO  14           HA       PRO  14  -1.648 -11.573  -7.860
   96   1HB   PRO  14           HB2      PRO  14  -0.255 -13.653  -8.994
   97   2HB   PRO  14           HB1      PRO  14  -1.160 -12.456  -9.935
   98   1HG   PRO  14           HG2      PRO  14   1.785 -12.727  -9.583
   99   2HG   PRO  14           HG1      PRO  14   0.878 -11.996 -10.916
  100   1HD   PRO  14           HD2      PRO  14   2.208 -10.597  -8.860
  101   2HD   PRO  14           HD1      PRO  14   1.040  -9.914  -9.975
  102    H    ALA  15           HN       ALA  15   0.964 -10.956  -6.167
  103    HA   ALA  15           HA       ALA  15   0.506 -13.038  -4.198
  104   1HB   ALA  15           HB2      ALA  15   2.766 -13.251  -6.094
  105   2HB   ALA  15           HB1      ALA  15   3.198 -13.434  -4.394
  106   3HB   ALA  15           HB3      ALA  15   1.995 -14.501  -5.119
  107    H    CYS  16           HN       CYS  16   0.487 -11.726  -2.450
  108    HA   CYS  16           HA       CYS  16   2.148  -9.310  -2.362
  109   1HB   CYS  16           HB2      CYS  16   0.200 -10.529  -0.388
  110   2HB   CYS  16           HB1      CYS  16   1.049  -9.007  -0.117
  111    H    THR  17           HN       THR  17   3.912  -8.980  -1.000
  112    HA   THR  17           HA       THR  17   5.573 -11.166  -0.324
  113    HB   THR  17           HB       THR  17   6.400  -9.320   1.473
  114    HG1  THR  17           HG1      THR  17   4.391  -8.137   0.664
  115   1HG2  THR  17          HG22      THR  17   7.388 -10.255  -0.784
  116   2HG2  THR  17          HG21      THR  17   6.848  -8.704  -1.426
  117   3HG2  THR  17          HG23      THR  17   8.013  -8.753  -0.101
  118    H    LEU  18           HN       LEU  18   6.266 -11.106   2.327
  119    HA   LEU  18           HA       LEU  18   3.683 -11.649   3.717
  120   1HB   LEU  18           HB2      LEU  18   4.788 -13.545   4.871
  121   2HB   LEU  18           HB1      LEU  18   4.766 -13.780   3.125
  122    HG   LEU  18           HG       LEU  18   7.134 -12.320   3.832
  123   1HD1  LEU  18          HD13      LEU  18   6.494 -14.744   5.504
  124   2HD1  LEU  18          HD12      LEU  18   8.163 -14.335   5.106
  125   3HD1  LEU  18          HD11      LEU  18   7.169 -13.198   6.016
  126   1HD2  LEU  18          HD21      LEU  18   6.319 -14.800   2.434
  127   2HD2  LEU  18          HD23      LEU  18   7.445 -13.540   1.928
  128   3HD2  LEU  18          HD22      LEU  18   7.971 -14.794   3.052
  129    H    GLU  19           HN       GLU  19   7.014 -10.491   3.995
  130    HA   GLU  19           HA       GLU  19   7.225 -10.122   6.745
  131   1HB   GLU  19           HB2      GLU  19   8.554  -8.048   6.165
  132   2HB   GLU  19           HB1      GLU  19   9.075  -9.501   5.311
  133   1HG   GLU  19           HG2      GLU  19   6.983  -8.260   3.799
  134   2HG   GLU  19           HG1      GLU  19   8.190  -7.042   4.195
  135    H    TYR  20           HN       TYR  20   6.360  -8.626   8.140
  136    HA   TYR  20           HA       TYR  20   3.915  -7.318   7.164
  137   1HB   TYR  20           HB2      TYR  20   3.956  -8.651   9.289
  138   2HB   TYR  20           HB1      TYR  20   4.912  -7.361  10.012
  139    HD1  TYR  20           HD2      TYR  20   2.115  -7.060   7.533
  140    HD2  TYR  20           HD1      TYR  20   3.412  -6.401  11.581
  141    HE1  TYR  20           HE2      TYR  20   0.035  -5.776   7.988
  142    HE2  TYR  20           HE1      TYR  20   1.335  -5.125  12.032
  143    HH   TYR  20           HH       TYR  20  -0.479  -4.180  11.114
  144    H    ARG  21           HN       ARG  21   3.750  -5.327   6.706
  145    HA   ARG  21           HA       ARG  21   5.158  -3.169   8.060
  146   1HB   ARG  21           HB2      ARG  21   5.599  -3.003   5.134
  147   2HB   ARG  21           HB1      ARG  21   6.674  -2.545   6.455
  148   1HG   ARG  21           HG2      ARG  21   7.293  -4.881   6.811
  149   2HG   ARG  21           HG1      ARG  21   6.147  -5.401   5.576
  150   1HD   ARG  21           HD2      ARG  21   7.554  -4.860   3.881
  151   2HD   ARG  21           HD1      ARG  21   8.018  -3.335   4.639
  152    HE   ARG  21           HE       ARG  21   9.578  -5.713   4.700
  153   1HH1  ARG  21          HH11      ARG  21   8.927  -2.772   6.273
  154   2HH1  ARG  21          HH12      ARG  21   9.976  -3.079   7.617
  155   1HH2  ARG  21          HH21      ARG  21  10.693  -6.332   6.655
  156   2HH2  ARG  21          HH22      ARG  21  10.975  -5.094   7.834
  157    HA   PRO  22           HA       PRO  22   0.815  -2.787   6.442
  158   1HB   PRO  22           HB2      PRO  22  -0.028  -1.475   8.741
  159   2HB   PRO  22           HB1      PRO  22  -0.093  -3.240   8.494
  160   1HG   PRO  22           HG2      PRO  22   1.901  -1.598  10.032
  161   2HG   PRO  22           HG1      PRO  22   1.269  -3.214  10.394
  162   1HD   PRO  22           HD2      PRO  22   3.755  -2.815   9.301
  163   2HD   PRO  22           HD1      PRO  22   2.787  -4.271   8.975
  164    H    LEU  23           HN       LEU  23   0.197  -1.071   5.190
  165    HA   LEU  23           HA       LEU  23   1.328   1.586   5.979
  166   1HB   LEU  23           HB2      LEU  23   0.588   0.558   3.222
  167   2HB   LEU  23           HB1      LEU  23   1.237   2.164   3.583
  168    HG   LEU  23           HG       LEU  23   2.922   0.294   4.879
  169   1HD1  LEU  23          HD12      LEU  23   1.732  -0.821   2.518
  170   2HD1  LEU  23          HD11      LEU  23   3.446  -0.528   2.221
  171   3HD1  LEU  23          HD13      LEU  23   2.947  -1.530   3.583
  172   1HD2  LEU  23          HD23      LEU  23   3.546   2.497   3.974
  173   2HD2  LEU  23          HD22      LEU  23   4.603   1.226   3.360
  174   3HD2  LEU  23          HD21      LEU  23   3.325   1.883   2.336
  175    H    CYS  24           HN       CYS  24  -0.178   3.055   6.564
  176    HA   CYS  24           HA       CYS  24  -3.008   2.342   6.439
  177   1HB   CYS  24           HB2      CYS  24  -2.259   3.614   8.374
  178   2HB   CYS  24           HB1      CYS  24  -1.570   4.841   7.340
  179    H    GLY  25           HN       GLY  25  -4.452   3.029   4.890
  180   1HA   GLY  25           HA2      GLY  25  -3.377   4.325   2.563
  181   2HA   GLY  25           HA1      GLY  25  -5.012   3.924   2.779
  182    H    SER  26           HN       SER  26  -5.645   6.050   1.944
  183    HA   SER  26           HA       SER  26  -4.933   8.334   3.680
  184   1HB   SER  26           HB2      SER  26  -6.558   9.440   1.846
  185   2HB   SER  26           HB1      SER  26  -4.849   9.175   1.551
  186    HG   SER  26           HG       SER  26  -7.098   7.854   0.571
  187    H    ASP  27           HN       ASP  27  -8.016   7.249   2.221
  188    HA   ASP  27           HA       ASP  27  -9.816   8.588   3.802
  189   1HB   ASP  27           HB2      ASP  27 -11.295   6.534   3.654
  190   2HB   ASP  27           HB1      ASP  27 -10.632   7.077   2.112
  191    H    ASN  28           HN       ASN  28  -7.997   5.712   4.709
  192    HA   ASN  28           HA       ASN  28  -7.218   5.813   7.159
  193   1HB   ASN  28           HB2      ASN  28  -9.014   5.555   8.802
  194   2HB   ASN  28           HB1      ASN  28  -9.172   7.087   7.962
  195   1HD2  ASN  28          HD22      ASN  28 -12.583   5.862   7.769
  196   2HD2  ASN  28          HD21      ASN  28 -11.544   6.733   8.789
  197    H    LYS  29           HN       LYS  29  -7.529   3.927   4.941
  198    HA   LYS  29           HA       LYS  29  -8.554   1.534   6.402
  199   1HB   LYS  29           HB2      LYS  29  -8.475   0.467   4.101
  200   2HB   LYS  29           HB1      LYS  29  -9.644   1.774   4.287
  201   1HG   LYS  29           HG2      LYS  29  -8.396   3.260   3.025
  202   2HG   LYS  29           HG1      LYS  29  -6.879   2.452   3.418
  203   1HD   LYS  29           HD2      LYS  29  -7.612   0.510   2.008
  204   2HD   LYS  29           HD1      LYS  29  -9.019   1.453   1.520
  205   1HE   LYS  29           HE2      LYS  29  -7.379   1.769  -0.196
  206   2HE   LYS  29           HE1      LYS  29  -7.394   3.256   0.752
  207   1HZ   LYS  29           HZ1      LYS  29  -5.602   1.536   1.981
  208   2HZ   LYS  29           HZ3      LYS  29  -5.265   1.457   0.321
  209   3HZ   LYS  29           HZ2      LYS  29  -5.248   2.956   1.120
  210    H    THR  30           HN       THR  30  -6.910   0.670   7.468
  211    HA   THR  30           HA       THR  30  -4.141   0.846   6.726
  212    HB   THR  30           HB       THR  30  -5.567  -1.072   8.595
  213    HG1  THR  30           HG1      THR  30  -5.650   0.919   9.442
  214   1HG2  THR  30          HG23      THR  30  -2.593  -0.553   8.229
  215   2HG2  THR  30          HG22      THR  30  -3.303  -1.551   9.497
  216   3HG2  THR  30          HG21      THR  30  -3.437  -2.045   7.810
  217    H    TYR  31           HN       TYR  31  -2.797  -0.828   5.880
  218    HA   TYR  31           HA       TYR  31  -4.258  -3.062   4.577
  219   1HB   TYR  31           HB2      TYR  31  -2.644  -0.934   3.284
  220   2HB   TYR  31           HB1      TYR  31  -2.210  -2.568   2.828
  221    HD1  TYR  31           HD2      TYR  31  -4.366  -4.170   2.471
  222    HD2  TYR  31           HD1      TYR  31  -4.338   0.099   2.073
  223    HE1  TYR  31           HE2      TYR  31  -6.388  -4.300   1.053
  224    HE2  TYR  31           HE1      TYR  31  -6.372  -0.026   0.657
  225    HH   TYR  31           HH       TYR  31  -7.871  -3.167  -0.135
  226    H    GLY  32           HN       GLY  32  -3.087  -5.048   4.646
  227   1HA   GLY  32           HA2      GLY  32  -1.464  -5.483   6.831
  228   2HA   GLY  32           HA1      GLY  32  -1.409  -6.517   5.419
  229    H    ASN  33           HN       ASN  33  -0.402  -4.403   3.621
  230    HA   ASN  33           HA       ASN  33   1.986  -3.299   4.738
  231   1HB   ASN  33           HB2      ASN  33   3.657  -4.821   3.787
  232   2HB   ASN  33           HB1      ASN  33   2.596  -5.704   4.877
  233   1HD2  ASN  33          HD22      ASN  33   2.334  -7.992   2.139
  234   2HD2  ASN  33          HD21      ASN  33   3.087  -7.717   3.638
  235    H    LYS  34           HN       LYS  34   3.626  -3.620   2.382
  236    HA   LYS  34           HA       LYS  34   2.578  -1.461   0.853
  237   1HB   LYS  34           HB2      LYS  34   4.414  -2.251  -0.826
  238   2HB   LYS  34           HB1      LYS  34   4.914  -1.672   0.761
  239   1HG   LYS  34           HG2      LYS  34   5.317  -3.851   1.572
  240   2HG   LYS  34           HG1      LYS  34   4.360  -4.607   0.297
  241   1HD   LYS  34           HD2      LYS  34   7.014  -3.174  -0.066
  242   2HD   LYS  34           HD1      LYS  34   6.756  -4.918  -0.146
  243   1HE   LYS  34           HE2      LYS  34   6.196  -4.753  -2.317
  244   2HE   LYS  34           HE1      LYS  34   4.893  -3.641  -1.906
  245   1HZ   LYS  34           HZ2      LYS  34   6.899  -1.982  -1.697
  246   2HZ   LYS  34           HZ1      LYS  34   7.617  -3.065  -2.792
  247   3HZ   LYS  34           HZ3      LYS  34   6.161  -2.292  -3.196
  248    H    CYS  35           HN       CYS  35   2.577  -4.984   0.149
  249    HA   CYS  35           HA       CYS  35   1.390  -4.671  -2.437
  250   1HB   CYS  35           HB2      CYS  35   2.485  -6.778  -1.653
  251   2HB   CYS  35           HB1      CYS  35   1.149  -7.019  -0.529
  252    H    ASN  36           HN       ASN  36  -0.057  -5.664   0.664
  253    HA   ASN  36           HA       ASN  36  -2.750  -5.656  -0.075
  254   1HB   ASN  36           HB2      ASN  36  -2.009  -4.422   2.561
  255   2HB   ASN  36           HB1      ASN  36  -3.266  -5.601   2.193
  256   1HD2  ASN  36          HD22      ASN  36  -0.519  -8.165   1.829
  257   2HD2  ASN  36          HD21      ASN  36  -1.568  -7.431   0.729
  258    H    PHE  37           HN       PHE  37  -0.691  -2.888   0.714
  259    HA   PHE  37           HA       PHE  37  -2.799  -0.921   0.694
  260   1HB   PHE  37           HB2      PHE  37  -0.631  -0.498   1.726
  261   2HB   PHE  37           HB1      PHE  37   0.181  -0.576   0.303
  262    HD1  PHE  37           HD1      PHE  37  -2.938   1.157   1.359
  263    HD2  PHE  37           HD2      PHE  37   0.877   1.349  -0.533
  264    HE1  PHE  37           HE1      PHE  37  -3.347   3.571   0.818
  265    HE2  PHE  37           HE2      PHE  37   0.510   3.751  -1.077
  266    HZ   PHE  37           HZ       PHE  37  -1.607   4.857  -0.398
  267    H    CYS  38           HN       CYS  38  -0.353  -1.763  -1.619
  268    HA   CYS  38           HA       CYS  38  -1.051  -0.054  -3.733
  269   1HB   CYS  38           HB2      CYS  38   0.210  -2.801  -3.727
  270   2HB   CYS  38           HB1      CYS  38  -0.011  -1.868  -5.207
  271    H    ASN  39           HN       ASN  39  -1.961  -3.534  -3.521
  272    HA   ASN  39           HA       ASN  39  -3.662  -3.797  -5.625
  273   1HB   ASN  39           HB2      ASN  39  -3.544  -4.912  -2.911
  274   2HB   ASN  39           HB1      ASN  39  -5.142  -4.986  -3.631
  275   1HD2  ASN  39          HD22      ASN  39  -2.496  -7.662  -4.790
  276   2HD2  ASN  39          HD21      ASN  39  -2.427  -6.800  -3.337
  277    H    ALA  40           HN       ALA  40  -4.249  -1.832  -2.771
  278    HA   ALA  40           HA       ALA  40  -7.047  -1.317  -3.404
  279   1HB   ALA  40           HB2      ALA  40  -5.388  -0.854  -1.212
  280   2HB   ALA  40           HB1      ALA  40  -5.665   0.760  -1.864
  281   3HB   ALA  40           HB3      ALA  40  -7.034  -0.249  -1.396
  282    H    VAL  41           HN       VAL  41  -4.015   0.546  -3.676
  283    HA   VAL  41           HA       VAL  41  -4.954   2.800  -5.069
  284    HB   VAL  41           HB       VAL  41  -2.344   1.309  -5.484
  285   1HG1  VAL  41          HG13      VAL  41  -2.981   3.049  -7.223
  286   2HG1  VAL  41          HG12      VAL  41  -2.920   4.247  -5.930
  287   3HG1  VAL  41          HG11      VAL  41  -1.466   3.352  -6.374
  288   1HG2  VAL  41          HG21      VAL  41  -3.102   3.545  -3.581
  289   2HG2  VAL  41          HG23      VAL  41  -2.716   1.883  -3.133
  290   3HG2  VAL  41          HG22      VAL  41  -1.468   2.926  -3.815
  291    H    VAL  42           HN       VAL  42  -3.616  -0.182  -6.500
  292    HA   VAL  42           HA       VAL  42  -4.149   0.468  -9.204
  293    HB   VAL  42           HB       VAL  42  -3.696  -1.867  -9.646
  294   1HG1  VAL  42          HG12      VAL  42  -1.986  -0.232  -8.334
  295   2HG1  VAL  42          HG11      VAL  42  -2.072  -1.567  -7.186
  296   3HG1  VAL  42          HG13      VAL  42  -1.554  -1.863  -8.845
  297   1HG2  VAL  42          HG21      VAL  42  -4.843  -2.172  -6.957
  298   2HG2  VAL  42          HG23      VAL  42  -4.841  -3.301  -8.310
  299   3HG2  VAL  42          HG22      VAL  42  -3.427  -3.169  -7.268
  300    H    GLU  43           HN       GLU  43  -6.277  -0.831  -6.722
  301    HA   GLU  43           HA       GLU  43  -8.292  -1.595  -8.730
  302   1HB   GLU  43           HB2      GLU  43  -7.690  -2.664  -6.322
  303   2HB   GLU  43           HB1      GLU  43  -8.983  -1.570  -5.842
  304   1HG   GLU  43           HG2      GLU  43 -10.545  -2.601  -7.266
  305   2HG   GLU  43           HG1      GLU  43  -9.288  -3.382  -8.225
  306    H    SER  44           HN       SER  44  -7.353   1.217  -7.168
  307    HA   SER  44           HA       SER  44 -10.129   2.297  -7.306
  308   1HB   SER  44           HB2      SER  44  -9.681   3.650  -5.503
  309   2HB   SER  44           HB1      SER  44  -8.519   2.374  -5.150
  310    HG   SER  44           HG       SER  44  -6.932   3.674  -5.679
  311    H    ASN  45           HN       ASN  45  -7.869   1.983  -9.393
  312    HA   ASN  45           HA       ASN  45  -7.333   3.189 -11.318
  313   1HB   ASN  45           HB2      ASN  45  -8.824   4.761 -11.954
  314   2HB   ASN  45           HB1      ASN  45  -9.626   4.478 -10.415
  315   1HD2  ASN  45          HD22      ASN  45  -8.476   8.137 -10.989
  316   2HD2  ASN  45          HD21      ASN  45  -9.098   7.036 -12.121
  317    H    GLY  46           HN       GLY  46  -6.360   3.737  -8.259
  318   1HA   GLY  46           HA2      GLY  46  -4.226   4.396  -7.548
  319   2HA   GLY  46           HA1      GLY  46  -3.903   5.079  -9.127
  320    H    THR  47           HN       THR  47  -6.876   5.993  -7.637
  321    HA   THR  47           HA       THR  47  -5.860   8.752  -7.303
  322    HB   THR  47           HB       THR  47  -8.328   9.110  -6.582
  323    HG1  THR  47           HG1      THR  47  -9.507   7.276  -7.768
  324   1HG2  THR  47          HG21      THR  47  -7.187   8.463  -9.238
  325   2HG2  THR  47          HG23      THR  47  -8.944   8.580  -9.140
  326   3HG2  THR  47          HG22      THR  47  -7.940   9.952  -8.667
  327    H    LEU  48           HN       LEU  48  -6.184   5.954  -5.486
  328    HA   LEU  48           HA       LEU  48  -6.777   7.137  -2.912
  329   1HB   LEU  48           HB2      LEU  48  -7.391   4.892  -3.014
  330   2HB   LEU  48           HB1      LEU  48  -5.998   4.452  -3.994
  331    HG   LEU  48           HG       LEU  48  -4.652   5.089  -1.797
  332   1HD1  LEU  48          HD12      LEU  48  -7.426   4.417  -0.805
  333   2HD1  LEU  48          HD11      LEU  48  -5.982   4.459   0.207
  334   3HD1  LEU  48          HD13      LEU  48  -6.563   5.935  -0.562
  335   1HD2  LEU  48          HD21      LEU  48  -4.731   2.869  -2.874
  336   2HD2  LEU  48          HD23      LEU  48  -4.793   2.737  -1.116
  337   3HD2  LEU  48          HD22      LEU  48  -6.266   2.542  -2.068
  338    H    THR  49           HN       THR  49  -5.289   7.496  -1.246
  339    HA   THR  49           HA       THR  49  -2.401   7.255  -1.882
  340    HB   THR  49           HB       THR  49  -1.924   9.473  -1.439
  341    HG1  THR  49           HG1      THR  49  -2.839  10.509   0.151
  342   1HG2  THR  49          HG22      THR  49  -3.841   9.082  -3.274
  343   2HG2  THR  49          HG21      THR  49  -4.707  10.162  -2.180
  344   3HG2  THR  49          HG23      THR  49  -3.186  10.678  -2.905
  345    H    LEU  50           HN       LEU  50  -1.147   7.516   0.211
  346    HA   LEU  50           HA       LEU  50  -2.742   6.368   2.431
  347   1HB   LEU  50           HB2      LEU  50  -1.212   4.739   2.347
  348   2HB   LEU  50           HB1      LEU  50  -0.264   5.632   1.172
  349    HG   LEU  50           HG       LEU  50  -0.110   6.194   4.141
  350   1HD1  LEU  50          HD13      LEU  50   0.484   3.812   3.025
  351   2HD1  LEU  50          HD12      LEU  50   2.004   4.671   2.775
  352   3HD1  LEU  50          HD11      LEU  50   1.349   4.490   4.404
  353   1HD2  LEU  50          HD22      LEU  50   1.064   7.296   1.715
  354   2HD2  LEU  50          HD21      LEU  50   1.170   7.899   3.369
  355   3HD2  LEU  50          HD23      LEU  50   2.310   6.678   2.800
  356    H    SER  51           HN       SER  51  -1.724   6.940   4.695
  357    HA   SER  51           HA       SER  51  -1.167   9.876   4.641
  358   1HB   SER  51           HB2      SER  51  -3.125   8.517   6.108
  359   2HB   SER  51           HB1      SER  51  -1.809   8.650   7.210
  360    HG   SER  51           HG       SER  51  -3.502  10.536   6.408
  361    H    HIS  52           HN       HIS  52  -0.226   6.757   5.932
  362    HA   HIS  52           HA       HIS  52   2.532   7.601   6.273
  363   1HB   HIS  52           HB2      HIS  52   2.603   7.319   8.712
  364   2HB   HIS  52           HB1      HIS  52   1.456   8.592   8.290
  365    HD1  HIS  52           HD1      HIS  52   1.534   6.207  10.702
  366    HD2  HIS  52           HD2      HIS  52  -1.179   6.721   7.562
  367    HE1  HIS  52           HE1      HIS  52  -0.575   4.971  11.351
  368    H    PHE  53           HN       PHE  53   3.824   5.775   7.159
  369    HA   PHE  53           HA       PHE  53   2.944   3.237   6.070
  370   1HB   PHE  53           HB2      PHE  53   5.364   4.113   7.658
  371   2HB   PHE  53           HB1      PHE  53   5.104   2.425   7.223
  372    HD1  PHE  53           HD2      PHE  53   4.750   5.755   5.519
  373    HD2  PHE  53           HD1      PHE  53   6.241   1.733   5.328
  374    HE1  PHE  53           HE2      PHE  53   5.650   6.200   3.256
  375    HE2  PHE  53           HE1      PHE  53   7.143   2.176   3.061
  376    HZ   PHE  53           HZ       PHE  53   6.850   4.410   2.024
  377    H    GLY  54           HN       GLY  54   3.753   1.348   7.922
  378   1HA   GLY  54           HA2      GLY  54   2.945   0.124   9.735
  379   2HA   GLY  54           HA1      GLY  54   2.840   1.645  10.570
  380    H    LYS  55           HN       LYS  55   0.878   0.537  11.491
  381    HA   LYS  55           HA       LYS  55  -1.460   0.400   9.783
  382   1HB   LYS  55           HB2      LYS  55  -1.537  -1.259  11.374
  383   2HB   LYS  55           HB1      LYS  55  -0.638  -0.342  12.533
  384   1HG   LYS  55           HG2      LYS  55  -2.590  -0.266  13.581
  385   2HG   LYS  55           HG1      LYS  55  -2.835   1.127  12.565
  386   1HD   LYS  55           HD2      LYS  55  -3.951  -0.347  10.879
  387   2HD   LYS  55           HD1      LYS  55  -3.789  -1.690  12.007
  388   1HE   LYS  55           HE2      LYS  55  -4.963   0.633  13.301
  389   2HE   LYS  55           HE1      LYS  55  -5.908   0.136  11.897
  390   1HZ   LYS  55           HZ1      LYS  55  -4.967  -1.788  13.939
  391   2HZ   LYS  55           HZ3      LYS  55  -6.456  -0.986  14.068
  392   3HZ   LYS  55           HZ2      LYS  55  -6.159  -2.018  12.751
  393    H    CYS  56           HN       CYS  56  -3.393   1.637  10.527
  394    HA   CYS  56           HA       CYS  56  -2.627   4.450  11.018
  395   1HB   CYS  56           HB2      CYS  56  -4.628   3.185   9.478
  396   2HB   CYS  56           HB1      CYS  56  -5.473   4.046  10.763
   
  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           HT1      LEU   1  15.793  12.429   6.405
    2   2H    LEU   1           HT3      LEU   1  16.816  13.684   5.899
    3   3H    LEU   1           HT2      LEU   1  15.677  13.963   7.128
    4    HA   LEU   1           HA       LEU   1  14.783  14.937   5.192
    5   1HB   LEU   1           HB2      LEU   1  16.325  13.045   3.879
    6   2HB   LEU   1           HB1      LEU   1  14.677  12.499   3.565
    7    HG   LEU   1           HG       LEU   1  14.460  15.220   3.197
    8   1HD1  LEU   1          HD13      LEU   1  17.251  14.329   2.607
    9   2HD1  LEU   1          HD12      LEU   1  16.481  15.424   1.459
   10   3HD1  LEU   1          HD11      LEU   1  16.665  15.903   3.146
   11   1HD2  LEU   1          HD23      LEU   1  14.199  12.850   1.713
   12   2HD2  LEU   1          HD22      LEU   1  13.655  14.457   1.230
   13   3HD2  LEU   1          HD21      LEU   1  15.247  13.880   0.739
   14    H    ALA   2           HN       ALA   2  12.923  13.220   3.676
   15    HA   ALA   2           HA       ALA   2  11.434  11.489   5.378
   16   1HB   ALA   2           HB2      ALA   2  11.035  14.355   5.824
   17   2HB   ALA   2           HB1      ALA   2   9.537  13.518   5.416
   18   3HB   ALA   2           HB3      ALA   2  10.497  12.985   6.795
   19    H    ALA   3           HN       ALA   3  10.322  10.311   3.905
   20    HA   ALA   3           HA       ALA   3   9.138  11.743   1.563
   21   1HB   ALA   3           HB1      ALA   3  10.790   9.222   1.627
   22   2HB   ALA   3           HB3      ALA   3   9.638   9.513   0.324
   23   3HB   ALA   3           HB2      ALA   3  10.975  10.633   0.585
   24    H    VAL   4           HN       VAL   4   7.111  10.938   0.882
   25    HA   VAL   4           HA       VAL   4   5.983   8.652   2.416
   26    HB   VAL   4           HB       VAL   4   4.400  11.191   2.013
   27   1HG1  VAL   4          HG13      VAL   4   3.733   8.621   2.838
   28   2HG1  VAL   4          HG12      VAL   4   3.907   9.506   4.353
   29   3HG1  VAL   4          HG11      VAL   4   2.777  10.075   3.123
   30   1HG2  VAL   4          HG23      VAL   4   6.522  10.581   3.995
   31   2HG2  VAL   4          HG22      VAL   4   5.912  12.142   3.445
   32   3HG2  VAL   4          HG21      VAL   4   5.022  11.226   4.663
   33    H    SER   5           HN       SER   5   6.416   7.728   0.196
   34    HA   SER   5           HA       SER   5   3.965   7.761  -1.365
   35   1HB   SER   5           HB2      SER   5   4.949   8.583  -3.458
   36   2HB   SER   5           HB1      SER   5   5.069   9.819  -2.209
   37    HG   SER   5           HG       SER   5   7.015   9.029  -3.612
   38    H    VAL   6           HN       VAL   6   3.854   5.546  -1.449
   39    HA   VAL   6           HA       VAL   6   6.301   3.974  -1.971
   40    HB   VAL   6           HB       VAL   6   3.532   2.816  -1.741
   41   1HG1  VAL   6          HG12      VAL   6   6.300   1.895  -1.673
   42   2HG1  VAL   6          HG11      VAL   6   5.391   1.358  -0.260
   43   3HG1  VAL   6          HG13      VAL   6   4.817   0.965  -1.881
   44   1HG2  VAL   6          HG23      VAL   6   5.155   4.181   0.371
   45   2HG2  VAL   6          HG22      VAL   6   3.403   4.079   0.195
   46   3HG2  VAL   6          HG21      VAL   6   4.310   2.697   0.809
   47    H    ASP   7           HN       ASP   7   6.664   2.829  -3.881
   48    HA   ASP   7           HA       ASP   7   5.160   3.718  -6.234
   49   1HB   ASP   7           HB2      ASP   7   7.531   3.468  -6.527
   50   2HB   ASP   7           HB1      ASP   7   7.504   1.837  -5.855
   51    H    CYS   8           HN       CYS   8   3.523   2.580  -7.210
   52    HA   CYS   8           HA       CYS   8   3.207  -0.295  -6.518
   53   1HB   CYS   8           HB2      CYS   8   0.956   1.729  -6.462
   54   2HB   CYS   8           HB1      CYS   8   0.848   0.019  -6.053
   55    H    SER   9           HN       SER   9   4.252   0.504  -8.924
   56    HA   SER   9           HA       SER   9   2.035   0.688 -10.874
   57   1HB   SER   9           HB2      SER   9   3.902   2.064 -11.430
   58   2HB   SER   9           HB1      SER   9   5.049   0.766 -11.114
   59    HG   SER   9           HG       SER   9   3.291   1.141 -13.277
   60    H    GLU  10           HN       GLU  10   3.785  -1.728  -9.288
   61    HA   GLU  10           HA       GLU  10   3.478  -3.664 -11.524
   62   1HB   GLU  10           HB2      GLU  10   4.648  -4.355  -8.848
   63   2HB   GLU  10           HB1      GLU  10   5.058  -4.996 -10.441
   64   1HG   GLU  10           HG2      GLU  10   5.800  -2.317  -9.256
   65   2HG   GLU  10           HG1      GLU  10   6.876  -3.575  -9.863
   66    H    TYR  11           HN       TYR  11   1.234  -2.548  -9.764
   67    HA   TYR  11           HA       TYR  11   0.264  -5.141  -8.735
   68   1HB   TYR  11           HB2      TYR  11  -0.443  -2.341  -7.811
   69   2HB   TYR  11           HB1      TYR  11  -1.001  -3.843  -7.074
   70    HD1  TYR  11           HD2      TYR  11   2.023  -1.812  -7.822
   71    HD2  TYR  11           HD1      TYR  11   0.404  -5.087  -5.563
   72    HE1  TYR  11           HE2      TYR  11   4.113  -1.932  -6.494
   73    HE2  TYR  11           HE1      TYR  11   2.499  -5.206  -4.233
   74    HH   TYR  11           HH       TYR  11   5.266  -3.106  -4.984
   75    HA   PRO  12           HA       PRO  12  -1.947  -5.273  -7.706
   76   1HB   PRO  12           HB2      PRO  12  -3.569  -7.383  -8.422
   77   2HB   PRO  12           HB1      PRO  12  -4.183  -5.789  -7.948
   78   1HG   PRO  12           HG2      PRO  12  -3.950  -6.979 -10.686
   79   2HG   PRO  12           HG1      PRO  12  -5.133  -5.813 -10.066
   80   1HD   PRO  12           HD2      PRO  12  -2.915  -5.146 -11.637
   81   2HD   PRO  12           HD1      PRO  12  -3.835  -4.032 -10.677
   82    H    LYS  13           HN       LYS  13  -1.298  -7.445  -6.922
   83    HA   LYS  13           HA       LYS  13   0.528  -8.839  -8.842
   84   1HB   LYS  13           HB2      LYS  13   1.047  -7.575  -6.331
   85   2HB   LYS  13           HB1      LYS  13   1.264  -9.310  -6.124
   86   1HG   LYS  13           HG2      LYS  13   2.702  -9.289  -8.204
   87   2HG   LYS  13           HG1      LYS  13   2.611  -7.529  -8.169
   88   1HD   LYS  13           HD2      LYS  13   3.399  -8.902  -5.642
   89   2HD   LYS  13           HD1      LYS  13   4.587  -8.859  -6.945
   90   1HE   LYS  13           HE2      LYS  13   3.697  -6.286  -6.994
   91   2HE   LYS  13           HE1      LYS  13   3.534  -6.655  -5.278
   92   1HZ   LYS  13           HZ3      LYS  13   5.885  -7.615  -5.537
   93   2HZ   LYS  13           HZ2      LYS  13   5.955  -6.682  -6.955
   94   3HZ   LYS  13           HZ1      LYS  13   5.702  -5.931  -5.452
   95    HA   PRO  14           HA       PRO  14  -1.834 -12.438  -7.828
   96   1HB   PRO  14           HB2      PRO  14  -0.051 -14.318  -8.746
   97   2HB   PRO  14           HB1      PRO  14  -1.071 -13.331  -9.807
   98   1HG   PRO  14           HG2      PRO  14   1.848 -13.090  -9.250
   99   2HG   PRO  14           HG1      PRO  14   0.938 -12.609 -10.691
  100   1HD   PRO  14           HD2      PRO  14   1.863 -10.874  -8.687
  101   2HD   PRO  14           HD1      PRO  14   0.654 -10.478  -9.889
  102    H    ALA  15           HN       ALA  15   0.517 -11.350  -5.981
  103    HA   ALA  15           HA       ALA  15   0.169 -13.259  -3.876
  104   1HB   ALA  15           HB2      ALA  15   2.676 -13.461  -5.545
  105   2HB   ALA  15           HB1      ALA  15   2.686 -13.906  -3.839
  106   3HB   ALA  15           HB3      ALA  15   1.632 -14.759  -4.966
  107    H    CYS  16           HN       CYS  16   1.157 -12.472  -1.908
  108    HA   CYS  16           HA       CYS  16   2.400  -9.768  -2.222
  109   1HB   CYS  16           HB2      CYS  16   0.584 -10.757  -0.001
  110   2HB   CYS  16           HB1      CYS  16   1.360  -9.176  -0.053
  111    H    THR  17           HN       THR  17   4.270  -9.382  -1.091
  112    HA   THR  17           HA       THR  17   5.906 -11.506  -0.214
  113    HB   THR  17           HB       THR  17   7.190  -9.698   1.019
  114    HG1  THR  17           HG1      THR  17   5.296  -7.966  -0.154
  115   1HG2  THR  17          HG23      THR  17   6.401  -9.555  -1.866
  116   2HG2  THR  17          HG22      THR  17   7.431  -8.286  -1.200
  117   3HG2  THR  17          HG21      THR  17   7.960  -9.968  -1.152
  118    H    LEU  18           HN       LEU  18   6.802 -11.125   2.315
  119    HA   LEU  18           HA       LEU  18   4.341 -11.471   3.975
  120   1HB   LEU  18           HB2      LEU  18   6.030 -12.897   5.420
  121   2HB   LEU  18           HB1      LEU  18   5.266 -13.616   4.002
  122    HG   LEU  18           HG       LEU  18   7.873 -12.154   3.701
  123   1HD1  LEU  18          HD11      LEU  18   7.446 -14.955   4.763
  124   2HD1  LEU  18          HD13      LEU  18   8.948 -14.463   3.978
  125   3HD1  LEU  18          HD12      LEU  18   8.426 -13.666   5.463
  126   1HD2  LEU  18          HD23      LEU  18   6.184 -13.301   1.910
  127   2HD2  LEU  18          HD22      LEU  18   7.925 -13.192   1.659
  128   3HD2  LEU  18          HD21      LEU  18   7.216 -14.681   2.284
  129    H    GLU  19           HN       GLU  19   7.430  -9.910   3.626
  130    HA   GLU  19           HA       GLU  19   8.007  -9.132   6.250
  131   1HB   GLU  19           HB2      GLU  19   9.061  -7.133   5.294
  132   2HB   GLU  19           HB1      GLU  19   9.417  -8.535   4.286
  133   1HG   GLU  19           HG2      GLU  19   6.974  -7.420   3.337
  134   2HG   GLU  19           HG1      GLU  19   8.115  -6.093   3.545
  135    H    TYR  20           HN       TYR  20   6.677  -8.219   7.696
  136    HA   TYR  20           HA       TYR  20   4.185  -7.004   6.821
  137   1HB   TYR  20           HB2      TYR  20   4.391  -8.348   8.917
  138   2HB   TYR  20           HB1      TYR  20   5.303  -7.017   9.629
  139    HD1  TYR  20           HD2      TYR  20   2.362  -6.972   7.310
  140    HD2  TYR  20           HD1      TYR  20   3.866  -6.038  11.224
  141    HE1  TYR  20           HE2      TYR  20   0.233  -5.810   7.845
  142    HE2  TYR  20           HE1      TYR  20   1.741  -4.878  11.761
  143    HH   TYR  20           HH       TYR  20  -0.729  -5.070  10.887
  144    H    ARG  21           HN       ARG  21   3.824  -5.017   6.407
  145    HA   ARG  21           HA       ARG  21   5.128  -2.769   7.734
  146   1HB   ARG  21           HB2      ARG  21   5.784  -1.834   5.379
  147   2HB   ARG  21           HB1      ARG  21   6.870  -2.991   6.148
  148   1HG   ARG  21           HG2      ARG  21   6.045  -4.797   4.816
  149   2HG   ARG  21           HG1      ARG  21   4.678  -3.840   4.244
  150   1HD   ARG  21           HD2      ARG  21   7.603  -3.470   3.564
  151   2HD   ARG  21           HD1      ARG  21   6.279  -3.846   2.461
  152    HE   ARG  21           HE       ARG  21   5.459  -1.458   3.445
  153   1HH1  ARG  21          HH21      ARG  21   8.356  -2.647   2.017
  154   2HH1  ARG  21          HH22      ARG  21   8.956  -1.076   1.601
  155   1HH2  ARG  21          HH11      ARG  21   6.298   0.615   3.052
  156   2HH2  ARG  21          HH12      ARG  21   7.788   0.772   2.183
  157    HA   PRO  22           HA       PRO  22   0.762  -2.505   6.335
  158   1HB   PRO  22           HB2      PRO  22  -0.086  -1.278   8.667
  159   2HB   PRO  22           HB1      PRO  22  -0.049  -3.035   8.404
  160   1HG   PRO  22           HG2      PRO  22   1.852  -1.311   9.951
  161   2HG   PRO  22           HG1      PRO  22   1.380  -2.996  10.236
  162   1HD   PRO  22           HD2      PRO  22   3.785  -2.231   9.068
  163   2HD   PRO  22           HD1      PRO  22   3.026  -3.822   8.841
  164    H    LEU  23           HN       LEU  23   0.116  -0.844   5.074
  165    HA   LEU  23           HA       LEU  23   1.057   1.898   5.821
  166   1HB   LEU  23           HB2      LEU  23   0.258   1.053   3.035
  167   2HB   LEU  23           HB1      LEU  23   1.274   2.410   3.525
  168    HG   LEU  23           HG       LEU  23   2.319  -0.189   4.411
  169   1HD1  LEU  23          HD11      LEU  23   1.220  -0.729   2.182
  170   2HD1  LEU  23          HD13      LEU  23   2.364   0.396   1.451
  171   3HD1  LEU  23          HD12      LEU  23   2.953  -1.044   2.281
  172   1HD2  LEU  23          HD22      LEU  23   3.296   2.302   3.054
  173   2HD2  LEU  23          HD21      LEU  23   3.785   1.615   4.604
  174   3HD2  LEU  23          HD23      LEU  23   4.316   0.863   3.099
  175    H    CYS  24           HN       CYS  24  -0.585   3.419   6.076
  176    HA   CYS  24           HA       CYS  24  -3.340   2.360   5.810
  177   1HB   CYS  24           HB2      CYS  24  -2.575   3.562   7.914
  178   2HB   CYS  24           HB1      CYS  24  -2.547   5.041   6.967
  179    H    GLY  25           HN       GLY  25  -5.010   3.761   4.838
  180   1HA   GLY  25           HA2      GLY  25  -3.950   5.250   2.483
  181   2HA   GLY  25           HA1      GLY  25  -5.348   4.295   2.459
  182    H    SER  26           HN       SER  26  -5.504   6.863   1.586
  183    HA   SER  26           HA       SER  26  -6.303   8.704   3.673
  184   1HB   SER  26           HB2      SER  26  -5.600   9.455   1.406
  185   2HB   SER  26           HB1      SER  26  -7.044   8.710   0.727
  186    HG   SER  26           HG       SER  26  -8.259  10.094   2.143
  187    H    ASP  27           HN       ASP  27  -7.804   6.023   2.145
  188    HA   ASP  27           HA       ASP  27 -10.561   6.855   2.552
  189   1HB   ASP  27           HB2      ASP  27 -11.047   4.415   2.179
  190   2HB   ASP  27           HB1      ASP  27 -10.081   5.141   0.895
  191    H    ASN  28           HN       ASN  28  -8.088   5.969   4.643
  192    HA   ASN  28           HA       ASN  28  -8.180   5.808   7.000
  193   1HB   ASN  28           HB2      ASN  28 -10.517   6.914   6.665
  194   2HB   ASN  28           HB1      ASN  28 -11.139   5.276   6.869
  195   1HD2  ASN  28          HD22      ASN  28 -11.121   6.407  10.310
  196   2HD2  ASN  28          HD21      ASN  28 -12.087   6.435   8.915
  197    H    LYS  29           HN       LYS  29  -7.875   3.605   5.052
  198    HA   LYS  29           HA       LYS  29  -8.761   1.370   6.812
  199   1HB   LYS  29           HB2      LYS  29 -10.013   1.196   4.781
  200   2HB   LYS  29           HB1      LYS  29  -8.592   1.524   3.793
  201   1HG   LYS  29           HG2      LYS  29  -8.107  -0.653   3.734
  202   2HG   LYS  29           HG1      LYS  29  -7.990  -0.684   5.491
  203   1HD   LYS  29           HD2      LYS  29  -9.676  -2.296   4.801
  204   2HD   LYS  29           HD1      LYS  29 -10.478  -0.945   5.604
  205   1HE   LYS  29           HE2      LYS  29 -10.121  -0.620   2.688
  206   2HE   LYS  29           HE1      LYS  29 -11.218  -1.916   3.163
  207   1HZ   LYS  29           HZ2      LYS  29 -11.700   0.347   4.762
  208   2HZ   LYS  29           HZ1      LYS  29 -11.726   0.816   3.130
  209   3HZ   LYS  29           HZ3      LYS  29 -12.750  -0.423   3.671
  210    H    THR  30           HN       THR  30  -7.153  -0.111   7.351
  211    HA   THR  30           HA       THR  30  -4.390   0.685   6.730
  212    HB   THR  30           HB       THR  30  -5.555  -1.510   8.464
  213    HG1  THR  30           HG1      THR  30  -5.699   0.216   9.660
  214   1HG2  THR  30          HG23      THR  30  -2.669  -0.756   7.920
  215   2HG2  THR  30          HG22      THR  30  -3.181  -1.757   9.279
  216   3HG2  THR  30          HG21      THR  30  -3.435  -2.317   7.626
  217    H    TYR  31           HN       TYR  31  -2.827  -0.908   5.919
  218    HA   TYR  31           HA       TYR  31  -4.042  -3.063   4.271
  219   1HB   TYR  31           HB2      TYR  31  -2.080  -0.933   3.355
  220   2HB   TYR  31           HB1      TYR  31  -2.192  -2.492   2.587
  221    HD1  TYR  31           HD1      TYR  31  -4.099   0.554   3.452
  222    HD2  TYR  31           HD2      TYR  31  -4.043  -3.081   1.167
  223    HE1  TYR  31           HE1      TYR  31  -6.091   1.318   2.188
  224    HE2  TYR  31           HE2      TYR  31  -6.032  -2.318  -0.101
  225    HH   TYR  31           HH       TYR  31  -8.066  -0.475   0.611
  226    H    GLY  32           HN       GLY  32  -3.102  -4.972   4.756
  227   1HA   GLY  32           HA2      GLY  32  -1.351  -5.487   6.753
  228   2HA   GLY  32           HA1      GLY  32  -1.379  -6.499   5.322
  229    H    ASN  33           HN       ASN  33  -0.219  -4.997   3.370
  230    HA   ASN  33           HA       ASN  33   2.183  -3.713   4.443
  231   1HB   ASN  33           HB2      ASN  33   3.752  -5.273   3.293
  232   2HB   ASN  33           HB1      ASN  33   2.864  -6.034   4.604
  233   1HD2  ASN  33          HD22      ASN  33   2.635  -8.392   1.779
  234   2HD2  ASN  33          HD21      ASN  33   3.837  -7.815   2.826
  235    H    LYS  34           HN       LYS  34   3.772  -3.813   2.155
  236    HA   LYS  34           HA       LYS  34   2.595  -1.774   0.591
  237   1HB   LYS  34           HB2      LYS  34   4.519  -2.083  -0.912
  238   2HB   LYS  34           HB1      LYS  34   5.016  -2.077   0.782
  239   1HG   LYS  34           HG2      LYS  34   5.999  -4.047   0.379
  240   2HG   LYS  34           HG1      LYS  34   4.385  -4.743   0.283
  241   1HD   LYS  34           HD2      LYS  34   5.234  -5.374  -1.787
  242   2HD   LYS  34           HD1      LYS  34   4.490  -3.829  -2.201
  243   1HE   LYS  34           HE2      LYS  34   7.415  -4.284  -1.539
  244   2HE   LYS  34           HE1      LYS  34   6.751  -3.931  -3.134
  245   1HZ   LYS  34           HZ1      LYS  34   5.902  -1.823  -2.219
  246   2HZ   LYS  34           HZ3      LYS  34   6.691  -2.157  -0.755
  247   3HZ   LYS  34           HZ2      LYS  34   7.597  -1.926  -2.174
  248    H    CYS  35           HN       CYS  35   2.431  -5.252   0.210
  249    HA   CYS  35           HA       CYS  35   1.707  -5.202  -2.578
  250   1HB   CYS  35           HB2      CYS  35   2.494  -7.266  -1.505
  251   2HB   CYS  35           HB1      CYS  35   1.091  -7.257  -0.441
  252    H    ASN  36           HN       ASN  36  -0.208  -5.605   0.382
  253    HA   ASN  36           HA       ASN  36  -2.752  -5.494  -0.919
  254   1HB   ASN  36           HB2      ASN  36  -1.877  -4.945   1.925
  255   2HB   ASN  36           HB1      ASN  36  -3.567  -4.875   1.426
  256   1HD2  ASN  36          HD22      ASN  36  -1.675  -8.529   1.505
  257   2HD2  ASN  36          HD21      ASN  36  -0.740  -7.117   1.428
  258    H    PHE  37           HN       PHE  37  -0.686  -2.938   0.452
  259    HA   PHE  37           HA       PHE  37  -2.648  -0.835   0.151
  260   1HB   PHE  37           HB2      PHE  37  -0.559  -0.703   1.561
  261   2HB   PHE  37           HB1      PHE  37   0.358  -0.466   0.199
  262    HD1  PHE  37           HD1      PHE  37  -2.687   1.002   1.748
  263    HD2  PHE  37           HD2      PHE  37   0.759   1.486  -0.711
  264    HE1  PHE  37           HE1      PHE  37  -3.204   3.436   1.520
  265    HE2  PHE  37           HE2      PHE  37   0.280   3.919  -0.936
  266    HZ   PHE  37           HZ       PHE  37  -1.713   4.886   0.181
  267    H    CYS  38           HN       CYS  38   0.105  -1.850  -1.711
  268    HA   CYS  38           HA       CYS  38  -0.168   0.073  -3.807
  269   1HB   CYS  38           HB2      CYS  38   1.228  -2.584  -3.609
  270   2HB   CYS  38           HB1      CYS  38   1.137  -1.733  -5.145
  271    H    ASN  39           HN       ASN  39  -1.720  -3.026  -3.249
  272    HA   ASN  39           HA       ASN  39  -2.762  -3.279  -5.933
  273   1HB   ASN  39           HB2      ASN  39  -3.514  -4.481  -3.253
  274   2HB   ASN  39           HB1      ASN  39  -4.364  -4.870  -4.741
  275   1HD2  ASN  39          HD21      ASN  39  -2.729  -6.738  -3.133
  276   2HD2  ASN  39          HD22      ASN  39  -1.471  -7.259  -4.145
  277    H    ALA  40           HN       ALA  40  -3.895  -1.922  -2.867
  278    HA   ALA  40           HA       ALA  40  -6.534  -1.229  -3.843
  279   1HB   ALA  40           HB1      ALA  40  -4.910  -0.753  -1.401
  280   2HB   ALA  40           HB3      ALA  40  -6.132   0.468  -1.754
  281   3HB   ALA  40           HB2      ALA  40  -6.605  -1.219  -1.550
  282    H    VAL  41           HN       VAL  41  -3.398   0.111  -4.196
  283    HA   VAL  41           HA       VAL  41  -4.338   2.846  -4.719
  284    HB   VAL  41           HB       VAL  41  -1.651   1.475  -5.029
  285   1HG1  VAL  41          HG11      VAL  41  -2.653   4.031  -6.079
  286   2HG1  VAL  41          HG13      VAL  41  -1.186   4.190  -5.114
  287   3HG1  VAL  41          HG12      VAL  41  -1.207   3.124  -6.519
  288   1HG2  VAL  41          HG21      VAL  41  -2.524   1.959  -2.720
  289   2HG2  VAL  41          HG23      VAL  41  -1.027   2.805  -3.105
  290   3HG2  VAL  41          HG22      VAL  41  -2.565   3.669  -3.146
  291    H    VAL  42           HN       VAL  42  -2.874   0.197  -6.634
  292    HA   VAL  42           HA       VAL  42  -3.247   1.517  -9.140
  293    HB   VAL  42           HB       VAL  42  -1.580  -0.240  -8.861
  294   1HG1  VAL  42          HG12      VAL  42  -3.895  -1.715  -7.785
  295   2HG1  VAL  42          HG11      VAL  42  -2.843  -2.656  -8.842
  296   3HG1  VAL  42          HG13      VAL  42  -2.182  -1.872  -7.408
  297   1HG2  VAL  42          HG22      VAL  42  -3.606  -0.214 -10.888
  298   2HG2  VAL  42          HG21      VAL  42  -1.898  -0.625 -11.040
  299   3HG2  VAL  42          HG23      VAL  42  -3.071  -1.873 -10.622
  300    H    GLU  43           HN       GLU  43  -5.405  -0.165  -7.052
  301    HA   GLU  43           HA       GLU  43  -7.321  -0.733  -9.227
  302   1HB   GLU  43           HB2      GLU  43  -8.726  -1.576  -7.334
  303   2HB   GLU  43           HB1      GLU  43  -7.232  -2.456  -7.482
  304   1HG   GLU  43           HG2      GLU  43  -7.001  -2.015  -5.312
  305   2HG   GLU  43           HG1      GLU  43  -6.620  -0.364  -5.795
  306    H    SER  44           HN       SER  44  -6.719   1.467  -6.570
  307    HA   SER  44           HA       SER  44  -9.346   2.758  -6.850
  308   1HB   SER  44           HB2      SER  44  -8.347   2.539  -4.618
  309   2HB   SER  44           HB1      SER  44  -6.941   3.459  -5.145
  310    HG   SER  44           HG       SER  44  -9.588   4.295  -4.703
  311    H    ASN  45           HN       ASN  45  -6.968   2.834  -8.924
  312    HA   ASN  45           HA       ASN  45  -6.246   4.383 -10.507
  313   1HB   ASN  45           HB2      ASN  45  -8.607   5.827  -9.305
  314   2HB   ASN  45           HB1      ASN  45  -7.585   6.584 -10.513
  315   1HD2  ASN  45          HD22      ASN  45  -9.121   3.097 -11.949
  316   2HD2  ASN  45          HD21      ASN  45  -8.178   3.098 -10.541
  317    H    GLY  46           HN       GLY  46  -5.534   4.467  -7.443
  318   1HA   GLY  46           HA2      GLY  46  -3.740   5.527  -6.345
  319   2HA   GLY  46           HA1      GLY  46  -3.554   6.596  -7.728
  320    H    THR  47           HN       THR  47  -6.703   6.291  -6.340
  321    HA   THR  47           HA       THR  47  -6.527   9.091  -5.378
  322    HB   THR  47           HB       THR  47  -8.899   9.126  -5.453
  323    HG1  THR  47           HG1      THR  47 -10.032   7.433  -4.964
  324   1HG2  THR  47          HG23      THR  47  -7.746   7.395  -7.639
  325   2HG2  THR  47          HG22      THR  47  -9.427   7.924  -7.666
  326   3HG2  THR  47          HG21      THR  47  -8.127   9.115  -7.695
  327    H    LEU  48           HN       LEU  48  -5.846   6.164  -4.137
  328    HA   LEU  48           HA       LEU  48  -7.240   6.326  -1.582
  329   1HB   LEU  48           HB2      LEU  48  -6.661   4.133  -1.579
  330   2HB   LEU  48           HB1      LEU  48  -5.742   4.383  -3.051
  331    HG   LEU  48           HG       LEU  48  -3.784   5.092  -1.643
  332   1HD1  LEU  48          HD13      LEU  48  -5.668   5.343   0.358
  333   2HD1  LEU  48          HD12      LEU  48  -4.865   3.828   0.769
  334   3HD1  LEU  48          HD11      LEU  48  -3.921   5.310   0.609
  335   1HD2  LEU  48          HD21      LEU  48  -4.299   2.698  -2.454
  336   2HD2  LEU  48          HD23      LEU  48  -3.096   2.894  -1.179
  337   3HD2  LEU  48          HD22      LEU  48  -4.733   2.373  -0.776
  338    H    THR  49           HN       THR  49  -3.915   6.672  -2.629
  339    HA   THR  49           HA       THR  49  -2.077   7.719  -1.748
  340    HB   THR  49           HB       THR  49  -2.530   9.903  -0.671
  341    HG1  THR  49           HG1      THR  49  -4.710  10.623  -0.797
  342   1HG2  THR  49          HG21      THR  49  -3.725   9.205  -3.339
  343   2HG2  THR  49          HG23      THR  49  -3.568  10.872  -2.785
  344   3HG2  THR  49          HG22      THR  49  -2.129   9.876  -3.005
  345    H    LEU  50           HN       LEU  50  -0.938   6.973  -0.190
  346    HA   LEU  50           HA       LEU  50  -1.894   5.898   2.267
  347   1HB   LEU  50           HB2      LEU  50   0.134   5.019   1.428
  348   2HB   LEU  50           HB1      LEU  50   0.793   6.615   1.099
  349    HG   LEU  50           HG       LEU  50   0.635   6.903   3.714
  350   1HD1  LEU  50          HD11      LEU  50   0.063   4.055   3.225
  351   2HD1  LEU  50          HD13      LEU  50   1.337   4.348   4.408
  352   3HD1  LEU  50          HD12      LEU  50  -0.267   5.038   4.651
  353   1HD2  LEU  50          HD21      LEU  50   2.654   6.613   2.072
  354   2HD2  LEU  50          HD23      LEU  50   2.910   6.374   3.801
  355   3HD2  LEU  50          HD22      LEU  50   2.725   4.981   2.735
  356    H    SER  51           HN       SER  51  -1.583   6.838   4.408
  357    HA   SER  51           HA       SER  51  -1.288   9.816   4.342
  358   1HB   SER  51           HB2      SER  51  -3.456   8.415   5.300
  359   2HB   SER  51           HB1      SER  51  -2.487   8.590   6.740
  360    HG   SER  51           HG       SER  51  -3.413  10.490   6.760
  361    H    HIS  52           HN       HIS  52  -0.035   6.851   5.452
  362    HA   HIS  52           HA       HIS  52   2.365   7.919   6.494
  363   1HB   HIS  52           HB2      HIS  52   2.030   7.620   8.901
  364   2HB   HIS  52           HB1      HIS  52   0.837   8.769   8.293
  365    HD1  HIS  52           HD1      HIS  52   0.538   6.667  10.792
  366    HD2  HIS  52           HD2      HIS  52  -1.182   6.362   7.002
  367    HE1  HIS  52           HE1      HIS  52  -1.438   5.099  11.012
  368    H    PHE  53           HN       PHE  53   3.630   6.148   7.561
  369    HA   PHE  53           HA       PHE  53   2.934   3.572   6.361
  370   1HB   PHE  53           HB2      PHE  53   5.267   4.508   8.046
  371   2HB   PHE  53           HB1      PHE  53   5.097   2.846   7.482
  372    HD1  PHE  53           HD2      PHE  53   5.108   6.376   6.267
  373    HD2  PHE  53           HD1      PHE  53   5.807   2.245   5.305
  374    HE1  PHE  53           HE2      PHE  53   6.002   7.042   4.057
  375    HE2  PHE  53           HE1      PHE  53   6.710   2.917   3.094
  376    HZ   PHE  53           HZ       PHE  53   6.809   5.315   2.469
  377    H    GLY  54           HN       GLY  54   3.357   1.592   7.987
  378   1HA   GLY  54           HA2      GLY  54   2.686   0.454   9.944
  379   2HA   GLY  54           HA1      GLY  54   2.405   2.007  10.697
  380    H    LYS  55           HN       LYS  55   0.400   0.809  11.475
  381    HA   LYS  55           HA       LYS  55  -1.714   0.656   9.411
  382   1HB   LYS  55           HB2      LYS  55  -2.271   0.176  12.321
  383   2HB   LYS  55           HB1      LYS  55  -3.012  -0.563  10.920
  384   1HG   LYS  55           HG2      LYS  55  -1.710  -2.282  11.826
  385   2HG   LYS  55           HG1      LYS  55  -0.764  -1.717  10.469
  386   1HD   LYS  55           HD2      LYS  55   0.319  -2.162  12.864
  387   2HD   LYS  55           HD1      LYS  55   0.882  -0.831  11.864
  388   1HE   LYS  55           HE2      LYS  55  -0.515   0.742  13.092
  389   2HE   LYS  55           HE1      LYS  55  -1.264  -0.576  13.992
  390   1HZ   LYS  55           HZ2      LYS  55   1.646  -0.378  14.081
  391   2HZ   LYS  55           HZ1      LYS  55   0.765   0.792  14.943
  392   3HZ   LYS  55           HZ3      LYS  55   0.551  -0.854  15.289
  393    H    CYS  56           HN       CYS  56  -3.890   1.752  10.278
  394    HA   CYS  56           HA       CYS  56  -3.211   4.554  10.736
  395   1HB   CYS  56           HB2      CYS  56  -5.500   3.052   9.768
  396   2HB   CYS  56           HB1      CYS  56  -5.990   4.273  10.944
   
  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           HT3      LEU   1   9.453   6.240   2.797
    2   2H    LEU   1           HT2      LEU   1  10.141   4.777   3.320
    3   3H    LEU   1           HT1      LEU   1   9.958   6.071   4.407
    4    HA   LEU   1           HA       LEU   1  11.933   6.875   3.875
    5   1HB   LEU   1           HB2      LEU   1  11.918   4.450   2.064
    6   2HB   LEU   1           HB1      LEU   1  13.331   5.490   2.248
    7    HG   LEU   1           HG       LEU   1  12.338   4.901   4.858
    8   1HD1  LEU   1          HD12      LEU   1  11.923   2.752   2.965
    9   2HD1  LEU   1          HD11      LEU   1  13.130   2.285   4.164
   10   3HD1  LEU   1          HD13      LEU   1  11.527   2.806   4.683
   11   1HD2  LEU   1          HD23      LEU   1  14.725   5.328   3.775
   12   2HD2  LEU   1          HD22      LEU   1  14.567   4.366   5.245
   13   3HD2  LEU   1          HD21      LEU   1  14.752   3.566   3.684
   14    H    ALA   2           HN       ALA   2  12.137   8.783   2.817
   15    HA   ALA   2           HA       ALA   2  12.212  10.322   1.042
   16   1HB   ALA   2           HB3      ALA   2  12.940   7.899  -0.112
   17   2HB   ALA   2           HB2      ALA   2  11.604   8.450  -1.123
   18   3HB   ALA   2           HB1      ALA   2  13.020   9.477  -0.896
   19    H    ALA   3           HN       ALA   3  10.479  11.640   0.783
   20    HA   ALA   3           HA       ALA   3   8.270  12.337   0.401
   21   1HB   ALA   3           HB1      ALA   3   8.729  11.430  -1.852
   22   2HB   ALA   3           HB3      ALA   3   8.227   9.829  -1.308
   23   3HB   ALA   3           HB2      ALA   3   7.053  11.144  -1.385
   24    H    VAL   4           HN       VAL   4   5.874  11.065   0.251
   25    HA   VAL   4           HA       VAL   4   5.847   9.112   2.508
   26    HB   VAL   4           HB       VAL   4   3.569  10.426   3.038
   27   1HG1  VAL   4          HG13      VAL   4   6.383  10.759   3.952
   28   2HG1  VAL   4          HG12      VAL   4   5.221  11.966   4.501
   29   3HG1  VAL   4          HG11      VAL   4   4.957  10.259   4.860
   30   1HG2  VAL   4          HG21      VAL   4   4.470  12.027   1.060
   31   2HG2  VAL   4          HG23      VAL   4   3.520  12.639   2.415
   32   3HG2  VAL   4          HG22      VAL   4   5.278  12.789   2.430
   33    H    SER   5           HN       SER   5   5.571   7.618   0.642
   34    HA   SER   5           HA       SER   5   2.942   6.721   0.294
   35   1HB   SER   5           HB2      SER   5   2.600   7.481  -2.142
   36   2HB   SER   5           HB1      SER   5   2.308   8.682  -0.888
   37    HG   SER   5           HG       SER   5   3.784   9.814  -1.851
   38    H    VAL   6           HN       VAL   6   2.843   4.907  -1.201
   39    HA   VAL   6           HA       VAL   6   5.555   3.918  -1.914
   40    HB   VAL   6           HB       VAL   6   2.895   2.468  -1.733
   41   1HG1  VAL   6          HG11      VAL   6   5.672   1.618  -2.520
   42   2HG1  VAL   6          HG13      VAL   6   4.583   0.468  -1.746
   43   3HG1  VAL   6          HG12      VAL   6   4.132   1.214  -3.278
   44   1HG2  VAL   6          HG21      VAL   6   4.825   3.259   0.240
   45   2HG2  VAL   6          HG23      VAL   6   3.351   2.318   0.468
   46   3HG2  VAL   6          HG22      VAL   6   4.867   1.503   0.082
   47    H    ASP   7           HN       ASP   7   5.904   2.979  -4.039
   48    HA   ASP   7           HA       ASP   7   4.413   4.410  -6.139
   49   1HB   ASP   7           HB2      ASP   7   6.938   4.139  -6.145
   50   2HB   ASP   7           HB1      ASP   7   6.678   2.427  -6.483
   51    H    CYS   8           HN       CYS   8   3.336   3.296  -7.892
   52    HA   CYS   8           HA       CYS   8   2.602   0.475  -7.227
   53   1HB   CYS   8           HB2      CYS   8   0.912   2.806  -8.021
   54   2HB   CYS   8           HB1      CYS   8   0.428   1.196  -8.554
   55    H    SER   9           HN       SER   9   4.765   0.860  -8.878
   56    HA   SER   9           HA       SER   9   3.818   0.865 -11.669
   57   1HB   SER   9           HB2      SER   9   6.509   0.875 -10.346
   58   2HB   SER   9           HB1      SER   9   6.371   0.404 -12.037
   59    HG   SER   9           HG       SER   9   6.692   2.735 -11.487
   60    H    GLU  10           HN       GLU  10   5.155  -1.378  -9.317
   61    HA   GLU  10           HA       GLU  10   4.931  -3.581 -11.303
   62   1HB   GLU  10           HB2      GLU  10   6.189  -3.460  -8.546
   63   2HB   GLU  10           HB1      GLU  10   6.099  -4.927  -9.521
   64   1HG   GLU  10           HG2      GLU  10   8.035  -4.280 -10.480
   65   2HG   GLU  10           HG1      GLU  10   7.115  -3.000 -11.272
   66    H    TYR  11           HN       TYR  11   2.492  -2.488 -10.429
   67    HA   TYR  11           HA       TYR  11   1.413  -4.745  -8.827
   68   1HB   TYR  11           HB2      TYR  11   0.985  -1.776  -8.503
   69   2HB   TYR  11           HB1      TYR  11  -0.208  -2.920  -7.910
   70    HD1  TYR  11           HD1      TYR  11   0.634  -4.833  -6.359
   71    HD2  TYR  11           HD2      TYR  11   2.910  -1.316  -7.265
   72    HE1  TYR  11           HE1      TYR  11   2.063  -5.245  -4.371
   73    HE2  TYR  11           HE2      TYR  11   4.334  -1.714  -5.275
   74    HH   TYR  11           HH       TYR  11   3.509  -3.787  -2.817
   75    HA   PRO  12           HA       PRO  12  -0.607  -4.645  -7.952
   76   1HB   PRO  12           HB2      PRO  12  -2.886  -6.177  -8.120
   77   2HB   PRO  12           HB1      PRO  12  -2.901  -4.417  -7.967
   78   1HG   PRO  12           HG2      PRO  12  -3.615  -6.059 -10.305
   79   2HG   PRO  12           HG1      PRO  12  -3.931  -4.340 -10.022
   80   1HD   PRO  12           HD2      PRO  12  -1.824  -5.544 -11.594
   81   2HD   PRO  12           HD1      PRO  12  -2.217  -3.852 -11.515
   82    H    LYS  13           HN       LYS  13  -0.825  -6.863  -6.810
   83    HA   LYS  13           HA       LYS  13   0.123  -9.090  -8.549
   84   1HB   LYS  13           HB2      LYS  13   1.349  -8.536  -5.847
   85   2HB   LYS  13           HB1      LYS  13   1.950  -9.587  -7.127
   86   1HG   LYS  13           HG2      LYS  13   2.276  -7.574  -8.570
   87   2HG   LYS  13           HG1      LYS  13   1.803  -6.563  -7.204
   88   1HD   LYS  13           HD2      LYS  13   4.054  -6.552  -6.799
   89   2HD   LYS  13           HD1      LYS  13   3.693  -8.088  -6.010
   90   1HE   LYS  13           HE2      LYS  13   3.993  -8.978  -8.530
   91   2HE   LYS  13           HE1      LYS  13   5.047  -7.567  -8.610
   92   1HZ   LYS  13           HZ2      LYS  13   5.202  -9.632  -6.484
   93   2HZ   LYS  13           HZ1      LYS  13   6.172  -9.634  -7.879
   94   3HZ   LYS  13           HZ3      LYS  13   6.297  -8.362  -6.764
   95    HA   PRO  14           HA       PRO  14  -2.924 -11.160  -6.073
   96   1HB   PRO  14           HB2      PRO  14  -2.532 -13.661  -7.137
   97   2HB   PRO  14           HB1      PRO  14  -3.422 -12.371  -7.965
   98   1HG   PRO  14           HG2      PRO  14  -0.693 -13.419  -8.521
   99   2HG   PRO  14           HG1      PRO  14  -1.825 -12.608  -9.613
  100   1HD   PRO  14           HD2      PRO  14   0.435 -11.445  -8.389
  101   2HD   PRO  14           HD1      PRO  14  -0.841 -10.579  -9.219
  102    H    ALA  15           HN       ALA  15   0.160 -11.082  -5.392
  103    HA   ALA  15           HA       ALA  15  -0.051 -12.805  -3.055
  104   1HB   ALA  15           HB3      ALA  15   0.897 -14.044  -5.350
  105   2HB   ALA  15           HB2      ALA  15   2.375 -13.556  -4.520
  106   3HB   ALA  15           HB1      ALA  15   1.200 -14.582  -3.698
  107    H    CYS  16           HN       CYS  16   1.646 -12.330  -1.530
  108    HA   CYS  16           HA       CYS  16   3.574 -10.215  -2.358
  109   1HB   CYS  16           HB2      CYS  16   1.527  -9.147  -1.345
  110   2HB   CYS  16           HB1      CYS  16   1.874 -10.031   0.141
  111    H    THR  17           HN       THR  17   5.342  -9.954  -0.787
  112    HA   THR  17           HA       THR  17   6.371 -12.442   0.175
  113    HB   THR  17           HB       THR  17   7.876 -10.789   1.568
  114    HG1  THR  17           HG1      THR  17   7.110  -8.913  -0.314
  115   1HG2  THR  17          HG21      THR  17   7.754 -11.443  -1.291
  116   2HG2  THR  17          HG23      THR  17   8.698  -9.997  -0.936
  117   3HG2  THR  17          HG22      THR  17   9.116 -11.531  -0.174
  118    H    LEU  18           HN       LEU  18   7.157 -11.921   2.860
  119    HA   LEU  18           HA       LEU  18   4.480 -11.813   4.160
  120   1HB   LEU  18           HB2      LEU  18   5.645 -13.300   5.942
  121   2HB   LEU  18           HB1      LEU  18   5.164 -14.046   4.421
  122    HG   LEU  18           HG       LEU  18   7.498 -14.605   5.227
  123   1HD1  LEU  18          HD13      LEU  18   6.558 -13.956   2.612
  124   2HD1  LEU  18          HD12      LEU  18   8.265 -13.526   2.728
  125   3HD1  LEU  18          HD11      LEU  18   7.745 -15.172   3.086
  126   1HD2  LEU  18          HD22      LEU  18   7.885 -12.142   5.917
  127   2HD2  LEU  18          HD21      LEU  18   9.223 -13.014   5.175
  128   3HD2  LEU  18          HD23      LEU  18   8.274 -11.880   4.220
  129    H    GLU  19           HN       GLU  19   7.453 -10.228   3.951
  130    HA   GLU  19           HA       GLU  19   7.928  -9.457   6.635
  131   1HB   GLU  19           HB2      GLU  19   8.953  -7.406   5.688
  132   2HB   GLU  19           HB1      GLU  19   9.488  -8.852   4.831
  133   1HG   GLU  19           HG2      GLU  19   7.072  -7.872   3.620
  134   2HG   GLU  19           HG1      GLU  19   8.242  -6.564   3.751
  135    H    TYR  20           HN       TYR  20   6.536  -8.506   7.963
  136    HA   TYR  20           HA       TYR  20   4.081  -7.328   6.946
  137   1HB   TYR  20           HB2      TYR  20   4.265  -8.672   9.071
  138   2HB   TYR  20           HB1      TYR  20   5.025  -7.264   9.809
  139    HD1  TYR  20           HD2      TYR  20   2.244  -7.498   7.306
  140    HD2  TYR  20           HD1      TYR  20   3.429  -6.358  11.278
  141    HE1  TYR  20           HE2      TYR  20   0.016  -6.496   7.682
  142    HE2  TYR  20           HE1      TYR  20   1.191  -5.356  11.654
  143    HH   TYR  20           HH       TYR  20  -1.252  -5.297   9.062
  144    H    ARG  21           HN       ARG  21   3.676  -5.326   6.567
  145    HA   ARG  21           HA       ARG  21   4.938  -3.077   7.931
  146   1HB   ARG  21           HB2      ARG  21   5.713  -2.107   5.666
  147   2HB   ARG  21           HB1      ARG  21   6.719  -3.376   6.364
  148   1HG   ARG  21           HG2      ARG  21   4.858  -4.818   4.916
  149   2HG   ARG  21           HG1      ARG  21   5.127  -3.408   3.897
  150   1HD   ARG  21           HD2      ARG  21   7.542  -4.679   5.073
  151   2HD   ARG  21           HD1      ARG  21   6.705  -5.578   3.808
  152    HE   ARG  21           HE       ARG  21   7.146  -3.735   2.274
  153   1HH1  ARG  21          HH21      ARG  21   7.267  -1.591   4.443
  154   2HH1  ARG  21          HH22      ARG  21   8.954  -1.196   4.424
  155   1HH2  ARG  21          HH11      ARG  21   9.872  -4.039   2.665
  156   2HH2  ARG  21          HH12      ARG  21  10.429  -2.585   3.423
  157    HA   PRO  22           HA       PRO  22   0.587  -2.759   6.446
  158   1HB   PRO  22           HB2      PRO  22  -0.248  -1.408   8.719
  159   2HB   PRO  22           HB1      PRO  22  -0.259  -3.178   8.525
  160   1HG   PRO  22           HG2      PRO  22   1.678  -1.446  10.021
  161   2HG   PRO  22           HG1      PRO  22   1.150  -3.102  10.372
  162   1HD   PRO  22           HD2      PRO  22   3.592  -2.476   9.211
  163   2HD   PRO  22           HD1      PRO  22   2.773  -4.042   9.019
  164    H    LEU  23           HN       LEU  23   0.068  -1.143   5.047
  165    HA   LEU  23           HA       LEU  23   1.063   1.600   5.734
  166   1HB   LEU  23           HB2      LEU  23   0.319   0.505   3.008
  167   2HB   LEU  23           HB1      LEU  23   1.108   2.049   3.356
  168    HG   LEU  23           HG       LEU  23   2.662   0.138   4.686
  169   1HD1  LEU  23          HD13      LEU  23   1.512  -0.898   2.132
  170   2HD1  LEU  23          HD12      LEU  23   3.216  -1.212   2.461
  171   3HD1  LEU  23          HD11      LEU  23   1.983  -1.772   3.591
  172   1HD2  LEU  23          HD22      LEU  23   3.086   2.272   3.128
  173   2HD2  LEU  23          HD21      LEU  23   4.348   1.084   3.450
  174   3HD2  LEU  23          HD23      LEU  23   3.433   1.009   1.945
  175    H    CYS  24           HN       CYS  24  -0.470   3.258   5.798
  176    HA   CYS  24           HA       CYS  24  -3.282   2.309   5.629
  177   1HB   CYS  24           HB2      CYS  24  -1.860   4.124   7.410
  178   2HB   CYS  24           HB1      CYS  24  -3.337   4.840   6.796
  179    H    GLY  25           HN       GLY  25  -4.617   3.007   4.116
  180   1HA   GLY  25           HA2      GLY  25  -3.743   4.645   1.923
  181   2HA   GLY  25           HA1      GLY  25  -5.332   4.095   2.198
  182    H    SER  26           HN       SER  26  -5.736   6.443   1.358
  183    HA   SER  26           HA       SER  26  -5.357   8.497   3.431
  184   1HB   SER  26           HB2      SER  26  -5.269   9.233   1.116
  185   2HB   SER  26           HB1      SER  26  -6.842   8.521   0.781
  186    HG   SER  26           HG       SER  26  -7.114  10.131   2.866
  187    H    ASP  27           HN       ASP  27  -7.740   6.162   2.519
  188    HA   ASP  27           HA       ASP  27  -9.990   7.475   3.821
  189   1HB   ASP  27           HB2      ASP  27 -11.036   5.176   3.597
  190   2HB   ASP  27           HB1      ASP  27 -10.491   5.890   2.082
  191    H    ASN  28           HN       ASN  28  -7.212   6.095   5.016
  192    HA   ASN  28           HA       ASN  28  -6.618   5.724   7.267
  193   1HB   ASN  28           HB2      ASN  28  -8.834   7.160   7.628
  194   2HB   ASN  28           HB1      ASN  28  -9.472   5.603   8.153
  195   1HD2  ASN  28          HD22      ASN  28  -8.047   6.098  11.331
  196   2HD2  ASN  28          HD21      ASN  28  -9.395   5.626  10.414
  197    H    LYS  29           HN       LYS  29  -7.322   3.646   5.266
  198    HA   LYS  29           HA       LYS  29  -8.287   1.490   7.069
  199   1HB   LYS  29           HB2      LYS  29  -9.561   1.527   5.059
  200   2HB   LYS  29           HB1      LYS  29  -8.130   1.752   4.058
  201   1HG   LYS  29           HG2      LYS  29  -7.360  -0.446   4.477
  202   2HG   LYS  29           HG1      LYS  29  -8.527  -0.696   5.774
  203   1HD   LYS  29           HD2      LYS  29  -9.102  -0.444   2.809
  204   2HD   LYS  29           HD1      LYS  29  -9.373  -1.854   3.835
  205   1HE   LYS  29           HE2      LYS  29 -10.814  -0.013   5.200
  206   2HE   LYS  29           HE1      LYS  29 -10.984   0.626   3.565
  207   1HZ   LYS  29           HZ2      LYS  29 -11.304  -2.230   3.747
  208   2HZ   LYS  29           HZ1      LYS  29 -12.476  -1.357   4.615
  209   3HZ   LYS  29           HZ3      LYS  29 -12.269  -1.075   2.956
  210    H    THR  30           HN       THR  30  -6.883  -0.168   7.610
  211    HA   THR  30           HA       THR  30  -4.049   0.237   6.930
  212    HB   THR  30           HB       THR  30  -5.436  -1.798   8.699
  213    HG1  THR  30           HG1      THR  30  -5.458   0.186   9.630
  214   1HG2  THR  30          HG22      THR  30  -2.502  -1.322   8.111
  215   2HG2  THR  30          HG21      THR  30  -3.073  -2.227   9.514
  216   3HG2  THR  30          HG23      THR  30  -3.411  -2.816   7.887
  217    H    TYR  31           HN       TYR  31  -2.775  -1.245   5.790
  218    HA   TYR  31           HA       TYR  31  -4.228  -3.461   4.434
  219   1HB   TYR  31           HB2      TYR  31  -2.486  -1.330   3.207
  220   2HB   TYR  31           HB1      TYR  31  -2.395  -2.960   2.594
  221    HD1  TYR  31           HD2      TYR  31  -4.715  -4.156   2.138
  222    HD2  TYR  31           HD1      TYR  31  -4.158   0.093   2.424
  223    HE1  TYR  31           HE2      TYR  31  -6.829  -3.795   0.894
  224    HE2  TYR  31           HE1      TYR  31  -6.271   0.454   1.178
  225    HH   TYR  31           HH       TYR  31  -8.087  -0.512   0.327
  226    H    GLY  32           HN       GLY  32  -3.207  -5.403   4.655
  227   1HA   GLY  32           HA2      GLY  32  -1.441  -6.042   6.564
  228   2HA   GLY  32           HA1      GLY  32  -1.387  -6.913   5.049
  229    H    ASN  33           HN       ASN  33  -0.338  -5.080   3.295
  230    HA   ASN  33           HA       ASN  33   1.879  -3.666   4.446
  231   1HB   ASN  33           HB2      ASN  33   3.707  -5.050   3.491
  232   2HB   ASN  33           HB1      ASN  33   2.815  -5.878   4.758
  233   1HD2  ASN  33          HD22      ASN  33   3.023  -8.426   2.190
  234   2HD2  ASN  33          HD21      ASN  33   3.959  -7.735   3.421
  235    H    LYS  34           HN       LYS  34   3.638  -3.566   2.385
  236    HA   LYS  34           HA       LYS  34   2.640  -1.619   0.730
  237   1HB   LYS  34           HB2      LYS  34   4.510  -2.081  -0.781
  238   2HB   LYS  34           HB1      LYS  34   5.036  -2.254   0.894
  239   1HG   LYS  34           HG2      LYS  34   4.716  -4.708   0.739
  240   2HG   LYS  34           HG1      LYS  34   4.209  -4.526  -0.940
  241   1HD   LYS  34           HD2      LYS  34   6.689  -3.144  -0.612
  242   2HD   LYS  34           HD1      LYS  34   6.864  -4.767   0.059
  243   1HE   LYS  34           HE2      LYS  34   5.632  -5.513  -2.134
  244   2HE   LYS  34           HE1      LYS  34   6.163  -3.949  -2.749
  245   1HZ   LYS  34           HZ3      LYS  34   8.436  -4.681  -1.802
  246   2HZ   LYS  34           HZ2      LYS  34   7.780  -6.248  -1.876
  247   3HZ   LYS  34           HZ1      LYS  34   7.917  -5.313  -3.288
  248    H    CYS  35           HN       CYS  35   2.633  -5.116  -0.096
  249    HA   CYS  35           HA       CYS  35   1.505  -4.699  -2.673
  250   1HB   CYS  35           HB2      CYS  35   1.045  -7.132  -0.951
  251   2HB   CYS  35           HB1      CYS  35   1.153  -7.038  -2.703
  252    H    ASN  36           HN       ASN  36  -0.147  -5.955   0.249
  253    HA   ASN  36           HA       ASN  36  -2.762  -5.779  -0.711
  254   1HB   ASN  36           HB2      ASN  36  -1.696  -5.349   2.083
  255   2HB   ASN  36           HB1      ASN  36  -3.418  -5.438   1.712
  256   1HD2  ASN  36          HD22      ASN  36  -1.128  -8.829   1.436
  257   2HD2  ASN  36          HD21      ASN  36  -0.384  -7.308   1.528
  258    H    PHE  37           HN       PHE  37  -0.600  -3.173   0.082
  259    HA   PHE  37           HA       PHE  37  -2.745  -1.211   0.449
  260   1HB   PHE  37           HB2      PHE  37  -0.611  -0.884   1.557
  261   2HB   PHE  37           HB1      PHE  37   0.244  -0.822   0.153
  262    HD1  PHE  37           HD1      PHE  37  -2.970   0.692   1.121
  263    HD2  PHE  37           HD2      PHE  37   1.000   1.260  -0.296
  264    HE1  PHE  37           HE1      PHE  37  -3.443   3.116   0.845
  265    HE2  PHE  37           HE2      PHE  37   0.570   3.696  -0.583
  266    HZ   PHE  37           HZ       PHE  37  -1.663   4.625  -0.008
  267    H    CYS  38           HN       CYS  38  -0.183  -1.574  -1.929
  268    HA   CYS  38           HA       CYS  38  -1.113   0.372  -3.735
  269   1HB   CYS  38           HB2      CYS  38   1.131  -0.494  -3.986
  270   2HB   CYS  38           HB1      CYS  38   0.521  -2.109  -4.341
  271    H    ASN  39           HN       ASN  39  -1.816  -3.176  -3.801
  272    HA   ASN  39           HA       ASN  39  -3.309  -3.227  -6.167
  273   1HB   ASN  39           HB2      ASN  39  -4.903  -4.644  -4.274
  274   2HB   ASN  39           HB1      ASN  39  -3.799  -5.314  -5.468
  275   1HD2  ASN  39          HD22      ASN  39  -1.336  -6.131  -3.083
  276   2HD2  ASN  39          HD21      ASN  39  -1.787  -6.134  -4.717
  277    H    ALA  40           HN       ALA  40  -4.090  -1.719  -3.117
  278    HA   ALA  40           HA       ALA  40  -6.878  -1.204  -3.738
  279   1HB   ALA  40           HB1      ALA  40  -5.877  -1.073  -1.416
  280   2HB   ALA  40           HB3      ALA  40  -5.032   0.389  -1.925
  281   3HB   ALA  40           HB2      ALA  40  -6.796   0.360  -1.876
  282    H    VAL  41           HN       VAL  41  -3.856   0.650  -3.935
  283    HA   VAL  41           HA       VAL  41  -4.860   3.017  -5.119
  284    HB   VAL  41           HB       VAL  41  -2.215   1.610  -5.605
  285   1HG1  VAL  41          HG12      VAL  41  -3.254   3.711  -7.042
  286   2HG1  VAL  41          HG11      VAL  41  -2.351   4.544  -5.777
  287   3HG1  VAL  41          HG13      VAL  41  -1.534   3.390  -6.831
  288   1HG2  VAL  41          HG23      VAL  41  -2.734   2.135  -3.222
  289   2HG2  VAL  41          HG22      VAL  41  -1.371   3.071  -3.837
  290   3HG2  VAL  41          HG21      VAL  41  -2.956   3.827  -3.671
  291    H    VAL  42           HN       VAL  42  -3.423   0.205  -6.824
  292    HA   VAL  42           HA       VAL  42  -3.892   1.043  -9.441
  293    HB   VAL  42           HB       VAL  42  -3.542  -1.220 -10.104
  294   1HG1  VAL  42          HG12      VAL  42  -1.901  -0.045  -8.197
  295   2HG1  VAL  42          HG11      VAL  42  -2.170  -1.671  -7.567
  296   3HG1  VAL  42          HG13      VAL  42  -1.496  -1.453  -9.181
  297   1HG2  VAL  42          HG22      VAL  42  -5.093  -1.777  -7.695
  298   2HG2  VAL  42          HG21      VAL  42  -4.923  -2.733  -9.163
  299   3HG2  VAL  42          HG23      VAL  42  -3.715  -2.841  -7.890
  300    H    GLU  43           HN       GLU  43  -6.220  -0.453  -7.192
  301    HA   GLU  43           HA       GLU  43  -8.218  -0.608  -9.365
  302   1HB   GLU  43           HB2      GLU  43  -7.780  -2.228  -7.219
  303   2HB   GLU  43           HB1      GLU  43  -9.043  -1.183  -6.581
  304   1HG   GLU  43           HG2      GLU  43 -10.403  -1.645  -8.616
  305   2HG   GLU  43           HG1      GLU  43  -9.158  -2.773  -9.154
  306    H    SER  44           HN       SER  44  -7.155   1.607  -7.051
  307    HA   SER  44           HA       SER  44  -9.801   2.931  -6.874
  308   1HB   SER  44           HB2      SER  44  -8.340   2.543  -4.816
  309   2HB   SER  44           HB1      SER  44  -7.253   3.762  -5.476
  310    HG   SER  44           HG       SER  44  -9.703   4.029  -4.275
  311    H    ASN  45           HN       ASN  45  -7.070   3.012  -8.810
  312    HA   ASN  45           HA       ASN  45  -6.553   4.513 -10.563
  313   1HB   ASN  45           HB2      ASN  45  -9.153   5.202  -9.999
  314   2HB   ASN  45           HB1      ASN  45  -8.298   6.692  -9.618
  315   1HD2  ASN  45          HD22      ASN  45  -6.844   6.428 -13.142
  316   2HD2  ASN  45          HD21      ASN  45  -6.138   6.144 -11.626
  317    H    GLY  46           HN       GLY  46  -5.451   4.461  -7.793
  318   1HA   GLY  46           HA2      GLY  46  -3.827   5.629  -6.591
  319   2HA   GLY  46           HA1      GLY  46  -3.652   6.677  -7.990
  320    H    THR  47           HN       THR  47  -6.855   6.499  -6.868
  321    HA   THR  47           HA       THR  47  -6.660   9.245  -5.810
  322    HB   THR  47           HB       THR  47  -8.531   8.499  -7.347
  323    HG1  THR  47           HG1      THR  47  -9.328  10.176  -6.390
  324   1HG2  THR  47          HG23      THR  47  -8.655   6.311  -5.737
  325   2HG2  THR  47          HG22      THR  47  -9.956   7.288  -5.056
  326   3HG2  THR  47          HG21      THR  47  -9.985   6.846  -6.762
  327    H    LEU  48           HN       LEU  48  -6.225   6.195  -4.587
  328    HA   LEU  48           HA       LEU  48  -7.605   6.529  -2.048
  329   1HB   LEU  48           HB2      LEU  48  -7.336   4.287  -2.107
  330   2HB   LEU  48           HB1      LEU  48  -6.289   4.431  -3.505
  331    HG   LEU  48           HG       LEU  48  -4.343   4.757  -2.013
  332   1HD1  LEU  48          HD13      LEU  48  -6.252   5.472  -0.132
  333   2HD1  LEU  48          HD12      LEU  48  -5.715   3.883   0.410
  334   3HD1  LEU  48          HD11      LEU  48  -4.544   5.184   0.198
  335   1HD2  LEU  48          HD21      LEU  48  -5.170   2.483  -2.736
  336   2HD2  LEU  48          HD23      LEU  48  -4.202   2.486  -1.262
  337   3HD2  LEU  48          HD22      LEU  48  -5.957   2.353  -1.163
  338    H    THR  49           HN       THR  49  -4.192   6.331  -2.928
  339    HA   THR  49           HA       THR  49  -2.277   7.220  -1.970
  340    HB   THR  49           HB       THR  49  -2.379   9.548  -1.476
  341    HG1  THR  49           HG1      THR  49  -4.100   9.856  -0.213
  342   1HG2  THR  49          HG23      THR  49  -4.317   8.727  -3.627
  343   2HG2  THR  49          HG22      THR  49  -3.607  10.335  -3.486
  344   3HG2  THR  49          HG21      THR  49  -2.575   8.939  -3.800
  345    H    LEU  50           HN       LEU  50  -1.297   6.778  -0.169
  346    HA   LEU  50           HA       LEU  50  -2.839   6.319   2.297
  347   1HB   LEU  50           HB2      LEU  50  -1.331   4.637   2.298
  348   2HB   LEU  50           HB1      LEU  50  -0.342   5.427   1.081
  349    HG   LEU  50           HG       LEU  50  -0.236   6.449   3.895
  350   1HD1  LEU  50          HD12      LEU  50   1.066   3.950   2.817
  351   2HD1  LEU  50          HD11      LEU  50   1.564   4.762   4.301
  352   3HD1  LEU  50          HD13      LEU  50  -0.049   4.064   4.177
  353   1HD2  LEU  50          HD22      LEU  50   1.675   6.187   1.557
  354   2HD2  LEU  50          HD21      LEU  50   1.023   7.676   2.242
  355   3HD2  LEU  50          HD23      LEU  50   2.185   6.717   3.160
  356    H    SER  51           HN       SER  51  -2.073   7.254   4.359
  357    HA   SER  51           HA       SER  51  -1.176  10.074   3.953
  358   1HB   SER  51           HB2      SER  51  -3.409   9.173   5.264
  359   2HB   SER  51           HB1      SER  51  -2.262   9.224   6.567
  360    HG   SER  51           HG       SER  51  -2.940  11.328   4.796
  361    H    HIS  52           HN       HIS  52  -0.572   7.067   5.604
  362    HA   HIS  52           HA       HIS  52   2.121   7.969   6.340
  363   1HB   HIS  52           HB2      HIS  52   1.795   7.534   8.737
  364   2HB   HIS  52           HB1      HIS  52   0.694   8.802   8.193
  365    HD1  HIS  52           HD1      HIS  52   0.504   6.168  10.380
  366    HD2  HIS  52           HD2      HIS  52  -1.791   7.060   7.006
  367    HE1  HIS  52           HE1      HIS  52  -1.649   4.866  10.602
  368    H    PHE  53           HN       PHE  53   3.359   6.160   7.285
  369    HA   PHE  53           HA       PHE  53   2.616   3.602   6.061
  370   1HB   PHE  53           HB2      PHE  53   5.010   4.503   7.688
  371   2HB   PHE  53           HB1      PHE  53   4.824   2.865   7.060
  372    HD1  PHE  53           HD2      PHE  53   4.680   6.436   5.929
  373    HD2  PHE  53           HD1      PHE  53   5.618   2.369   4.917
  374    HE1  PHE  53           HE2      PHE  53   5.536   7.184   3.725
  375    HE2  PHE  53           HE1      PHE  53   6.475   3.116   2.712
  376    HZ   PHE  53           HZ       PHE  53   6.434   5.523   2.116
  377    H    GLY  54           HN       GLY  54   3.124   1.605   7.631
  378   1HA   GLY  54           HA2      GLY  54   2.583   0.432   9.600
  379   2HA   GLY  54           HA1      GLY  54   2.386   1.962  10.406
  380    H    LYS  55           HN       LYS  55   0.475   0.769  11.341
  381    HA   LYS  55           HA       LYS  55  -1.855   0.600   9.529
  382   1HB   LYS  55           HB2      LYS  55  -2.169   0.178  12.464
  383   2HB   LYS  55           HB1      LYS  55  -2.842  -0.744  11.119
  384   1HG   LYS  55           HG2      LYS  55  -0.190  -1.262  10.792
  385   2HG   LYS  55           HG1      LYS  55  -0.270  -1.091  12.545
  386   1HD   LYS  55           HD2      LYS  55  -2.512  -2.612  11.970
  387   2HD   LYS  55           HD1      LYS  55  -1.309  -3.231  10.838
  388   1HE   LYS  55           HE2      LYS  55   0.059  -4.028  12.509
  389   2HE   LYS  55           HE1      LYS  55  -0.419  -2.766  13.644
  390   1HZ   LYS  55           HZ2      LYS  55  -2.717  -4.033  13.391
  391   2HZ   LYS  55           HZ1      LYS  55  -1.670  -5.336  13.086
  392   3HZ   LYS  55           HZ3      LYS  55  -1.554  -4.479  14.545
  393    H    CYS  56           HN       CYS  56  -3.902   1.656  10.298
  394    HA   CYS  56           HA       CYS  56  -3.457   4.470  10.703
  395   1HB   CYS  56           HB2      CYS  56  -5.909   2.720  10.594
  396   2HB   CYS  56           HB1      CYS  56  -6.026   4.442  10.965
   
  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  10.143  12.700  -6.932
    2   2H    LEU   1           HT2      LEU   1  11.056  11.464  -7.657
    3   3H    LEU   1           HT1      LEU   1   9.746  12.157  -8.489
    4    HA   LEU   1           HA       LEU   1   8.183  11.239  -6.945
    5   1HB   LEU   1           HB2      LEU   1   8.523   8.861  -7.426
    6   2HB   LEU   1           HB1      LEU   1   8.962   9.821  -8.838
    7    HG   LEU   1           HG       LEU   1  11.219   9.476  -7.026
    8   1HD1  LEU   1          HD11      LEU   1   9.553   7.242  -7.158
    9   2HD1  LEU   1          HD13      LEU   1  10.783   6.927  -8.382
   10   3HD1  LEU   1          HD12      LEU   1  11.260   7.238  -6.714
   11   1HD2  LEU   1          HD22      LEU   1  11.286  10.240  -9.407
   12   2HD2  LEU   1          HD21      LEU   1  12.322   8.844  -9.113
   13   3HD2  LEU   1          HD23      LEU   1  10.762   8.631  -9.906
   14    H    ALA   2           HN       ALA   2   9.369  12.397  -4.948
   15    HA   ALA   2           HA       ALA   2  10.327  10.201  -3.154
   16   1HB   ALA   2           HB1      ALA   2  12.043  11.976  -3.731
   17   2HB   ALA   2           HB3      ALA   2  11.012  13.143  -2.904
   18   3HB   ALA   2           HB2      ALA   2  11.720  11.800  -2.006
   19    H    ALA   3           HN       ALA   3  10.199  12.189  -0.900
   20    HA   ALA   3           HA       ALA   3   8.627  12.969   0.665
   21   1HB   ALA   3           HB3      ALA   3   7.454  13.501  -1.898
   22   2HB   ALA   3           HB2      ALA   3   6.192  12.923  -0.809
   23   3HB   ALA   3           HB1      ALA   3   7.163  14.328  -0.368
   24    H    VAL   4           HN       VAL   4   5.930  12.234   0.997
   25    HA   VAL   4           HA       VAL   4   6.272   9.417   1.775
   26    HB   VAL   4           HB       VAL   4   3.989  11.372   2.181
   27   1HG1  VAL   4          HG13      VAL   4   3.428   8.855   2.096
   28   2HG1  VAL   4          HG12      VAL   4   4.374   8.722   3.578
   29   3HG1  VAL   4          HG11      VAL   4   2.934   9.738   3.540
   30   1HG2  VAL   4          HG23      VAL   4   6.478  10.724   3.616
   31   2HG2  VAL   4          HG22      VAL   4   5.452  12.153   3.736
   32   3HG2  VAL   4          HG21      VAL   4   5.038  10.694   4.635
   33    H    SER   5           HN       SER   5   6.337   8.583  -0.463
   34    HA   SER   5           HA       SER   5   3.588   8.064  -1.459
   35   1HB   SER   5           HB2      SER   5   4.000   9.645  -3.072
   36   2HB   SER   5           HB1      SER   5   5.748   9.517  -2.897
   37    HG   SER   5           HG       SER   5   3.977   7.754  -4.239
   38    H    VAL   6           HN       VAL   6   3.398   5.885  -1.662
   39    HA   VAL   6           HA       VAL   6   5.855   4.246  -1.792
   40    HB   VAL   6           HB       VAL   6   3.046   3.162  -1.704
   41   1HG1  VAL   6          HG13      VAL   6   5.781   2.263  -0.779
   42   2HG1  VAL   6          HG12      VAL   6   4.301   1.477  -0.232
   43   3HG1  VAL   6          HG11      VAL   6   4.717   1.478  -1.946
   44   1HG2  VAL   6          HG21      VAL   6   3.302   4.979   0.018
   45   2HG2  VAL   6          HG23      VAL   6   3.047   3.378   0.714
   46   3HG2  VAL   6          HG22      VAL   6   4.664   4.082   0.692
   47    H    ASP   7           HN       ASP   7   6.124   2.596  -3.446
   48    HA   ASP   7           HA       ASP   7   5.332   3.472  -6.089
   49   1HB   ASP   7           HB2      ASP   7   7.458   2.202  -5.510
   50   2HB   ASP   7           HB1      ASP   7   6.455   0.760  -5.340
   51    H    CYS   8           HN       CYS   8   3.990   2.215  -7.598
   52    HA   CYS   8           HA       CYS   8   2.303   0.085  -6.525
   53   1HB   CYS   8           HB2      CYS   8   1.335   2.251  -5.633
   54   2HB   CYS   8           HB1      CYS   8   0.986   2.701  -7.298
   55    H    SER   9           HN       SER   9   4.093   0.779  -8.874
   56    HA   SER   9           HA       SER   9   2.201   0.670 -11.141
   57   1HB   SER   9           HB2      SER   9   3.929   1.959 -11.892
   58   2HB   SER   9           HB1      SER   9   5.086   1.233 -10.779
   59    HG   SER   9           HG       SER   9   4.486   0.596 -13.367
   60    H    GLU  10           HN       GLU  10   3.594  -1.573  -9.067
   61    HA   GLU  10           HA       GLU  10   3.631  -3.661 -11.211
   62   1HB   GLU  10           HB2      GLU  10   4.837  -3.894  -8.445
   63   2HB   GLU  10           HB1      GLU  10   5.123  -4.938  -9.838
   64   1HG   GLU  10           HG2      GLU  10   6.853  -3.624 -10.418
   65   2HG   GLU  10           HG1      GLU  10   5.715  -2.302 -10.685
   66    H    TYR  11           HN       TYR  11   1.154  -2.737  -9.993
   67    HA   TYR  11           HA       TYR  11   0.328  -5.275  -8.755
   68   1HB   TYR  11           HB2      TYR  11  -0.295  -2.487  -7.781
   69   2HB   TYR  11           HB1      TYR  11  -1.064  -3.941  -7.151
   70    HD1  TYR  11           HD2      TYR  11   2.087  -2.026  -7.340
   71    HD2  TYR  11           HD1      TYR  11   0.207  -5.600  -5.864
   72    HE1  TYR  11           HE2      TYR  11   4.049  -2.463  -5.893
   73    HE2  TYR  11           HE1      TYR  11   2.175  -6.032  -4.418
   74    HH   TYR  11           HH       TYR  11   5.092  -4.667  -4.827
   75    HA   PRO  12           HA       PRO  12  -1.846  -5.508  -7.711
   76   1HB   PRO  12           HB2      PRO  12  -3.408  -7.653  -8.466
   77   2HB   PRO  12           HB1      PRO  12  -4.073  -6.091  -7.950
   78   1HG   PRO  12           HG2      PRO  12  -3.814  -7.204 -10.723
   79   2HG   PRO  12           HG1      PRO  12  -5.043  -6.109 -10.063
   80   1HD   PRO  12           HD2      PRO  12  -2.874  -5.291 -11.628
   81   2HD   PRO  12           HD1      PRO  12  -3.823  -4.258 -10.615
   82    H    LYS  13           HN       LYS  13  -0.596  -7.223  -6.954
   83    HA   LYS  13           HA       LYS  13   0.935  -8.722  -9.034
   84   1HB   LYS  13           HB2      LYS  13   1.774  -7.230  -6.797
   85   2HB   LYS  13           HB1      LYS  13   2.007  -8.918  -6.348
   86   1HG   LYS  13           HG2      LYS  13   2.924  -8.852  -8.957
   87   2HG   LYS  13           HG1      LYS  13   3.454  -7.297  -8.318
   88   1HD   LYS  13           HD2      LYS  13   4.147  -8.819  -6.232
   89   2HD   LYS  13           HD1      LYS  13   4.245 -10.053  -7.488
   90   1HE   LYS  13           HE2      LYS  13   6.260  -9.235  -8.065
   91   2HE   LYS  13           HE1      LYS  13   5.470  -7.739  -8.558
   92   1HZ   LYS  13           HZ3      LYS  13   5.622  -6.978  -6.247
   93   2HZ   LYS  13           HZ2      LYS  13   6.474  -8.391  -5.842
   94   3HZ   LYS  13           HZ1      LYS  13   7.149  -7.270  -6.925
   95    HA   PRO  14           HA       PRO  14  -1.010 -12.401  -7.562
   96   1HB   PRO  14           HB2      PRO  14   0.730 -14.194  -8.698
   97   2HB   PRO  14           HB1      PRO  14  -0.500 -13.306  -9.614
   98   1HG   PRO  14           HG2      PRO  14   2.448 -12.864  -9.509
   99   2HG   PRO  14           HG1      PRO  14   1.306 -12.498 -10.811
  100   1HD   PRO  14           HD2      PRO  14   2.391 -10.627  -9.020
  101   2HD   PRO  14           HD1      PRO  14   0.984 -10.365 -10.040
  102    H    ALA  15           HN       ALA  15   1.497 -11.100  -6.111
  103    HA   ALA  15           HA       ALA  15   1.693 -13.184  -4.077
  104   1HB   ALA  15           HB3      ALA  15   3.575 -13.265  -6.151
  105   2HB   ALA  15           HB2      ALA  15   4.411 -12.458  -4.825
  106   3HB   ALA  15           HB1      ALA  15   3.712 -14.060  -4.583
  107    H    CYS  16           HN       CYS  16   1.519 -11.978  -2.251
  108    HA   CYS  16           HA       CYS  16   2.636  -9.217  -2.274
  109   1HB   CYS  16           HB2      CYS  16   0.634 -10.556  -0.434
  110   2HB   CYS  16           HB1      CYS  16   1.225  -8.910  -0.226
  111    H    THR  17           HN       THR  17   4.217  -8.608  -0.828
  112    HA   THR  17           HA       THR  17   6.086 -10.397   0.186
  113    HB   THR  17           HB       THR  17   6.338  -8.506   2.053
  114    HG1  THR  17           HG1      THR  17   5.020  -7.056   0.049
  115   1HG2  THR  17          HG21      THR  17   7.098  -8.724  -0.772
  116   2HG2  THR  17          HG23      THR  17   7.134  -7.069  -0.164
  117   3HG2  THR  17          HG22      THR  17   8.088  -8.321   0.631
  118    H    LEU  18           HN       LEU  18   6.280 -11.600   2.118
  119    HA   LEU  18           HA       LEU  18   3.718 -11.987   3.541
  120   1HB   LEU  18           HB2      LEU  18   6.205 -13.540   4.195
  121   2HB   LEU  18           HB1      LEU  18   4.522 -14.070   4.206
  122    HG   LEU  18           HG       LEU  18   5.018 -13.313   1.552
  123   1HD1  LEU  18          HD11      LEU  18   7.488 -13.930   2.813
  124   2HD1  LEU  18          HD13      LEU  18   7.073 -15.308   1.793
  125   3HD1  LEU  18          HD12      LEU  18   7.187 -13.693   1.092
  126   1HD2  LEU  18          HD21      LEU  18   3.670 -15.240   2.549
  127   2HD2  LEU  18          HD23      LEU  18   4.587 -15.627   1.093
  128   3HD2  LEU  18          HD22      LEU  18   5.194 -16.120   2.675
  129    H    GLU  19           HN       GLU  19   6.837 -10.510   4.056
  130    HA   GLU  19           HA       GLU  19   6.931 -10.559   6.886
  131   1HB   GLU  19           HB2      GLU  19   8.410  -8.670   6.728
  132   2HB   GLU  19           HB1      GLU  19   8.738  -9.684   5.326
  133   1HG   GLU  19           HG2      GLU  19   6.625  -7.688   4.858
  134   2HG   GLU  19           HG1      GLU  19   8.198  -6.986   5.227
  135    H    TYR  20           HN       TYR  20   6.743  -7.950   7.749
  136    HA   TYR  20           HA       TYR  20   3.944  -7.218   7.061
  137   1HB   TYR  20           HB2      TYR  20   4.074  -8.584   9.166
  138   2HB   TYR  20           HB1      TYR  20   4.912  -7.226   9.914
  139    HD1  TYR  20           HD2      TYR  20   2.085  -7.353   7.438
  140    HD2  TYR  20           HD1      TYR  20   3.385  -6.186  11.371
  141    HE1  TYR  20           HE2      TYR  20  -0.087  -6.242   7.828
  142    HE2  TYR  20           HE1      TYR  20   1.202  -5.073  11.757
  143    HH   TYR  20           HH       TYR  20  -1.344  -5.555  10.553
  144    H    ARG  21           HN       ARG  21   3.911  -5.307   6.385
  145    HA   ARG  21           HA       ARG  21   5.213  -3.071   7.815
  146   1HB   ARG  21           HB2      ARG  21   5.682  -3.717   4.880
  147   2HB   ARG  21           HB1      ARG  21   6.021  -2.139   5.591
  148   1HG   ARG  21           HG2      ARG  21   7.162  -4.459   7.037
  149   2HG   ARG  21           HG1      ARG  21   7.854  -4.141   5.449
  150   1HD   ARG  21           HD2      ARG  21   7.603  -1.618   6.661
  151   2HD   ARG  21           HD1      ARG  21   8.228  -2.679   7.923
  152    HE   ARG  21           HE       ARG  21   9.874  -3.334   5.884
  153   1HH1  ARG  21          HH11      ARG  21   9.998  -1.326   4.117
  154   2HH1  ARG  21          HH12      ARG  21  10.816   0.010   4.856
  155   1HH2  ARG  21          HH21      ARG  21  10.371  -1.161   8.087
  156   2HH2  ARG  21          HH22      ARG  21  11.024   0.105   7.101
  157    HA   PRO  22           HA       PRO  22   0.822  -2.703   6.408
  158   1HB   PRO  22           HB2      PRO  22   0.019  -1.491   8.771
  159   2HB   PRO  22           HB1      PRO  22  -0.009  -3.250   8.470
  160   1HG   PRO  22           HG2      PRO  22   1.953  -1.619  10.044
  161   2HG   PRO  22           HG1      PRO  22   1.422  -3.290  10.302
  162   1HD   PRO  22           HD2      PRO  22   3.853  -2.605   9.157
  163   2HD   PRO  22           HD1      PRO  22   3.025  -4.153   8.877
  164    H    LEU  23           HN       LEU  23   0.094  -0.941   5.264
  165    HA   LEU  23           HA       LEU  23   1.191   1.704   6.151
  166   1HB   LEU  23           HB2      LEU  23   0.321   1.064   3.337
  167   2HB   LEU  23           HB1      LEU  23   1.346   2.390   3.897
  168    HG   LEU  23           HG       LEU  23   2.524  -0.055   4.769
  169   1HD1  LEU  23          HD13      LEU  23   1.009  -0.734   2.688
  170   2HD1  LEU  23          HD12      LEU  23   2.375  -0.065   1.794
  171   3HD1  LEU  23          HD11      LEU  23   2.624  -1.407   2.911
  172   1HD2  LEU  23          HD21      LEU  23   3.322   2.373   3.857
  173   2HD2  LEU  23          HD23      LEU  23   4.393   0.977   3.984
  174   3HD2  LEU  23          HD22      LEU  23   3.646   1.376   2.437
  175    H    CYS  24           HN       CYS  24  -0.302   3.294   6.488
  176    HA   CYS  24           HA       CYS  24  -3.126   2.509   6.553
  177   1HB   CYS  24           HB2      CYS  24  -2.134   4.049   8.272
  178   2HB   CYS  24           HB1      CYS  24  -1.868   5.215   7.001
  179    H    GLY  25           HN       GLY  25  -4.350   2.627   4.698
  180   1HA   GLY  25           HA2      GLY  25  -3.404   3.922   2.358
  181   2HA   GLY  25           HA1      GLY  25  -5.012   3.406   2.577
  182    H    SER  26           HN       SER  26  -5.542   5.505   1.429
  183    HA   SER  26           HA       SER  26  -5.215   7.934   3.073
  184   1HB   SER  26           HB2      SER  26  -5.069   8.370   0.745
  185   2HB   SER  26           HB1      SER  26  -6.468   7.366   0.382
  186    HG   SER  26           HG       SER  26  -6.325   9.945   1.472
  187    H    ASP  27           HN       ASP  27  -7.704   5.581   2.262
  188    HA   ASP  27           HA       ASP  27  -9.910   7.091   3.355
  189   1HB   ASP  27           HB2      ASP  27 -10.932   4.694   3.536
  190   2HB   ASP  27           HB1      ASP  27 -10.592   5.350   1.935
  191    H    ASN  28           HN       ASN  28  -7.225   5.778   4.824
  192    HA   ASN  28           HA       ASN  28  -6.703   5.818   7.120
  193   1HB   ASN  28           HB2      ASN  28  -9.090   7.119   7.189
  194   2HB   ASN  28           HB1      ASN  28  -9.507   5.641   8.056
  195   1HD2  ASN  28          HD22      ASN  28  -7.474   8.444  10.012
  196   2HD2  ASN  28          HD21      ASN  28  -8.354   8.718   8.587
  197    H    LYS  29           HN       LYS  29  -7.747   3.516   5.280
  198    HA   LYS  29           HA       LYS  29  -8.334   1.547   7.414
  199   1HB   LYS  29           HB2      LYS  29  -9.781   1.541   5.413
  200   2HB   LYS  29           HB1      LYS  29  -8.371   1.231   4.403
  201   1HG   LYS  29           HG2      LYS  29  -8.165  -0.927   5.095
  202   2HG   LYS  29           HG1      LYS  29  -8.761  -0.576   6.715
  203   1HD   LYS  29           HD2      LYS  29 -10.626  -1.669   5.960
  204   2HD   LYS  29           HD1      LYS  29 -11.007  -0.085   5.284
  205   1HE   LYS  29           HE2      LYS  29  -9.265  -1.347   3.440
  206   2HE   LYS  29           HE1      LYS  29 -10.474  -2.549   3.891
  207   1HZ   LYS  29           HZ3      LYS  29 -11.888  -0.232   3.587
  208   2HZ   LYS  29           HZ2      LYS  29 -10.765  -0.188   2.313
  209   3HZ   LYS  29           HZ1      LYS  29 -11.816  -1.512   2.477
  210    H    THR  30           HN       THR  30  -6.614   0.551   8.235
  211    HA   THR  30           HA       THR  30  -3.958   0.739   7.308
  212    HB   THR  30           HB       THR  30  -5.297  -1.424   8.962
  213    HG1  THR  30           HG1      THR  30  -5.085   0.027  10.435
  214   1HG2  THR  30          HG21      THR  30  -3.250  -2.294   7.882
  215   2HG2  THR  30          HG23      THR  30  -2.341  -0.917   8.507
  216   3HG2  THR  30          HG22      THR  30  -3.023  -2.102   9.620
  217    H    TYR  31           HN       TYR  31  -2.612  -0.922   6.300
  218    HA   TYR  31           HA       TYR  31  -4.114  -2.872   4.625
  219   1HB   TYR  31           HB2      TYR  31  -2.217  -0.730   3.742
  220   2HB   TYR  31           HB1      TYR  31  -2.023  -2.312   3.026
  221    HD1  TYR  31           HD2      TYR  31  -4.072  -3.441   1.979
  222    HD2  TYR  31           HD1      TYR  31  -3.980   0.696   3.103
  223    HE1  TYR  31           HE2      TYR  31  -6.031  -3.008   0.523
  224    HE2  TYR  31           HE1      TYR  31  -5.942   1.134   1.651
  225    HH   TYR  31           HH       TYR  31  -7.302   0.286   0.097
  226    H    GLY  32           HN       GLY  32  -3.210  -4.926   4.749
  227   1HA   GLY  32           HA2      GLY  32  -1.560  -5.726   6.764
  228   2HA   GLY  32           HA1      GLY  32  -1.558  -6.579   5.231
  229    H    ASN  33           HN       ASN  33  -0.392  -4.840   3.514
  230    HA   ASN  33           HA       ASN  33   1.969  -3.635   4.677
  231   1HB   ASN  33           HB2      ASN  33   3.624  -5.122   3.587
  232   2HB   ASN  33           HB1      ASN  33   2.669  -5.976   4.786
  233   1HD2  ASN  33          HD22      ASN  33   2.574  -8.282   1.980
  234   2HD2  ASN  33          HD21      ASN  33   3.600  -7.808   3.245
  235    H    LYS  34           HN       LYS  34   3.570  -3.799   2.302
  236    HA   LYS  34           HA       LYS  34   2.380  -1.662   0.856
  237   1HB   LYS  34           HB2      LYS  34   4.241  -2.377  -0.892
  238   2HB   LYS  34           HB1      LYS  34   4.679  -1.624   0.637
  239   1HG   LYS  34           HG2      LYS  34   5.623  -3.525   1.455
  240   2HG   LYS  34           HG1      LYS  34   4.380  -4.564   0.756
  241   1HD   LYS  34           HD2      LYS  34   6.652  -3.267  -0.784
  242   2HD   LYS  34           HD1      LYS  34   6.587  -4.961  -0.295
  243   1HE   LYS  34           HE2      LYS  34   4.156  -4.157  -1.681
  244   2HE   LYS  34           HE1      LYS  34   5.588  -3.889  -2.674
  245   1HZ   LYS  34           HZ2      LYS  34   6.159  -6.274  -1.706
  246   2HZ   LYS  34           HZ1      LYS  34   4.464  -6.381  -1.667
  247   3HZ   LYS  34           HZ3      LYS  34   5.260  -6.061  -3.131
  248    H    CYS  35           HN       CYS  35   2.945  -5.017  -0.297
  249    HA   CYS  35           HA       CYS  35   1.750  -4.887  -2.771
  250   1HB   CYS  35           HB2      CYS  35   2.681  -6.955  -1.757
  251   2HB   CYS  35           HB1      CYS  35   1.243  -7.086  -0.750
  252    H    ASN  36           HN       ASN  36  -0.087  -5.642   0.211
  253    HA   ASN  36           HA       ASN  36  -2.640  -5.533  -1.020
  254   1HB   ASN  36           HB2      ASN  36  -1.745  -5.178   1.832
  255   2HB   ASN  36           HB1      ASN  36  -3.444  -5.064   1.374
  256   1HD2  ASN  36          HD22      ASN  36  -1.587  -8.688   1.352
  257   2HD2  ASN  36          HD21      ASN  36  -0.700  -7.262   1.585
  258    H    PHE  37           HN       PHE  37  -0.823  -2.942   0.659
  259    HA   PHE  37           HA       PHE  37  -2.836  -0.962   0.624
  260   1HB   PHE  37           HB2      PHE  37  -0.724  -0.556   1.741
  261   2HB   PHE  37           HB1      PHE  37   0.140  -0.599   0.361
  262    HD1  PHE  37           HD1      PHE  37  -3.090   1.048   1.010
  263    HD2  PHE  37           HD2      PHE  37   1.018   1.466  -0.077
  264    HE1  PHE  37           HE1      PHE  37  -3.475   3.470   0.515
  265    HE2  PHE  37           HE2      PHE  37   0.657   3.871  -0.575
  266    HZ   PHE  37           HZ       PHE  37  -1.595   4.865  -0.281
  267    H    CYS  38           HN       CYS  38  -0.224  -1.274  -1.681
  268    HA   CYS  38           HA       CYS  38  -1.121   0.617  -3.545
  269   1HB   CYS  38           HB2      CYS  38   1.070  -0.094  -3.908
  270   2HB   CYS  38           HB1      CYS  38   0.648  -1.799  -3.781
  271    H    ASN  39           HN       ASN  39  -1.718  -2.958  -3.666
  272    HA   ASN  39           HA       ASN  39  -3.180  -3.102  -5.984
  273   1HB   ASN  39           HB2      ASN  39  -4.080  -4.337  -3.364
  274   2HB   ASN  39           HB1      ASN  39  -4.397  -4.934  -4.987
  275   1HD2  ASN  39          HD22      ASN  39  -1.515  -6.908  -3.842
  276   2HD2  ASN  39          HD21      ASN  39  -3.171  -6.795  -3.501
  277    H    ALA  40           HN       ALA  40  -4.081  -1.511  -3.011
  278    HA   ALA  40           HA       ALA  40  -6.853  -1.041  -3.777
  279   1HB   ALA  40           HB3      ALA  40  -5.686  -0.959  -1.394
  280   2HB   ALA  40           HB2      ALA  40  -5.342   0.709  -1.851
  281   3HB   ALA  40           HB1      ALA  40  -7.011   0.147  -1.760
  282    H    VAL  41           HN       VAL  41  -3.869   0.877  -3.659
  283    HA   VAL  41           HA       VAL  41  -4.846   3.268  -4.830
  284    HB   VAL  41           HB       VAL  41  -2.110   1.975  -5.023
  285   1HG1  VAL  41          HG13      VAL  41  -2.642   3.775  -6.746
  286   2HG1  VAL  41          HG12      VAL  41  -2.803   4.897  -5.395
  287   3HG1  VAL  41          HG11      VAL  41  -1.258   4.103  -5.705
  288   1HG2  VAL  41          HG22      VAL  41  -3.284   4.027  -3.124
  289   2HG2  VAL  41          HG21      VAL  41  -2.788   2.383  -2.721
  290   3HG2  VAL  41          HG23      VAL  41  -1.577   3.580  -3.182
  291    H    VAL  42           HN       VAL  42  -2.933   0.739  -6.488
  292    HA   VAL  42           HA       VAL  42  -3.343   1.673  -9.084
  293    HB   VAL  42           HB       VAL  42  -1.615   0.079  -8.606
  294   1HG1  VAL  42          HG13      VAL  42  -3.864  -1.493  -7.451
  295   2HG1  VAL  42          HG12      VAL  42  -2.534  -2.384  -8.192
  296   3HG1  VAL  42          HG11      VAL  42  -2.216  -1.276  -6.859
  297   1HG2  VAL  42          HG22      VAL  42  -3.218  -0.065 -10.763
  298   2HG2  VAL  42          HG21      VAL  42  -1.807  -1.100 -10.543
  299   3HG2  VAL  42          HG23      VAL  42  -3.414  -1.702 -10.136
  300    H    GLU  43           HN       GLU  43  -5.564  -0.235  -7.084
  301    HA   GLU  43           HA       GLU  43  -7.206  -0.815  -9.481
  302   1HB   GLU  43           HB2      GLU  43  -6.836  -2.261  -7.189
  303   2HB   GLU  43           HB1      GLU  43  -8.331  -1.418  -6.819
  304   1HG   GLU  43           HG2      GLU  43  -8.869  -2.168  -9.348
  305   2HG   GLU  43           HG1      GLU  43  -7.782  -3.476  -8.882
  306    H    SER  44           HN       SER  44  -6.835   1.588  -7.120
  307    HA   SER  44           HA       SER  44  -9.632   2.528  -7.476
  308   1HB   SER  44           HB2      SER  44  -9.202   2.545  -5.185
  309   2HB   SER  44           HB1      SER  44  -7.513   2.994  -5.403
  310    HG   SER  44           HG       SER  44  -8.297   4.904  -4.916
  311    H    ASN  45           HN       ASN  45  -7.279   2.794  -9.417
  312    HA   ASN  45           HA       ASN  45  -6.533   4.365 -10.941
  313   1HB   ASN  45           HB2      ASN  45  -7.892   6.132 -11.515
  314   2HB   ASN  45           HB1      ASN  45  -9.065   5.069 -10.780
  315   1HD2  ASN  45          HD22      ASN  45  -9.968   7.547  -8.451
  316   2HD2  ASN  45          HD21      ASN  45 -10.408   6.178  -9.353
  317    H    GLY  46           HN       GLY  46  -5.953   4.496  -7.798
  318   1HA   GLY  46           HA2      GLY  46  -4.116   5.462  -6.698
  319   2HA   GLY  46           HA1      GLY  46  -3.807   6.442  -8.121
  320    H    THR  47           HN       THR  47  -7.054   6.699  -7.160
  321    HA   THR  47           HA       THR  47  -6.579   9.433  -6.210
  322    HB   THR  47           HB       THR  47  -8.594   8.688  -7.608
  323    HG1  THR  47           HG1      THR  47  -9.566  10.372  -6.806
  324   1HG2  THR  47          HG23      THR  47  -9.383   7.565  -4.909
  325   2HG2  THR  47          HG22      THR  47 -10.489   7.775  -6.267
  326   3HG2  THR  47          HG21      THR  47  -9.136   6.651  -6.396
  327    H    LEU  48           HN       LEU  48  -6.398   6.419  -4.825
  328    HA   LEU  48           HA       LEU  48  -7.551   6.993  -2.233
  329   1HB   LEU  48           HB2      LEU  48  -7.579   4.721  -2.823
  330   2HB   LEU  48           HB1      LEU  48  -5.964   4.786  -3.516
  331    HG   LEU  48           HG       LEU  48  -5.292   5.331  -0.995
  332   1HD1  LEU  48          HD11      LEU  48  -7.936   3.899  -0.846
  333   2HD1  LEU  48          HD13      LEU  48  -6.766   3.894   0.472
  334   3HD1  LEU  48          HD12      LEU  48  -7.484   5.413  -0.063
  335   1HD2  LEU  48          HD21      LEU  48  -5.192   3.129  -2.691
  336   2HD2  LEU  48          HD23      LEU  48  -4.339   3.286  -1.155
  337   3HD2  LEU  48          HD22      LEU  48  -5.910   2.487  -1.214
  338    H    THR  49           HN       THR  49  -4.280   5.874  -2.823
  339    HA   THR  49           HA       THR  49  -2.207   6.668  -2.101
  340    HB   THR  49           HB       THR  49  -1.864   8.932  -1.968
  341    HG1  THR  49           HG1      THR  49  -2.916  10.065  -0.565
  342   1HG2  THR  49          HG22      THR  49  -3.677   8.139  -3.855
  343   2HG2  THR  49          HG21      THR  49  -4.501   9.506  -3.103
  344   3HG2  THR  49          HG23      THR  49  -2.898   9.721  -3.805
  345    H    LEU  50           HN       LEU  50  -1.229   7.375   0.063
  346    HA   LEU  50           HA       LEU  50  -3.036   6.492   2.257
  347   1HB   LEU  50           HB2      LEU  50  -1.589   4.796   2.506
  348   2HB   LEU  50           HB1      LEU  50  -0.597   5.448   1.219
  349    HG   LEU  50           HG       LEU  50  -0.316   6.606   3.964
  350   1HD1  LEU  50          HD11      LEU  50   0.692   3.977   2.918
  351   2HD1  LEU  50          HD13      LEU  50   1.452   4.824   4.266
  352   3HD1  LEU  50          HD12      LEU  50  -0.221   4.276   4.398
  353   1HD2  LEU  50          HD22      LEU  50   0.815   7.274   1.622
  354   2HD2  LEU  50          HD21      LEU  50   1.727   7.334   3.130
  355   3HD2  LEU  50          HD23      LEU  50   1.889   5.945   2.054
  356    H    SER  51           HN       SER  51  -2.050   7.193   4.503
  357    HA   SER  51           HA       SER  51  -1.381  10.096   4.256
  358   1HB   SER  51           HB2      SER  51  -3.378   8.905   5.815
  359   2HB   SER  51           HB1      SER  51  -2.051   9.051   6.897
  360    HG   SER  51           HG       SER  51  -3.663  10.960   5.939
  361    H    HIS  52           HN       HIS  52  -0.542   7.042   5.770
  362    HA   HIS  52           HA       HIS  52   2.237   7.889   6.110
  363   1HB   HIS  52           HB2      HIS  52   2.258   7.605   8.548
  364   2HB   HIS  52           HB1      HIS  52   1.107   8.867   8.105
  365    HD1  HIS  52           HD1      HIS  52   1.223   6.343  10.440
  366    HD2  HIS  52           HD2      HIS  52  -1.562   7.116   7.417
  367    HE1  HIS  52           HE1      HIS  52  -0.908   5.130  11.075
  368    H    PHE  53           HN       PHE  53   3.518   6.058   7.049
  369    HA   PHE  53           HA       PHE  53   2.631   3.525   5.926
  370   1HB   PHE  53           HB2      PHE  53   5.077   4.385   7.484
  371   2HB   PHE  53           HB1      PHE  53   4.816   2.711   7.003
  372    HD1  PHE  53           HD2      PHE  53   4.612   6.142   5.503
  373    HD2  PHE  53           HD1      PHE  53   5.715   2.027   4.970
  374    HE1  PHE  53           HE2      PHE  53   5.446   6.662   3.229
  375    HE2  PHE  53           HE1      PHE  53   6.551   2.545   2.692
  376    HZ   PHE  53           HZ       PHE  53   6.415   4.863   1.822
  377    H    GLY  54           HN       GLY  54   3.530   1.662   7.830
  378   1HA   GLY  54           HA2      GLY  54   2.764   0.473   9.684
  379   2HA   GLY  54           HA1      GLY  54   2.518   2.006  10.456
  380    H    LYS  55           HN       LYS  55   0.597   0.770  11.314
  381    HA   LYS  55           HA       LYS  55  -1.664   0.628   9.405
  382   1HB   LYS  55           HB2      LYS  55  -2.107   0.142  12.307
  383   2HB   LYS  55           HB1      LYS  55  -2.699  -0.762  10.915
  384   1HG   LYS  55           HG2      LYS  55  -0.089  -1.322  10.664
  385   2HG   LYS  55           HG1      LYS  55  -0.132  -1.047  12.406
  386   1HD   LYS  55           HD2      LYS  55  -1.706  -3.070  10.802
  387   2HD   LYS  55           HD1      LYS  55  -0.579  -3.371  12.125
  388   1HE   LYS  55           HE2      LYS  55  -2.456  -1.655  13.252
  389   2HE   LYS  55           HE1      LYS  55  -3.427  -2.717  12.230
  390   1HZ   LYS  55           HZ3      LYS  55  -1.374  -4.062  13.749
  391   2HZ   LYS  55           HZ2      LYS  55  -2.577  -3.334  14.702
  392   3HZ   LYS  55           HZ1      LYS  55  -3.003  -4.477  13.519
  393    H    CYS  56           HN       CYS  56  -3.449   2.033   9.542
  394    HA   CYS  56           HA       CYS  56  -3.161   4.683  10.239
  395   1HB   CYS  56           HB2      CYS  56  -5.740   3.161  10.686
  396   2HB   CYS  56           HB1      CYS  56  -5.563   4.869  10.279
   
  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           HT1      LEU   1  13.578   9.575   1.507
    2   2H    LEU   1           HT3      LEU   1  14.277   9.510  -0.036
    3   3H    LEU   1           HT2      LEU   1  14.959  10.501   1.165
    4    HA   LEU   1           HA       LEU   1  13.822  12.068  -0.012
    5   1HB   LEU   1           HB2      LEU   1  11.722  11.619  -1.170
    6   2HB   LEU   1           HB1      LEU   1  12.892  10.368  -1.589
    7    HG   LEU   1           HG       LEU   1  11.127   9.893   0.778
    8   1HD1  LEU   1          HD13      LEU   1  10.149  10.405  -1.911
    9   2HD1  LEU   1          HD12      LEU   1   9.791   8.753  -1.408
   10   3HD1  LEU   1          HD11      LEU   1   9.237  10.113  -0.430
   11   1HD2  LEU   1          HD23      LEU   1  12.417   8.240  -1.406
   12   2HD2  LEU   1          HD22      LEU   1  12.765   8.213   0.323
   13   3HD2  LEU   1          HD21      LEU   1  11.242   7.562  -0.281
   14    H    ALA   2           HN       ALA   2  10.936  12.431   0.314
   15    HA   ALA   2           HA       ALA   2  10.437  12.134   3.200
   16   1HB   ALA   2           HB1      ALA   2  11.810  14.202   3.042
   17   2HB   ALA   2           HB3      ALA   2  10.626  14.880   1.925
   18   3HB   ALA   2           HB2      ALA   2  10.169  14.538   3.594
   19    H    ALA   3           HN       ALA   3   8.411  11.277   3.039
   20    HA   ALA   3           HA       ALA   3   6.129  12.738   2.416
   21   1HB   ALA   3           HB1      ALA   3   7.370  11.449   0.003
   22   2HB   ALA   3           HB3      ALA   3   5.614  11.557   0.122
   23   3HB   ALA   3           HB2      ALA   3   6.592  13.025   0.146
   24    H    VAL   4           HN       VAL   4   4.272  11.043   1.578
   25    HA   VAL   4           HA       VAL   4   4.810   8.417   2.888
   26    HB   VAL   4           HB       VAL   4   2.482   8.592   3.884
   27   1HG1  VAL   4          HG11      VAL   4   4.867   9.290   4.921
   28   2HG1  VAL   4          HG13      VAL   4   4.061  10.856   5.009
   29   3HG1  VAL   4          HG12      VAL   4   3.363   9.457   5.826
   30   1HG2  VAL   4          HG23      VAL   4   2.874  11.451   2.955
   31   2HG2  VAL   4          HG22      VAL   4   1.559  10.358   2.521
   32   3HG2  VAL   4          HG21      VAL   4   1.682  10.980   4.167
   33    H    SER   5           HN       SER   5   4.683   7.161   1.049
   34    HA   SER   5           HA       SER   5   2.253   6.343  -0.033
   35   1HB   SER   5           HB2      SER   5   3.069   8.934  -1.068
   36   2HB   SER   5           HB1      SER   5   2.950   7.744  -2.361
   37    HG   SER   5           HG       SER   5   0.874   7.233  -1.027
   38    H    VAL   6           HN       VAL   6   2.622   4.609  -1.424
   39    HA   VAL   6           HA       VAL   6   5.474   4.201  -2.223
   40    HB   VAL   6           HB       VAL   6   3.299   2.180  -1.607
   41   1HG1  VAL   6          HG11      VAL   6   6.177   1.796  -2.493
   42   2HG1  VAL   6          HG13      VAL   6   5.112   0.504  -1.937
   43   3HG1  VAL   6          HG12      VAL   6   4.739   1.377  -3.423
   44   1HG2  VAL   6          HG21      VAL   6   4.863   3.579   0.142
   45   2HG2  VAL   6          HG23      VAL   6   4.262   1.950   0.453
   46   3HG2  VAL   6          HG22      VAL   6   5.893   2.183  -0.179
   47    H    ASP   7           HN       ASP   7   5.911   3.592  -4.360
   48    HA   ASP   7           HA       ASP   7   3.993   4.361  -6.368
   49   1HB   ASP   7           HB2      ASP   7   6.451   4.490  -6.710
   50   2HB   ASP   7           HB1      ASP   7   6.531   2.729  -6.677
   51    H    CYS   8           HN       CYS   8   2.697   3.045  -7.696
   52    HA   CYS   8           HA       CYS   8   2.774   0.118  -7.189
   53   1HB   CYS   8           HB2      CYS   8   0.172   1.646  -7.276
   54   2HB   CYS   8           HB1      CYS   8   0.458   0.000  -6.721
   55    H    SER   9           HN       SER   9   3.867   0.816  -9.444
   56    HA   SER   9           HA       SER   9   1.833   1.123 -11.569
   57   1HB   SER   9           HB2      SER   9   3.762   2.416 -12.009
   58   2HB   SER   9           HB1      SER   9   4.849   1.125 -11.510
   59    HG   SER   9           HG       SER   9   4.774   1.242 -13.760
   60    H    GLU  10           HN       GLU  10   3.029  -1.409  -9.802
   61    HA   GLU  10           HA       GLU  10   2.585  -3.306 -12.067
   62   1HB   GLU  10           HB2      GLU  10   4.485  -3.734  -9.744
   63   2HB   GLU  10           HB1      GLU  10   4.291  -4.760 -11.163
   64   1HG   GLU  10           HG2      GLU  10   6.075  -3.559 -11.937
   65   2HG   GLU  10           HG1      GLU  10   4.824  -2.392 -12.370
   66    H    TYR  11           HN       TYR  11   0.540  -2.402 -10.316
   67    HA   TYR  11           HA       TYR  11   0.045  -4.835  -8.689
   68   1HB   TYR  11           HB2      TYR  11  -0.571  -1.918  -8.181
   69   2HB   TYR  11           HB1      TYR  11  -1.379  -3.203  -7.290
   70    HD1  TYR  11           HD1      TYR  11  -0.009  -4.832  -5.925
   71    HD2  TYR  11           HD2      TYR  11   1.698  -1.333  -7.740
   72    HE1  TYR  11           HE1      TYR  11   1.979  -5.036  -4.448
   73    HE2  TYR  11           HE2      TYR  11   3.682  -1.536  -6.267
   74    HH   TYR  11           HH       TYR  11   4.287  -2.532  -4.127
   75    HA   PRO  12           HA       PRO  12  -1.877  -4.930  -7.311
   76   1HB   PRO  12           HB2      PRO  12  -3.508  -7.146  -7.269
   77   2HB   PRO  12           HB1      PRO  12  -4.096  -5.496  -6.997
   78   1HG   PRO  12           HG2      PRO  12  -4.377  -7.217  -9.424
   79   2HG   PRO  12           HG1      PRO  12  -5.436  -5.922  -8.839
   80   1HD   PRO  12           HD2      PRO  12  -3.555  -5.676 -10.926
   81   2HD   PRO  12           HD1      PRO  12  -4.357  -4.356 -10.110
   82    H    LYS  13           HN       LYS  13  -1.374  -7.249  -6.344
   83    HA   LYS  13           HA       LYS  13   0.325  -8.733  -8.308
   84   1HB   LYS  13           HB2      LYS  13   1.122  -7.326  -5.975
   85   2HB   LYS  13           HB1      LYS  13   1.247  -9.042  -5.593
   86   1HG   LYS  13           HG2      LYS  13   2.538  -9.367  -7.718
   87   2HG   LYS  13           HG1      LYS  13   2.505  -7.620  -7.957
   88   1HD   LYS  13           HD2      LYS  13   3.729  -7.259  -5.892
   89   2HD   LYS  13           HD1      LYS  13   3.646  -8.976  -5.499
   90   1HE   LYS  13           HE2      LYS  13   5.839  -8.502  -6.436
   91   2HE   LYS  13           HE1      LYS  13   4.925  -9.465  -7.598
   92   1HZ   LYS  13           HZ2      LYS  13   4.883  -6.518  -7.708
   93   2HZ   LYS  13           HZ1      LYS  13   6.149  -7.393  -8.427
   94   3HZ   LYS  13           HZ3      LYS  13   4.551  -7.636  -8.943
   95    HA   PRO  14           HA       PRO  14  -2.125 -12.162  -6.980
   96   1HB   PRO  14           HB2      PRO  14  -0.563 -14.146  -8.067
   97   2HB   PRO  14           HB1      PRO  14  -1.649 -13.116  -9.017
   98   1HG   PRO  14           HG2      PRO  14   1.325 -13.013  -8.797
   99   2HG   PRO  14           HG1      PRO  14   0.283 -12.522 -10.141
  100   1HD   PRO  14           HD2      PRO  14   1.503 -10.780  -8.316
  101   2HD   PRO  14           HD1      PRO  14   0.159 -10.367  -9.367
  102    H    ALA  15           HN       ALA  15   0.474 -11.200  -5.407
  103    HA   ALA  15           HA       ALA  15   0.242 -12.873  -3.180
  104   1HB   ALA  15           HB1      ALA  15   1.464 -14.277  -5.288
  105   2HB   ALA  15           HB3      ALA  15   2.784 -13.830  -4.208
  106   3HB   ALA  15           HB2      ALA  15   1.415 -14.755  -3.591
  107    H    CYS  16           HN       CYS  16   1.601 -12.138  -1.511
  108    HA   CYS  16           HA       CYS  16   3.639 -10.104  -2.327
  109   1HB   CYS  16           HB2      CYS  16   1.546  -9.122  -1.289
  110   2HB   CYS  16           HB1      CYS  16   1.952  -9.989   0.191
  111    H    THR  17           HN       THR  17   5.410  -9.838  -0.752
  112    HA   THR  17           HA       THR  17   6.515 -12.316   0.130
  113    HB   THR  17           HB       THR  17   8.116 -10.875   1.409
  114    HG1  THR  17           HG1      THR  17   7.464  -8.501   0.647
  115   1HG2  THR  17          HG23      THR  17   7.982 -11.193  -1.241
  116   2HG2  THR  17          HG22      THR  17   7.732  -9.448  -1.179
  117   3HG2  THR  17          HG21      THR  17   9.193 -10.154  -0.490
  118    H    LEU  18           HN       LEU  18   7.273 -11.670   2.867
  119    HA   LEU  18           HA       LEU  18   4.583 -11.825   4.159
  120   1HB   LEU  18           HB2      LEU  18   5.616 -13.361   5.839
  121   2HB   LEU  18           HB1      LEU  18   5.630 -14.035   4.210
  122    HG   LEU  18           HG       LEU  18   8.000 -12.416   4.973
  123   1HD1  LEU  18          HD12      LEU  18   7.062 -14.372   6.765
  124   2HD1  LEU  18          HD11      LEU  18   8.349 -15.157   5.852
  125   3HD1  LEU  18          HD13      LEU  18   8.677 -13.663   6.727
  126   1HD2  LEU  18          HD22      LEU  18   7.255 -14.177   2.938
  127   2HD2  LEU  18          HD21      LEU  18   8.883 -13.569   3.239
  128   3HD2  LEU  18          HD23      LEU  18   8.378 -15.113   3.924
  129    H    GLU  19           HN       GLU  19   7.548 -10.159   3.996
  130    HA   GLU  19           HA       GLU  19   7.930  -9.354   6.678
  131   1HB   GLU  19           HB2      GLU  19   9.095  -7.426   5.768
  132   2HB   GLU  19           HB1      GLU  19   9.470  -8.824   4.762
  133   1HG   GLU  19           HG2      GLU  19   7.128  -7.741   3.656
  134   2HG   GLU  19           HG1      GLU  19   8.142  -6.359   4.041
  135    H    TYR  20           HN       TYR  20   6.600  -8.248   7.963
  136    HA   TYR  20           HA       TYR  20   4.110  -7.178   6.857
  137   1HB   TYR  20           HB2      TYR  20   4.241  -8.520   8.978
  138   2HB   TYR  20           HB1      TYR  20   4.992  -7.123   9.743
  139    HD1  TYR  20           HD2      TYR  20   2.128  -7.601   7.336
  140    HD2  TYR  20           HD1      TYR  20   3.489  -5.952  11.069
  141    HE1  TYR  20           HE2      TYR  20  -0.106  -6.615   7.716
  142    HE2  TYR  20           HE1      TYR  20   1.247  -4.963  11.445
  143    HH   TYR  20           HH       TYR  20  -1.354  -5.341   9.032
  144    H    ARG  21           HN       ARG  21   3.609  -5.161   6.551
  145    HA   ARG  21           HA       ARG  21   4.836  -2.915   7.947
  146   1HB   ARG  21           HB2      ARG  21   5.117  -2.453   5.063
  147   2HB   ARG  21           HB1      ARG  21   6.262  -2.125   6.361
  148   1HG   ARG  21           HG2      ARG  21   7.028  -4.428   6.344
  149   2HG   ARG  21           HG1      ARG  21   5.777  -4.877   5.184
  150   1HD   ARG  21           HD2      ARG  21   7.950  -4.541   4.056
  151   2HD   ARG  21           HD1      ARG  21   6.770  -3.350   3.518
  152    HE   ARG  21           HE       ARG  21   8.189  -1.701   4.402
  153   1HH1  ARG  21          HH21      ARG  21   9.158  -4.808   5.443
  154   2HH1  ARG  21          HH22      ARG  21  10.238  -4.223   6.664
  155   1HH2  ARG  21          HH11      ARG  21   9.379  -0.895   6.210
  156   2HH2  ARG  21          HH12      ARG  21  10.364  -2.009   7.097
  157    HA   PRO  22           HA       PRO  22   0.459  -2.666   6.583
  158   1HB   PRO  22           HB2      PRO  22  -0.359  -1.408   8.912
  159   2HB   PRO  22           HB1      PRO  22  -0.323  -3.172   8.672
  160   1HG   PRO  22           HG2      PRO  22   1.606  -1.424  10.159
  161   2HG   PRO  22           HG1      PRO  22   1.128  -3.101  10.486
  162   1HD   PRO  22           HD2      PRO  22   3.523  -2.388   9.277
  163   2HD   PRO  22           HD1      PRO  22   2.735  -3.969   9.065
  164    H    LEU  23           HN       LEU  23  -0.030  -1.018   5.192
  165    HA   LEU  23           HA       LEU  23   0.961   1.700   5.944
  166   1HB   LEU  23           HB2      LEU  23  -0.053   0.865   3.226
  167   2HB   LEU  23           HB1      LEU  23   0.995   2.222   3.634
  168    HG   LEU  23           HG       LEU  23   1.958  -0.512   4.343
  169   1HD1  LEU  23          HD13      LEU  23   1.402   0.456   1.603
  170   2HD1  LEU  23          HD12      LEU  23   2.986  -0.267   1.863
  171   3HD1  LEU  23          HD11      LEU  23   1.525  -1.195   2.210
  172   1HD2  LEU  23          HD22      LEU  23   2.987   2.186   3.977
  173   2HD2  LEU  23          HD21      LEU  23   3.729   0.812   4.796
  174   3HD2  LEU  23          HD23      LEU  23   3.921   1.010   3.053
  175    H    CYS  24           HN       CYS  24  -0.537   3.196   6.504
  176    HA   CYS  24           HA       CYS  24  -3.388   2.509   6.519
  177   1HB   CYS  24           HB2      CYS  24  -2.805   3.823   8.385
  178   2HB   CYS  24           HB1      CYS  24  -1.681   4.777   7.452
  179    H    GLY  25           HN       GLY  25  -4.224   2.514   4.401
  180   1HA   GLY  25           HA2      GLY  25  -3.333   4.143   2.315
  181   2HA   GLY  25           HA1      GLY  25  -4.923   3.509   2.381
  182    H    SER  26           HN       SER  26  -5.359   5.741   1.332
  183    HA   SER  26           HA       SER  26  -5.280   8.052   3.110
  184   1HB   SER  26           HB2      SER  26  -5.281   8.651   0.832
  185   2HB   SER  26           HB1      SER  26  -6.545   7.492   0.430
  186    HG   SER  26           HG       SER  26  -6.748   9.952   1.811
  187    H    ASP  27           HN       ASP  27  -7.840   5.834   1.998
  188    HA   ASP  27           HA       ASP  27 -10.025   7.035   3.323
  189   1HB   ASP  27           HB2      ASP  27 -10.779   4.496   3.532
  190   2HB   ASP  27           HB1      ASP  27 -10.710   5.290   1.959
  191    H    ASN  28           HN       ASN  28  -7.262   5.504   4.639
  192    HA   ASN  28           HA       ASN  28  -6.616   5.584   6.911
  193   1HB   ASN  28           HB2      ASN  28  -7.982   6.423   8.529
  194   2HB   ASN  28           HB1      ASN  28  -8.932   6.973   7.157
  195   1HD2  ASN  28          HD22      ASN  28 -10.994   4.926   9.666
  196   2HD2  ASN  28          HD21      ASN  28  -9.850   6.153   9.927
  197    H    LYS  29           HN       LYS  29  -7.664   3.347   5.085
  198    HA   LYS  29           HA       LYS  29  -8.251   1.322   7.168
  199   1HB   LYS  29           HB2      LYS  29  -9.752   1.135   5.343
  200   2HB   LYS  29           HB1      LYS  29  -8.469   1.314   4.151
  201   1HG   LYS  29           HG2      LYS  29  -8.039  -0.887   4.178
  202   2HG   LYS  29           HG1      LYS  29  -7.919  -0.895   5.937
  203   1HD   LYS  29           HD2      LYS  29  -9.757  -2.367   5.093
  204   2HD   LYS  29           HD1      LYS  29 -10.341  -1.080   6.149
  205   1HE   LYS  29           HE2      LYS  29 -10.903   0.279   4.145
  206   2HE   LYS  29           HE1      LYS  29 -10.386  -1.056   3.115
  207   1HZ   LYS  29           HZ3      LYS  29 -12.044  -2.438   4.395
  208   2HZ   LYS  29           HZ2      LYS  29 -12.662  -0.977   5.004
  209   3HZ   LYS  29           HZ1      LYS  29 -12.691  -1.285   3.333
  210    H    THR  30           HN       THR  30  -6.651   0.019   7.829
  211    HA   THR  30           HA       THR  30  -3.947   0.397   6.895
  212    HB   THR  30           HB       THR  30  -5.216  -1.670   8.714
  213    HG1  THR  30           HG1      THR  30  -4.738  -0.268  10.193
  214   1HG2  THR  30          HG22      THR  30  -2.312  -1.273   7.946
  215   2HG2  THR  30          HG21      THR  30  -2.835  -2.200   9.353
  216   3HG2  THR  30          HG23      THR  30  -3.281  -2.732   7.733
  217    H    TYR  31           HN       TYR  31  -2.609  -1.162   5.798
  218    HA   TYR  31           HA       TYR  31  -4.098  -3.290   4.338
  219   1HB   TYR  31           HB2      TYR  31  -2.328  -1.134   3.213
  220   2HB   TYR  31           HB1      TYR  31  -2.226  -2.736   2.531
  221    HD1  TYR  31           HD2      TYR  31  -4.587  -3.921   2.084
  222    HD2  TYR  31           HD1      TYR  31  -3.958   0.318   2.404
  223    HE1  TYR  31           HE2      TYR  31  -6.713  -3.515   0.873
  224    HE2  TYR  31           HE1      TYR  31  -6.087   0.724   1.198
  225    HH   TYR  31           HH       TYR  31  -7.531  -1.020  -0.638
  226    H    GLY  32           HN       GLY  32  -3.222  -5.241   4.723
  227   1HA   GLY  32           HA2      GLY  32  -1.484  -6.002   6.564
  228   2HA   GLY  32           HA1      GLY  32  -1.461  -6.855   5.040
  229    H    ASN  33           HN       ASN  33  -0.234  -5.046   3.333
  230    HA   ASN  33           HA       ASN  33   2.061  -3.885   4.614
  231   1HB   ASN  33           HB2      ASN  33   3.791  -5.358   3.647
  232   2HB   ASN  33           HB1      ASN  33   2.766  -6.203   4.792
  233   1HD2  ASN  33          HD22      ASN  33   2.809  -8.613   2.126
  234   2HD2  ASN  33          HD21      ASN  33   3.646  -8.139   3.523
  235    H    LYS  34           HN       LYS  34   3.824  -4.020   2.382
  236    HA   LYS  34           HA       LYS  34   2.922  -1.824   0.916
  237   1HB   LYS  34           HB2      LYS  34   4.804  -2.196  -0.548
  238   2HB   LYS  34           HB1      LYS  34   5.292  -2.674   1.078
  239   1HG   LYS  34           HG2      LYS  34   4.617  -5.050   0.477
  240   2HG   LYS  34           HG1      LYS  34   4.440  -4.492  -1.188
  241   1HD   LYS  34           HD2      LYS  34   6.977  -3.684   0.061
  242   2HD   LYS  34           HD1      LYS  34   6.786  -5.430  -0.096
  243   1HE   LYS  34           HE2      LYS  34   7.696  -4.898  -2.172
  244   2HE   LYS  34           HE1      LYS  34   5.971  -4.819  -2.530
  245   1HZ   LYS  34           HZ3      LYS  34   7.658  -2.497  -1.766
  246   2HZ   LYS  34           HZ2      LYS  34   7.186  -2.878  -3.354
  247   3HZ   LYS  34           HZ1      LYS  34   6.018  -2.447  -2.198
  248    H    CYS  35           HN       CYS  35   2.760  -5.259  -0.124
  249    HA   CYS  35           HA       CYS  35   1.653  -4.612  -2.665
  250   1HB   CYS  35           HB2      CYS  35   1.099  -7.169  -1.176
  251   2HB   CYS  35           HB1      CYS  35   1.281  -6.919  -2.906
  252    H    ASN  36           HN       ASN  36   0.015  -5.758   0.328
  253    HA   ASN  36           HA       ASN  36  -2.610  -5.594  -0.703
  254   1HB   ASN  36           HB2      ASN  36  -1.590  -5.180   2.108
  255   2HB   ASN  36           HB1      ASN  36  -3.306  -5.238   1.705
  256   1HD2  ASN  36          HD22      ASN  36  -1.067  -8.661   1.518
  257   2HD2  ASN  36          HD21      ASN  36  -0.313  -7.148   1.647
  258    H    PHE  37           HN       PHE  37  -0.445  -3.010   0.226
  259    HA   PHE  37           HA       PHE  37  -2.589  -1.012   0.464
  260   1HB   PHE  37           HB2      PHE  37  -0.499  -0.689   1.678
  261   2HB   PHE  37           HB1      PHE  37   0.408  -0.685   0.319
  262    HD1  PHE  37           HD1      PHE  37  -2.815   0.986   1.011
  263    HD2  PHE  37           HD2      PHE  37   1.285   1.333  -0.117
  264    HE1  PHE  37           HE1      PHE  37  -3.145   3.426   0.579
  265    HE2  PHE  37           HE2      PHE  37   0.981   3.765  -0.540
  266    HZ   PHE  37           HZ       PHE  37  -1.245   4.805  -0.191
  267    H    CYS  38           HN       CYS  38   0.079  -1.545  -1.690
  268    HA   CYS  38           HA       CYS  38  -0.490   0.395  -3.633
  269   1HB   CYS  38           HB2      CYS  38   1.133  -2.062  -3.517
  270   2HB   CYS  38           HB1      CYS  38   0.621  -1.586  -5.132
  271    H    ASN  39           HN       ASN  39  -1.810  -2.896  -3.329
  272    HA   ASN  39           HA       ASN  39  -3.047  -3.030  -5.866
  273   1HB   ASN  39           HB2      ASN  39  -4.296  -4.056  -3.305
  274   2HB   ASN  39           HB1      ASN  39  -4.413  -4.733  -4.922
  275   1HD2  ASN  39          HD22      ASN  39  -1.879  -6.748  -3.079
  276   2HD2  ASN  39          HD21      ASN  39  -3.538  -6.440  -2.895
  277    H    ALA  40           HN       ALA  40  -3.986  -1.455  -2.853
  278    HA   ALA  40           HA       ALA  40  -6.625  -0.649  -3.718
  279   1HB   ALA  40           HB2      ALA  40  -5.850  -0.713  -1.321
  280   2HB   ALA  40           HB1      ALA  40  -4.799   0.658  -1.663
  281   3HB   ALA  40           HB3      ALA  40  -6.550   0.842  -1.772
  282    H    VAL  41           HN       VAL  41  -3.392   0.608  -4.110
  283    HA   VAL  41           HA       VAL  41  -4.202   3.247  -5.022
  284    HB   VAL  41           HB       VAL  41  -1.649   1.659  -5.418
  285   1HG1  VAL  41          HG13      VAL  41  -2.445   3.799  -6.938
  286   2HG1  VAL  41          HG12      VAL  41  -1.588   4.603  -5.623
  287   3HG1  VAL  41          HG11      VAL  41  -0.764   3.388  -6.602
  288   1HG2  VAL  41          HG21      VAL  41  -2.587   3.730  -3.430
  289   2HG2  VAL  41          HG23      VAL  41  -1.915   2.131  -3.110
  290   3HG2  VAL  41          HG22      VAL  41  -0.871   3.422  -3.703
  291    H    VAL  42           HN       VAL  42  -2.747   0.523  -6.818
  292    HA   VAL  42           HA       VAL  42  -3.328   1.475  -9.391
  293    HB   VAL  42           HB       VAL  42  -1.696  -0.260  -9.000
  294   1HG1  VAL  42          HG12      VAL  42  -3.988  -1.561  -7.633
  295   2HG1  VAL  42          HG11      VAL  42  -2.874  -2.622  -8.493
  296   3HG1  VAL  42          HG13      VAL  42  -2.275  -1.564  -7.217
  297   1HG2  VAL  42          HG21      VAL  42  -3.526  -0.290 -11.020
  298   2HG2  VAL  42          HG23      VAL  42  -2.121  -1.351 -10.940
  299   3HG2  VAL  42          HG22      VAL  42  -3.693  -1.926 -10.382
  300    H    GLU  43           HN       GLU  43  -5.528   0.153  -7.069
  301    HA   GLU  43           HA       GLU  43  -7.428  -0.700  -9.164
  302   1HB   GLU  43           HB2      GLU  43  -8.882  -1.217  -7.177
  303   2HB   GLU  43           HB1      GLU  43  -7.420  -2.155  -7.212
  304   1HG   GLU  43           HG2      GLU  43  -7.345  -1.468  -5.068
  305   2HG   GLU  43           HG1      GLU  43  -6.631  -0.032  -5.783
  306    H    SER  44           HN       SER  44  -6.834   1.872  -6.888
  307    HA   SER  44           HA       SER  44  -9.429   3.151  -7.497
  308   1HB   SER  44           HB2      SER  44  -8.829   3.323  -5.201
  309   2HB   SER  44           HB1      SER  44  -7.179   3.797  -5.590
  310    HG   SER  44           HG       SER  44  -9.052   5.418  -5.039
  311    H    ASN  45           HN       ASN  45  -7.086   2.893  -9.473
  312    HA   ASN  45           HA       ASN  45  -6.222   4.204 -11.185
  313   1HB   ASN  45           HB2      ASN  45  -8.443   5.920 -10.128
  314   2HB   ASN  45           HB1      ASN  45  -7.255   6.626 -11.206
  315   1HD2  ASN  45          HD22      ASN  45  -9.973   4.012 -12.699
  316   2HD2  ASN  45          HD21      ASN  45  -9.926   4.367 -11.040
  317    H    GLY  46           HN       GLY  46  -5.525   4.514  -8.091
  318   1HA   GLY  46           HA2      GLY  46  -3.545   5.370  -7.136
  319   2HA   GLY  46           HA1      GLY  46  -3.258   6.301  -8.599
  320    H    THR  47           HN       THR  47  -6.403   6.552  -7.231
  321    HA   THR  47           HA       THR  47  -5.789   9.337  -6.398
  322    HB   THR  47           HB       THR  47  -8.103   9.781  -6.599
  323    HG1  THR  47           HG1      THR  47  -9.541   8.358  -6.057
  324   1HG2  THR  47          HG21      THR  47  -6.859   8.137  -8.667
  325   2HG2  THR  47          HG23      THR  47  -8.618   8.022  -8.693
  326   3HG2  THR  47          HG22      THR  47  -7.833   9.596  -8.830
  327    H    LEU  48           HN       LEU  48  -5.604   6.431  -4.988
  328    HA   LEU  48           HA       LEU  48  -7.099   6.867  -2.548
  329   1HB   LEU  48           HB2      LEU  48  -6.812   4.612  -3.142
  330   2HB   LEU  48           HB1      LEU  48  -5.133   4.855  -3.607
  331    HG   LEU  48           HG       LEU  48  -4.800   5.416  -1.064
  332   1HD1  LEU  48          HD12      LEU  48  -7.405   3.902  -1.143
  333   2HD1  LEU  48          HD11      LEU  48  -6.385   3.993   0.293
  334   3HD1  LEU  48          HD13      LEU  48  -7.090   5.462  -0.381
  335   1HD2  LEU  48          HD22      LEU  48  -5.134   2.766  -2.419
  336   2HD2  LEU  48          HD21      LEU  48  -3.659   3.547  -1.848
  337   3HD2  LEU  48          HD23      LEU  48  -4.769   2.809  -0.693
  338    H    THR  49           HN       THR  49  -3.680   6.134  -2.788
  339    HA   THR  49           HA       THR  49  -1.800   7.072  -1.792
  340    HB   THR  49           HB       THR  49  -1.668   9.359  -1.562
  341    HG1  THR  49           HG1      THR  49  -3.214   9.576   0.061
  342   1HG2  THR  49          HG22      THR  49  -2.743   8.492  -3.786
  343   2HG2  THR  49          HG21      THR  49  -4.141   9.406  -3.217
  344   3HG2  THR  49          HG23      THR  49  -2.601  10.224  -3.479
  345    H    LEU  50           HN       LEU  50  -1.038   7.362   0.362
  346    HA   LEU  50           HA       LEU  50  -3.087   6.589   2.366
  347   1HB   LEU  50           HB2      LEU  50  -1.698   4.922   2.916
  348   2HB   LEU  50           HB1      LEU  50  -0.731   5.379   1.537
  349    HG   LEU  50           HG       LEU  50  -0.216   6.863   4.072
  350   1HD1  LEU  50          HD12      LEU  50   0.455   3.987   3.521
  351   2HD1  LEU  50          HD11      LEU  50   1.284   4.968   4.730
  352   3HD1  LEU  50          HD13      LEU  50  -0.440   4.635   4.895
  353   1HD2  LEU  50          HD22      LEU  50   0.972   7.204   1.829
  354   2HD2  LEU  50          HD21      LEU  50   2.023   6.871   3.206
  355   3HD2  LEU  50          HD23      LEU  50   1.647   5.589   2.054
  356    H    SER  51           HN       SER  51  -2.125   7.124   4.748
  357    HA   SER  51           HA       SER  51  -1.554  10.057   4.691
  358   1HB   SER  51           HB2      SER  51  -3.614   8.731   6.043
  359   2HB   SER  51           HB1      SER  51  -2.372   8.863   7.224
  360    HG   SER  51           HG       SER  51  -3.855  10.831   5.997
  361    H    HIS  52           HN       HIS  52  -0.660   6.927   5.984
  362    HA   HIS  52           HA       HIS  52   2.052   7.778   6.533
  363   1HB   HIS  52           HB2      HIS  52   2.000   7.542   8.957
  364   2HB   HIS  52           HB1      HIS  52   0.824   8.762   8.478
  365    HD1  HIS  52           HD1      HIS  52   0.922   6.368  10.897
  366    HD2  HIS  52           HD2      HIS  52  -1.737   6.816   7.697
  367    HE1  HIS  52           HE1      HIS  52  -1.164   5.059  11.495
  368    H    PHE  53           HN       PHE  53   3.335   5.967   7.338
  369    HA   PHE  53           HA       PHE  53   2.438   3.418   6.298
  370   1HB   PHE  53           HB2      PHE  53   4.857   4.269   7.903
  371   2HB   PHE  53           HB1      PHE  53   4.577   2.588   7.453
  372    HD1  PHE  53           HD2      PHE  53   4.732   6.024   5.978
  373    HD2  PHE  53           HD1      PHE  53   5.269   1.808   5.347
  374    HE1  PHE  53           HE2      PHE  53   5.637   6.479   3.717
  375    HE2  PHE  53           HE1      PHE  53   6.175   2.263   3.083
  376    HZ   PHE  53           HZ       PHE  53   6.358   4.599   2.268
  377    H    GLY  54           HN       GLY  54   3.173   1.527   8.138
  378   1HA   GLY  54           HA2      GLY  54   2.417   0.378  10.027
  379   2HA   GLY  54           HA1      GLY  54   2.191   1.927  10.783
  380    H    LYS  55           HN       LYS  55   0.254   0.703  11.652
  381    HA   LYS  55           HA       LYS  55  -1.998   0.545   9.739
  382   1HB   LYS  55           HB2      LYS  55  -2.898   0.129  12.422
  383   2HB   LYS  55           HB1      LYS  55  -2.769  -1.053  11.125
  384   1HG   LYS  55           HG2      LYS  55  -0.397  -1.434  11.717
  385   2HG   LYS  55           HG1      LYS  55  -0.545  -0.264  13.028
  386   1HD   LYS  55           HD2      LYS  55  -1.315  -1.890  14.372
  387   2HD   LYS  55           HD1      LYS  55  -2.702  -2.095  13.300
  388   1HE   LYS  55           HE2      LYS  55  -0.316  -3.302  12.166
  389   2HE   LYS  55           HE1      LYS  55  -0.664  -3.962  13.764
  390   1HZ   LYS  55           HZ2      LYS  55  -2.684  -3.700  11.606
  391   2HZ   LYS  55           HZ1      LYS  55  -1.806  -5.122  11.910
  392   3HZ   LYS  55           HZ3      LYS  55  -2.864  -4.511  13.088
  393    H    CYS  56           HN       CYS  56  -3.697   1.982   9.706
  394    HA   CYS  56           HA       CYS  56  -3.283   4.598  10.858
  395   1HB   CYS  56           HB2      CYS  56  -4.913   3.478   8.854
  396   2HB   CYS  56           HB1      CYS  56  -6.027   4.121  10.061
   
  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           HT3      LEU   1  11.810  13.201   5.904
    2   2H    LEU   1           HT2      LEU   1  11.007  11.961   6.744
    3   3H    LEU   1           HT1      LEU   1  11.087  11.928   5.048
    4    HA   LEU   1           HA       LEU   1   8.899  12.631   5.739
    5   1HB   LEU   1           HB2      LEU   1  10.405  13.971   7.737
    6   2HB   LEU   1           HB1      LEU   1   9.601  15.220   6.787
    7    HG   LEU   1           HG       LEU   1   7.586  13.399   7.045
    8   1HD1  LEU   1          HD11      LEU   1   9.310  12.209   8.650
    9   2HD1  LEU   1          HD13      LEU   1   8.788  13.442   9.797
   10   3HD1  LEU   1          HD12      LEU   1   7.612  12.321   9.110
   11   1HD2  LEU   1          HD21      LEU   1   8.031  15.990   7.752
   12   2HD2  LEU   1          HD23      LEU   1   6.568  15.105   8.182
   13   3HD2  LEU   1          HD22      LEU   1   7.886  15.250   9.345
   14    H    ALA   2           HN       ALA   2   9.228  12.718   3.377
   15    HA   ALA   2           HA       ALA   2   9.007  15.454   2.384
   16   1HB   ALA   2           HB1      ALA   2  11.388  13.743   1.615
   17   2HB   ALA   2           HB3      ALA   2  10.896  15.198   0.749
   18   3HB   ALA   2           HB2      ALA   2  11.431  15.309   2.426
   19    H    ALA   3           HN       ALA   3  10.024  12.337   0.945
   20    HA   ALA   3           HA       ALA   3   7.782  12.596  -0.985
   21   1HB   ALA   3           HB3      ALA   3  10.414  11.222  -0.951
   22   2HB   ALA   3           HB2      ALA   3   9.113  10.379  -1.793
   23   3HB   ALA   3           HB1      ALA   3   9.573  12.008  -2.286
   24    H    VAL   4           HN       VAL   4   5.931  11.793  -0.034
   25    HA   VAL   4           HA       VAL   4   6.138   9.184   1.399
   26    HB   VAL   4           HB       VAL   4   3.820  11.139   1.357
   27   1HG1  VAL   4          HG13      VAL   4   3.400   8.692   1.918
   28   2HG1  VAL   4          HG12      VAL   4   4.455   8.916   3.314
   29   3HG1  VAL   4          HG11      VAL   4   2.958   9.839   3.183
   30   1HG2  VAL   4          HG22      VAL   4   6.184  10.827   3.216
   31   2HG2  VAL   4          HG21      VAL   4   5.607  12.294   2.425
   32   3HG2  VAL   4          HG23      VAL   4   4.680  11.580   3.744
   33    H    SER   5           HN       SER   5   6.129   7.791  -0.417
   34    HA   SER   5           HA       SER   5   3.503   7.250  -1.545
   35   1HB   SER   5           HB2      SER   5   3.740   8.032  -3.686
   36   2HB   SER   5           HB1      SER   5   4.827   9.182  -2.912
   37    HG   SER   5           HG       SER   5   5.591   7.851  -4.808
   38    H    VAL   6           HN       VAL   6   3.465   5.052  -1.580
   39    HA   VAL   6           HA       VAL   6   5.994   3.560  -1.610
   40    HB   VAL   6           HB       VAL   6   3.097   2.809  -1.238
   41   1HG1  VAL   6          HG13      VAL   6   5.449   0.988  -1.793
   42   2HG1  VAL   6          HG12      VAL   6   4.028   0.434  -0.907
   43   3HG1  VAL   6          HG11      VAL   6   3.867   0.990  -2.573
   44   1HG2  VAL   6          HG22      VAL   6   5.489   3.196   0.412
   45   2HG2  VAL   6          HG21      VAL   6   3.791   3.182   0.887
   46   3HG2  VAL   6          HG23      VAL   6   4.676   1.665   0.733
   47    H    ASP   7           HN       ASP   7   6.514   1.965  -3.249
   48    HA   ASP   7           HA       ASP   7   5.981   2.759  -5.936
   49   1HB   ASP   7           HB2      ASP   7   7.938   1.390  -5.334
   50   2HB   ASP   7           HB1      ASP   7   6.878   0.057  -4.876
   51    H    CYS   8           HN       CYS   8   4.535   1.853  -7.504
   52    HA   CYS   8           HA       CYS   8   2.660  -0.234  -6.671
   53   1HB   CYS   8           HB2      CYS   8   1.832   1.995  -5.705
   54   2HB   CYS   8           HB1      CYS   8   1.521   2.478  -7.367
   55    H    SER   9           HN       SER   9   4.609   0.482  -8.881
   56    HA   SER   9           HA       SER   9   2.822   0.633 -11.233
   57   1HB   SER   9           HB2      SER   9   5.697   1.021 -10.711
   58   2HB   SER   9           HB1      SER   9   5.343   0.198 -12.227
   59    HG   SER   9           HG       SER   9   4.824   2.793 -11.427
   60    H    GLU  10           HN       GLU  10   3.776  -1.768  -9.183
   61    HA   GLU  10           HA       GLU  10   3.740  -3.798 -11.380
   62   1HB   GLU  10           HB2      GLU  10   5.273  -3.744  -8.778
   63   2HB   GLU  10           HB1      GLU  10   4.999  -5.243  -9.666
   64   1HG   GLU  10           HG2      GLU  10   7.166  -4.234 -10.283
   65   2HG   GLU  10           HG1      GLU  10   6.065  -4.262 -11.661
   66    H    TYR  11           HN       TYR  11   1.336  -2.839 -10.218
   67    HA   TYR  11           HA       TYR  11   0.439  -5.286  -8.860
   68   1HB   TYR  11           HB2      TYR  11   0.074  -2.440  -7.927
   69   2HB   TYR  11           HB1      TYR  11  -0.953  -3.751  -7.350
   70    HD1  TYR  11           HD1      TYR  11  -0.007  -5.623  -6.041
   71    HD2  TYR  11           HD2      TYR  11   2.429  -2.309  -7.284
   72    HE1  TYR  11           HE1      TYR  11   1.773  -6.329  -4.466
   73    HE2  TYR  11           HE2      TYR  11   4.204  -3.022  -5.709
   74    HH   TYR  11           HH       TYR  11   4.331  -6.023  -4.321
   75    HA   PRO  12           HA       PRO  12  -1.748  -5.362  -7.767
   76   1HB   PRO  12           HB2      PRO  12  -3.410  -7.464  -8.412
   77   2HB   PRO  12           HB1      PRO  12  -4.001  -5.853  -7.965
   78   1HG   PRO  12           HG2      PRO  12  -3.798  -7.094 -10.690
   79   2HG   PRO  12           HG1      PRO  12  -4.990  -5.937 -10.071
   80   1HD   PRO  12           HD2      PRO  12  -2.820  -5.232 -11.678
   81   2HD   PRO  12           HD1      PRO  12  -3.710  -4.147 -10.673
   82    H    LYS  13           HN       LYS  13  -0.982  -7.414  -6.934
   83    HA   LYS  13           HA       LYS  13   0.771  -8.878  -8.863
   84   1HB   LYS  13           HB2      LYS  13   1.327  -7.630  -6.401
   85   2HB   LYS  13           HB1      LYS  13   1.327  -9.357  -6.054
   86   1HG   LYS  13           HG2      LYS  13   3.012  -9.784  -7.690
   87   2HG   LYS  13           HG1      LYS  13   2.833  -8.178  -8.396
   88   1HD   LYS  13           HD2      LYS  13   3.497  -7.311  -6.035
   89   2HD   LYS  13           HD1      LYS  13   4.097  -8.950  -5.773
   90   1HE   LYS  13           HE2      LYS  13   4.915  -7.142  -8.068
   91   2HE   LYS  13           HE1      LYS  13   5.878  -7.448  -6.622
   92   1HZ   LYS  13           HZ1      LYS  13   5.545  -9.906  -7.282
   93   2HZ   LYS  13           HZ3      LYS  13   5.198  -9.282  -8.820
   94   3HZ   LYS  13           HZ2      LYS  13   6.708  -8.977  -8.102
   95    HA   PRO  14           HA       PRO  14  -1.715 -12.438  -8.018
   96   1HB   PRO  14           HB2      PRO  14   0.036 -14.333  -8.967
   97   2HB   PRO  14           HB1      PRO  14  -0.936 -13.282 -10.013
   98   1HG   PRO  14           HG2      PRO  14   1.977 -13.132  -9.385
   99   2HG   PRO  14           HG1      PRO  14   1.112 -12.588 -10.831
  100   1HD   PRO  14           HD2      PRO  14   2.029 -10.928  -8.758
  101   2HD   PRO  14           HD1      PRO  14   0.848 -10.477  -9.976
  102    H    ALA  15           HN       ALA  15   0.613 -11.460  -6.093
  103    HA   ALA  15           HA       ALA  15   0.191 -13.416  -4.050
  104   1HB   ALA  15           HB2      ALA  15   2.752 -13.605  -5.645
  105   2HB   ALA  15           HB1      ALA  15   2.654 -14.168  -3.977
  106   3HB   ALA  15           HB3      ALA  15   1.637 -14.903  -5.217
  107    H    CYS  16           HN       CYS  16   0.411 -12.207  -2.215
  108    HA   CYS  16           HA       CYS  16   1.800  -9.637  -2.337
  109   1HB   CYS  16           HB2      CYS  16  -0.164 -10.870  -0.634
  110   2HB   CYS  16           HB1      CYS  16   1.157 -10.252   0.351
  111    H    THR  17           HN       THR  17   3.540  -9.045  -0.897
  112    HA   THR  17           HA       THR  17   5.596 -11.082  -0.706
  113    HB   THR  17           HB       THR  17   6.706  -9.139   0.696
  114    HG1  THR  17           HG1      THR  17   4.850  -7.615  -0.750
  115   1HG2  THR  17          HG22      THR  17   6.057  -9.135  -2.249
  116   2HG2  THR  17          HG21      THR  17   7.104  -7.908  -1.535
  117   3HG2  THR  17          HG23      THR  17   7.560  -9.610  -1.456
  118    H    LEU  18           HN       LEU  18   6.800 -10.813   1.718
  119    HA   LEU  18           HA       LEU  18   4.645 -11.639   3.591
  120   1HB   LEU  18           HB2      LEU  18   6.729 -12.844   4.719
  121   2HB   LEU  18           HB1      LEU  18   5.840 -13.596   3.404
  122    HG   LEU  18           HG       LEU  18   8.326 -13.687   3.142
  123   1HD1  LEU  18          HD13      LEU  18   6.367 -12.993   1.210
  124   2HD1  LEU  18          HD12      LEU  18   7.856 -12.140   0.802
  125   3HD1  LEU  18          HD11      LEU  18   7.864 -13.894   0.975
  126   1HD2  LEU  18          HD23      LEU  18   8.343 -11.125   4.014
  127   2HD2  LEU  18          HD22      LEU  18   9.659 -11.853   3.100
  128   3HD2  LEU  18          HD21      LEU  18   8.462 -10.866   2.275
  129    H    GLU  19           HN       GLU  19   7.287  -9.454   3.098
  130    HA   GLU  19           HA       GLU  19   7.967  -8.845   5.772
  131   1HB   GLU  19           HB2      GLU  19   7.869  -7.154   3.268
  132   2HB   GLU  19           HB1      GLU  19   8.442  -6.522   4.816
  133   1HG   GLU  19           HG2      GLU  19  10.407  -7.576   4.605
  134   2HG   GLU  19           HG1      GLU  19   9.612  -9.104   4.253
  135    H    TYR  20           HN       TYR  20   6.714  -8.081   7.346
  136    HA   TYR  20           HA       TYR  20   4.032  -7.098   6.683
  137   1HB   TYR  20           HB2      TYR  20   4.450  -8.592   8.646
  138   2HB   TYR  20           HB1      TYR  20   5.281  -7.252   9.432
  139    HD1  TYR  20           HD2      TYR  20   2.249  -7.240   7.240
  140    HD2  TYR  20           HD1      TYR  20   3.835  -6.566  11.175
  141    HE1  TYR  20           HE2      TYR  20   0.064  -6.322   7.962
  142    HE2  TYR  20           HE1      TYR  20   1.646  -5.655  11.900
  143    HH   TYR  20           HH       TYR  20  -0.344  -4.616  10.874
  144    H    ARG  21           HN       ARG  21   3.537  -5.094   6.420
  145    HA   ARG  21           HA       ARG  21   4.754  -2.906   7.919
  146   1HB   ARG  21           HB2      ARG  21   4.990  -2.358   5.031
  147   2HB   ARG  21           HB1      ARG  21   6.118  -1.995   6.333
  148   1HG   ARG  21           HG2      ARG  21   7.080  -4.184   6.254
  149   2HG   ARG  21           HG1      ARG  21   5.761  -4.806   5.259
  150   1HD   ARG  21           HD2      ARG  21   7.934  -4.287   4.023
  151   2HD   ARG  21           HD1      ARG  21   6.476  -3.549   3.357
  152    HE   ARG  21           HE       ARG  21   8.196  -1.978   5.221
  153   1HH1  ARG  21          HH21      ARG  21   5.728  -1.574   3.118
  154   2HH1  ARG  21          HH22      ARG  21   6.506  -0.424   2.083
  155   1HH2  ARG  21          HH11      ARG  21   9.647  -0.900   3.473
  156   2HH2  ARG  21          HH12      ARG  21   8.724  -0.042   2.283
  157    HA   PRO  22           HA       PRO  22   0.380  -2.519   6.736
  158   1HB   PRO  22           HB2      PRO  22  -0.309  -1.148   9.038
  159   2HB   PRO  22           HB1      PRO  22  -0.319  -2.918   8.872
  160   1HG   PRO  22           HG2      PRO  22   1.707  -1.158  10.209
  161   2HG   PRO  22           HG1      PRO  22   1.220  -2.815  10.611
  162   1HD   PRO  22           HD2      PRO  22   3.566  -2.169   9.261
  163   2HD   PRO  22           HD1      PRO  22   2.763  -3.752   9.167
  164    H    LEU  23           HN       LEU  23  -0.096  -0.950   5.272
  165    HA   LEU  23           HA       LEU  23   0.902   1.807   5.886
  166   1HB   LEU  23           HB2      LEU  23   0.057   0.797   3.172
  167   2HB   LEU  23           HB1      LEU  23   1.098   2.172   3.559
  168    HG   LEU  23           HG       LEU  23   2.249  -0.104   4.795
  169   1HD1  LEU  23          HD11      LEU  23   1.540  -0.550   1.885
  170   2HD1  LEU  23          HD13      LEU  23   2.640  -1.549   2.835
  171   3HD1  LEU  23          HD12      LEU  23   0.927  -1.480   3.252
  172   1HD2  LEU  23          HD21      LEU  23   3.152   2.081   3.631
  173   2HD2  LEU  23          HD23      LEU  23   4.143   0.624   3.688
  174   3HD2  LEU  23          HD22      LEU  23   3.256   1.030   2.218
  175    H    CYS  24           HN       CYS  24  -0.604   3.461   5.913
  176    HA   CYS  24           HA       CYS  24  -3.433   2.551   5.753
  177   1HB   CYS  24           HB2      CYS  24  -1.978   4.340   7.533
  178   2HB   CYS  24           HB1      CYS  24  -3.451   5.075   6.927
  179    H    GLY  25           HN       GLY  25  -4.647   3.164   4.121
  180   1HA   GLY  25           HA2      GLY  25  -3.755   4.900   2.012
  181   2HA   GLY  25           HA1      GLY  25  -5.328   4.263   2.201
  182    H    SER  26           HN       SER  26  -5.765   6.649   1.383
  183    HA   SER  26           HA       SER  26  -5.633   8.613   3.587
  184   1HB   SER  26           HB2      SER  26  -5.396   9.494   1.321
  185   2HB   SER  26           HB1      SER  26  -6.925   8.771   0.839
  186    HG   SER  26           HG       SER  26  -7.890  10.096   2.507
  187    H    ASP  27           HN       ASP  27  -7.742   6.176   2.450
  188    HA   ASP  27           HA       ASP  27 -10.219   7.294   3.499
  189   1HB   ASP  27           HB2      ASP  27 -11.170   5.141   2.967
  190   2HB   ASP  27           HB1      ASP  27 -10.052   5.546   1.666
  191    H    ASN  28           HN       ASN  28  -7.459   5.992   4.918
  192    HA   ASN  28           HA       ASN  28  -7.023   5.648   7.209
  193   1HB   ASN  28           HB2      ASN  28  -9.151   7.071   7.558
  194   2HB   ASN  28           HB1      ASN  28  -9.993   5.529   7.730
  195   1HD2  ASN  28          HD22      ASN  28  -8.872   5.041  11.024
  196   2HD2  ASN  28          HD21      ASN  28  -9.940   4.593   9.784
  197    H    LYS  29           HN       LYS  29  -7.310   3.586   5.217
  198    HA   LYS  29           HA       LYS  29  -8.391   1.354   6.870
  199   1HB   LYS  29           HB2      LYS  29  -9.522   1.424   4.759
  200   2HB   LYS  29           HB1      LYS  29  -8.012   1.653   3.879
  201   1HG   LYS  29           HG2      LYS  29  -7.530  -0.551   3.900
  202   2HG   LYS  29           HG1      LYS  29  -8.028  -0.730   5.581
  203   1HD   LYS  29           HD2      LYS  29 -10.438  -0.542   4.740
  204   2HD   LYS  29           HD1      LYS  29  -9.781  -0.748   3.115
  205   1HE   LYS  29           HE2      LYS  29  -8.554  -2.816   4.276
  206   2HE   LYS  29           HE1      LYS  29  -9.942  -2.713   5.360
  207   1HZ   LYS  29           HZ2      LYS  29 -10.681  -2.454   2.611
  208   2HZ   LYS  29           HZ1      LYS  29  -9.896  -3.929   2.921
  209   3HZ   LYS  29           HZ3      LYS  29 -11.284  -3.510   3.798
  210    H    THR  30           HN       THR  30  -6.968  -0.297   7.423
  211    HA   THR  30           HA       THR  30  -4.113   0.248   6.921
  212    HB   THR  30           HB       THR  30  -5.469  -1.883   8.604
  213    HG1  THR  30           HG1      THR  30  -5.722  -0.134   9.764
  214   1HG2  THR  30          HG21      THR  30  -2.570  -1.169   8.134
  215   2HG2  THR  30          HG23      THR  30  -3.091  -1.968   9.617
  216   3HG2  THR  30          HG22      THR  30  -3.333  -2.757   8.059
  217    H    TYR  31           HN       TYR  31  -2.737  -1.154   5.824
  218    HA   TYR  31           HA       TYR  31  -4.026  -3.391   4.334
  219   1HB   TYR  31           HB2      TYR  31  -1.928  -1.413   3.334
  220   2HB   TYR  31           HB1      TYR  31  -2.292  -2.925   2.561
  221    HD1  TYR  31           HD1      TYR  31  -3.814   0.279   3.650
  222    HD2  TYR  31           HD2      TYR  31  -4.197  -3.204   1.162
  223    HE1  TYR  31           HE1      TYR  31  -5.760   1.308   2.507
  224    HE2  TYR  31           HE2      TYR  31  -6.143  -2.175   0.022
  225    HH   TYR  31           HH       TYR  31  -7.956  -0.220   0.879
  226    H    GLY  32           HN       GLY  32  -3.122  -5.314   4.859
  227   1HA   GLY  32           HA2      GLY  32  -1.398  -5.877   6.836
  228   2HA   GLY  32           HA1      GLY  32  -1.378  -6.858   5.386
  229    H    ASN  33           HN       ASN  33  -0.193  -5.285   3.513
  230    HA   ASN  33           HA       ASN  33   2.202  -4.055   4.679
  231   1HB   ASN  33           HB2      ASN  33   3.770  -5.529   3.433
  232   2HB   ASN  33           HB1      ASN  33   2.870  -6.390   4.672
  233   1HD2  ASN  33          HD22      ASN  33   2.598  -8.561   1.737
  234   2HD2  ASN  33          HD21      ASN  33   3.758  -8.120   2.894
  235    H    LYS  34           HN       LYS  34   3.772  -4.013   2.374
  236    HA   LYS  34           HA       LYS  34   2.647  -1.827   0.988
  237   1HB   LYS  34           HB2      LYS  34   4.434  -2.622  -0.834
  238   2HB   LYS  34           HB1      LYS  34   4.929  -1.877   0.684
  239   1HG   LYS  34           HG2      LYS  34   5.722  -3.850   1.556
  240   2HG   LYS  34           HG1      LYS  34   4.533  -4.836   0.702
  241   1HD   LYS  34           HD2      LYS  34   6.810  -3.404  -0.690
  242   2HD   LYS  34           HD1      LYS  34   6.917  -5.075  -0.134
  243   1HE   LYS  34           HE2      LYS  34   4.891  -5.605  -1.501
  244   2HE   LYS  34           HE1      LYS  34   4.934  -3.962  -2.138
  245   1HZ   LYS  34           HZ2      LYS  34   7.482  -4.847  -2.457
  246   2HZ   LYS  34           HZ1      LYS  34   6.554  -6.225  -2.819
  247   3HZ   LYS  34           HZ3      LYS  34   6.297  -4.781  -3.673
  248    H    CYS  35           HN       CYS  35   3.240  -5.014  -0.597
  249    HA   CYS  35           HA       CYS  35   1.847  -4.635  -2.890
  250   1HB   CYS  35           HB2      CYS  35   1.382  -7.052  -2.809
  251   2HB   CYS  35           HB1      CYS  35   3.029  -6.688  -2.340
  252    H    ASN  36           HN       ASN  36   0.317  -5.552   0.249
  253    HA   ASN  36           HA       ASN  36  -2.339  -5.675  -0.807
  254   1HB   ASN  36           HB2      ASN  36  -1.135  -5.393   1.905
  255   2HB   ASN  36           HB1      ASN  36  -2.837  -4.962   1.724
  256   1HD2  ASN  36          HD22      ASN  36  -1.703  -8.856   1.544
  257   2HD2  ASN  36          HD21      ASN  36  -0.569  -7.611   1.732
  258    H    PHE  37           HN       PHE  37  -0.471  -2.983   0.589
  259    HA   PHE  37           HA       PHE  37  -2.602  -1.078   0.589
  260   1HB   PHE  37           HB2      PHE  37  -0.509  -0.694   1.789
  261   2HB   PHE  37           HB1      PHE  37   0.365  -0.558   0.405
  262    HD1  PHE  37           HD1      PHE  37  -2.959   0.777   1.274
  263    HD2  PHE  37           HD2      PHE  37   1.041   1.565   0.038
  264    HE1  PHE  37           HE1      PHE  37  -3.545   3.183   0.969
  265    HE2  PHE  37           HE2      PHE  37   0.490   3.972  -0.272
  266    HZ   PHE  37           HZ       PHE  37  -1.816   4.772   0.189
  267    H    CYS  38           HN       CYS  38   0.119  -1.304  -1.631
  268    HA   CYS  38           HA       CYS  38  -0.795   0.587  -3.505
  269   1HB   CYS  38           HB2      CYS  38   1.398  -0.028  -3.943
  270   2HB   CYS  38           HB1      CYS  38   1.085  -1.742  -3.683
  271    H    ASN  39           HN       ASN  39  -1.497  -2.917  -3.349
  272    HA   ASN  39           HA       ASN  39  -2.842  -3.178  -5.778
  273   1HB   ASN  39           HB2      ASN  39  -3.002  -4.461  -3.109
  274   2HB   ASN  39           HB1      ASN  39  -4.450  -4.615  -4.088
  275   1HD2  ASN  39          HD22      ASN  39  -1.411  -6.986  -4.909
  276   2HD2  ASN  39          HD21      ASN  39  -1.632  -6.186  -3.437
  277    H    ALA  40           HN       ALA  40  -3.914  -1.710  -2.752
  278    HA   ALA  40           HA       ALA  40  -6.625  -1.161  -3.640
  279   1HB   ALA  40           HB3      ALA  40  -4.905  -0.539  -1.300
  280   2HB   ALA  40           HB2      ALA  40  -6.140   0.668  -1.659
  281   3HB   ALA  40           HB1      ALA  40  -6.605  -1.003  -1.349
  282    H    VAL  41           HN       VAL  41  -3.538   0.518  -3.775
  283    HA   VAL  41           HA       VAL  41  -4.617   3.063  -4.639
  284    HB   VAL  41           HB       VAL  41  -1.872   1.812  -5.013
  285   1HG1  VAL  41          HG12      VAL  41  -2.710   3.785  -6.563
  286   2HG1  VAL  41          HG11      VAL  41  -2.401   4.762  -5.129
  287   3HG1  VAL  41          HG13      VAL  41  -1.093   3.833  -5.861
  288   1HG2  VAL  41          HG22      VAL  41  -2.993   3.771  -2.987
  289   2HG2  VAL  41          HG21      VAL  41  -2.421   2.133  -2.669
  290   3HG2  VAL  41          HG23      VAL  41  -1.279   3.388  -3.150
  291    H    VAL  42           HN       VAL  42  -2.661   0.724  -6.484
  292    HA   VAL  42           HA       VAL  42  -3.305   1.605  -9.035
  293    HB   VAL  42           HB       VAL  42  -1.473   0.076  -8.545
  294   1HG1  VAL  42          HG11      VAL  42  -3.278  -1.276  -6.982
  295   2HG1  VAL  42          HG13      VAL  42  -3.077  -2.354  -8.364
  296   3HG1  VAL  42          HG12      VAL  42  -1.671  -1.852  -7.426
  297   1HG2  VAL  42          HG23      VAL  42  -2.632   0.106 -10.806
  298   2HG2  VAL  42          HG22      VAL  42  -1.683  -1.337 -10.448
  299   3HG2  VAL  42          HG21      VAL  42  -3.440  -1.379 -10.305
  300    H    GLU  43           HN       GLU  43  -5.417  -0.126  -6.856
  301    HA   GLU  43           HA       GLU  43  -7.114  -1.036  -9.100
  302   1HB   GLU  43           HB2      GLU  43  -8.578  -1.876  -7.266
  303   2HB   GLU  43           HB1      GLU  43  -7.011  -2.620  -7.214
  304   1HG   GLU  43           HG2      GLU  43  -7.150  -2.034  -5.051
  305   2HG   GLU  43           HG1      GLU  43  -6.677  -0.451  -5.645
  306    H    SER  44           HN       SER  44  -6.882   1.392  -6.609
  307    HA   SER  44           HA       SER  44  -9.568   2.463  -7.171
  308   1HB   SER  44           HB2      SER  44  -8.936   2.628  -4.875
  309   2HB   SER  44           HB1      SER  44  -7.336   3.237  -5.286
  310    HG   SER  44           HG       SER  44  -8.314   5.083  -4.919
  311    H    ASN  45           HN       ASN  45  -6.632   2.636  -8.685
  312    HA   ASN  45           HA       ASN  45  -6.028   3.980 -10.514
  313   1HB   ASN  45           HB2      ASN  45  -7.573   5.350 -11.443
  314   2HB   ASN  45           HB1      ASN  45  -8.660   4.719 -10.218
  315   1HD2  ASN  45          HD22      ASN  45  -8.387   8.558 -10.194
  316   2HD2  ASN  45          HD21      ASN  45  -8.478   7.487 -11.509
  317    H    GLY  46           HN       GLY  46  -5.704   4.441  -7.348
  318   1HA   GLY  46           HA2      GLY  46  -3.833   5.471  -6.307
  319   2HA   GLY  46           HA1      GLY  46  -3.607   6.481  -7.725
  320    H    THR  47           HN       THR  47  -6.858   6.459  -6.735
  321    HA   THR  47           HA       THR  47  -6.579   9.208  -5.696
  322    HB   THR  47           HB       THR  47  -9.114   9.034  -5.533
  323    HG1  THR  47           HG1      THR  47  -9.925   7.132  -5.793
  324   1HG2  THR  47          HG22      THR  47  -7.420   8.865  -7.952
  325   2HG2  THR  47          HG21      THR  47  -9.153   8.644  -8.198
  326   3HG2  THR  47          HG23      THR  47  -8.549  10.123  -7.449
  327    H    LEU  48           HN       LEU  48  -6.195   6.248  -4.427
  328    HA   LEU  48           HA       LEU  48  -7.659   6.553  -1.930
  329   1HB   LEU  48           HB2      LEU  48  -7.265   4.327  -1.815
  330   2HB   LEU  48           HB1      LEU  48  -6.392   4.455  -3.332
  331    HG   LEU  48           HG       LEU  48  -4.315   5.008  -2.021
  332   1HD1  LEU  48          HD12      LEU  48  -6.111   5.383   0.065
  333   2HD1  LEU  48          HD11      LEU  48  -5.358   3.834   0.441
  334   3HD1  LEU  48          HD13      LEU  48  -4.358   5.271   0.226
  335   1HD2  LEU  48          HD23      LEU  48  -4.940   2.696  -2.825
  336   2HD2  LEU  48          HD22      LEU  48  -3.871   2.716  -1.422
  337   3HD2  LEU  48          HD21      LEU  48  -5.590   2.386  -1.215
  338    H    THR  49           HN       THR  49  -4.270   6.682  -2.861
  339    HA   THR  49           HA       THR  49  -2.388   7.569  -1.826
  340    HB   THR  49           HB       THR  49  -2.663   9.874  -1.137
  341    HG1  THR  49           HG1      THR  49  -4.615  10.733  -0.815
  342   1HG2  THR  49          HG21      THR  49  -2.560   9.193  -3.525
  343   2HG2  THR  49          HG23      THR  49  -4.323   9.215  -3.561
  344   3HG2  THR  49          HG22      THR  49  -3.429  10.708  -3.268
  345    H    LEU  50           HN       LEU  50  -1.436   6.945  -0.077
  346    HA   LEU  50           HA       LEU  50  -2.891   6.535   2.434
  347   1HB   LEU  50           HB2      LEU  50  -1.385   4.843   2.401
  348   2HB   LEU  50           HB1      LEU  50  -0.448   5.616   1.137
  349    HG   LEU  50           HG       LEU  50  -0.134   6.782   3.849
  350   1HD1  LEU  50          HD11      LEU  50   0.842   4.035   3.062
  351   2HD1  LEU  50          HD13      LEU  50   1.421   4.940   4.460
  352   3HD1  LEU  50          HD12      LEU  50  -0.262   4.421   4.381
  353   1HD2  LEU  50          HD22      LEU  50   1.654   5.991   1.529
  354   2HD2  LEU  50          HD21      LEU  50   1.247   7.624   2.054
  355   3HD2  LEU  50          HD23      LEU  50   2.287   6.611   3.054
  356    H    SER  51           HN       SER  51  -2.094   7.469   4.461
  357    HA   SER  51           HA       SER  51  -1.143  10.271   4.049
  358   1HB   SER  51           HB2      SER  51  -3.394   9.414   5.368
  359   2HB   SER  51           HB1      SER  51  -2.232   9.443   6.664
  360    HG   SER  51           HG       SER  51  -2.385  11.526   6.654
  361    H    HIS  52           HN       HIS  52  -0.548   7.234   5.620
  362    HA   HIS  52           HA       HIS  52   2.150   8.065   6.378
  363   1HB   HIS  52           HB2      HIS  52   1.824   7.676   8.782
  364   2HB   HIS  52           HB1      HIS  52   0.754   8.967   8.229
  365    HD1  HIS  52           HD1      HIS  52   0.500   6.350  10.443
  366    HD2  HIS  52           HD2      HIS  52  -1.775   7.279   7.064
  367    HE1  HIS  52           HE1      HIS  52  -1.693   5.106  10.678
  368    H    PHE  53           HN       PHE  53   3.355   6.230   7.244
  369    HA   PHE  53           HA       PHE  53   2.482   3.686   6.100
  370   1HB   PHE  53           HB2      PHE  53   4.906   4.493   7.735
  371   2HB   PHE  53           HB1      PHE  53   4.645   2.860   7.126
  372    HD1  PHE  53           HD2      PHE  53   4.874   6.424   6.023
  373    HD2  PHE  53           HD1      PHE  53   5.248   2.289   4.927
  374    HE1  PHE  53           HE2      PHE  53   5.795   7.093   3.819
  375    HE2  PHE  53           HE1      PHE  53   6.169   2.956   2.723
  376    HZ   PHE  53           HZ       PHE  53   6.440   5.357   2.168
  377    H    GLY  54           HN       GLY  54   3.219   1.790   7.940
  378   1HA   GLY  54           HA2      GLY  54   2.508   0.693   9.880
  379   2HA   GLY  54           HA1      GLY  54   2.304   2.266  10.605
  380    H    LYS  55           HN       LYS  55   0.373   0.986  11.512
  381    HA   LYS  55           HA       LYS  55  -1.916   0.851   9.648
  382   1HB   LYS  55           HB2      LYS  55  -2.459   0.414  12.511
  383   2HB   LYS  55           HB1      LYS  55  -2.846  -0.607  11.128
  384   1HG   LYS  55           HG2      LYS  55  -0.391  -1.255  11.057
  385   2HG   LYS  55           HG1      LYS  55  -0.212  -0.436  12.609
  386   1HD   LYS  55           HD2      LYS  55  -2.281  -2.590  12.146
  387   2HD   LYS  55           HD1      LYS  55  -0.655  -2.947  12.727
  388   1HE   LYS  55           HE2      LYS  55  -2.139  -0.778  14.127
  389   2HE   LYS  55           HE1      LYS  55  -2.689  -2.431  14.405
  390   1HZ   LYS  55           HZ3      LYS  55   0.038  -2.572  14.546
  391   2HZ   LYS  55           HZ2      LYS  55  -0.337  -1.124  15.349
  392   3HZ   LYS  55           HZ1      LYS  55  -1.036  -2.585  15.859
  393    H    CYS  56           HN       CYS  56  -3.993   1.890  10.437
  394    HA   CYS  56           HA       CYS  56  -3.523   4.701  10.843
  395   1HB   CYS  56           HB2      CYS  56  -5.989   2.970  10.750
  396   2HB   CYS  56           HB1      CYS  56  -6.095   4.687  11.140
   
  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  11.660  12.115   5.294
    2   2H    LEU   1           HT2      LEU   1  12.884  11.185   4.570
    3   3H    LEU   1           HT1      LEU   1  13.290  12.478   5.594
    4    HA   LEU   1           HA       LEU   1  13.088  13.998   3.991
    5   1HB   LEU   1           HB2      LEU   1  13.882  11.518   2.911
    6   2HB   LEU   1           HB1      LEU   1  12.741  12.197   1.750
    7    HG   LEU   1           HG       LEU   1  14.070  14.398   2.024
    8   1HD1  LEU   1          HD12      LEU   1  16.062  12.390   3.122
    9   2HD1  LEU   1          HD11      LEU   1  16.437  14.057   2.684
   10   3HD1  LEU   1          HD13      LEU   1  15.336  13.722   4.020
   11   1HD2  LEU   1          HD23      LEU   1  14.112  12.813   0.044
   12   2HD2  LEU   1          HD22      LEU   1  15.589  13.751   0.266
   13   3HD2  LEU   1          HD21      LEU   1  15.534  12.062   0.768
   14    H    ALA   2           HN       ALA   2  11.803  14.418   1.714
   15    HA   ALA   2           HA       ALA   2   8.961  14.364   2.517
   16   1HB   ALA   2           HB1      ALA   2  10.631  16.138   1.028
   17   2HB   ALA   2           HB3      ALA   2   9.346  15.580  -0.043
   18   3HB   ALA   2           HB2      ALA   2   8.942  16.363   1.485
   19    H    ALA   3           HN       ALA   3   7.828  14.418  -0.099
   20    HA   ALA   3           HA       ALA   3   6.925  12.888  -1.632
   21   1HB   ALA   3           HB3      ALA   3   9.779  12.855  -1.886
   22   2HB   ALA   3           HB2      ALA   3   9.180  11.212  -2.115
   23   3HB   ALA   3           HB1      ALA   3   8.567  12.522  -3.124
   24    H    VAL   4           HN       VAL   4   6.260  12.156   0.881
   25    HA   VAL   4           HA       VAL   4   7.131   9.420   1.454
   26    HB   VAL   4           HB       VAL   4   5.621   9.534   3.342
   27   1HG1  VAL   4          HG11      VAL   4   7.118  12.084   2.734
   28   2HG1  VAL   4          HG13      VAL   4   6.303  11.838   4.279
   29   3HG1  VAL   4          HG12      VAL   4   7.605  10.756   3.786
   30   1HG2  VAL   4          HG22      VAL   4   4.351  11.642   1.666
   31   2HG2  VAL   4          HG21      VAL   4   3.605  10.459   2.741
   32   3HG2  VAL   4          HG23      VAL   4   4.344  11.915   3.408
   33    H    SER   5           HN       SER   5   6.452   7.935  -0.048
   34    HA   SER   5           HA       SER   5   3.644   7.275  -0.204
   35   1HB   SER   5           HB2      SER   5   3.530   7.643  -2.739
   36   2HB   SER   5           HB1      SER   5   3.415   9.085  -1.735
   37    HG   SER   5           HG       SER   5   4.916   9.410  -3.388
   38    H    VAL   6           HN       VAL   6   3.309   5.386  -1.702
   39    HA   VAL   6           HA       VAL   6   5.866   3.867  -2.006
   40    HB   VAL   6           HB       VAL   6   3.083   2.724  -1.639
   41   1HG1  VAL   6          HG13      VAL   6   5.802   1.634  -2.087
   42   2HG1  VAL   6          HG12      VAL   6   4.860   0.833  -0.830
   43   3HG1  VAL   6          HG11      VAL   6   4.231   0.933  -2.474
   44   1HG2  VAL   6          HG22      VAL   6   4.994   3.837   0.278
   45   2HG2  VAL   6          HG21      VAL   6   3.318   3.348   0.526
   46   3HG2  VAL   6          HG23      VAL   6   4.609   2.150   0.621
   47    H    ASP   7           HN       ASP   7   6.159   2.674  -3.956
   48    HA   ASP   7           HA       ASP   7   4.619   3.716  -6.242
   49   1HB   ASP   7           HB2      ASP   7   7.136   3.443  -6.267
   50   2HB   ASP   7           HB1      ASP   7   6.880   1.699  -6.270
   51    H    CYS   8           HN       CYS   8   2.960   2.607  -7.183
   52    HA   CYS   8           HA       CYS   8   2.803  -0.336  -6.770
   53   1HB   CYS   8           HB2      CYS   8   0.382   1.453  -6.541
   54   2HB   CYS   8           HB1      CYS   8   0.550  -0.230  -6.048
   55    H    SER   9           HN       SER   9   3.696   0.874  -9.123
   56    HA   SER   9           HA       SER   9   1.383   1.050 -10.954
   57   1HB   SER   9           HB2      SER   9   4.235   1.798 -11.038
   58   2HB   SER   9           HB1      SER   9   3.601   1.164 -12.553
   59    HG   SER   9           HG       SER   9   3.355   3.506 -12.116
   60    H    GLU  10           HN       GLU  10   2.813  -1.484  -9.579
   61    HA   GLU  10           HA       GLU  10   2.786  -3.108 -12.095
   62   1HB   GLU  10           HB2      GLU  10   4.300  -3.623  -9.517
   63   2HB   GLU  10           HB1      GLU  10   4.307  -4.676 -10.931
   64   1HG   GLU  10           HG2      GLU  10   6.273  -3.361 -11.145
   65   2HG   GLU  10           HG1      GLU  10   5.112  -2.622 -12.250
   66    H    TYR  11           HN       TYR  11   0.916  -2.398  -9.505
   67    HA   TYR  11           HA       TYR  11   0.129  -5.104  -8.783
   68   1HB   TYR  11           HB2      TYR  11  -0.756  -2.331  -7.986
   69   2HB   TYR  11           HB1      TYR  11  -1.609  -3.765  -7.423
   70    HD1  TYR  11           HD2      TYR  11   1.824  -2.316  -7.691
   71    HD2  TYR  11           HD1      TYR  11  -0.802  -4.943  -5.535
   72    HE1  TYR  11           HE2      TYR  11   3.590  -2.680  -5.991
   73    HE2  TYR  11           HE1      TYR  11   0.968  -5.314  -3.832
   74    HH   TYR  11           HH       TYR  11   4.192  -4.441  -4.322
   75    HA   PRO  12           HA       PRO  12  -1.984  -5.512  -7.732
   76   1HB   PRO  12           HB2      PRO  12  -3.338  -7.849  -8.262
   77   2HB   PRO  12           HB1      PRO  12  -4.141  -6.311  -7.891
   78   1HG   PRO  12           HG2      PRO  12  -3.805  -7.668 -10.539
   79   2HG   PRO  12           HG1      PRO  12  -5.115  -6.615  -9.975
   80   1HD   PRO  12           HD2      PRO  12  -3.022  -5.802 -11.656
   81   2HD   PRO  12           HD1      PRO  12  -4.066  -4.733 -10.743
   82    H    LYS  13           HN       LYS  13  -0.850  -7.302  -6.797
   83    HA   LYS  13           HA       LYS  13   1.150  -8.522  -8.629
   84   1HB   LYS  13           HB2      LYS  13   1.201  -7.442  -5.955
   85   2HB   LYS  13           HB1      LYS  13   1.727  -9.123  -5.921
   86   1HG   LYS  13           HG2      LYS  13   3.327  -8.618  -7.774
   87   2HG   LYS  13           HG1      LYS  13   2.851  -6.922  -7.674
   88   1HD   LYS  13           HD2      LYS  13   3.751  -6.674  -5.500
   89   2HD   LYS  13           HD1      LYS  13   3.838  -8.416  -5.246
   90   1HE   LYS  13           HE2      LYS  13   5.749  -8.651  -6.538
   91   2HE   LYS  13           HE1      LYS  13   5.386  -7.231  -7.519
   92   1HZ   LYS  13           HZ2      LYS  13   6.108  -7.082  -4.647
   93   2HZ   LYS  13           HZ1      LYS  13   7.249  -6.958  -5.899
   94   3HZ   LYS  13           HZ3      LYS  13   6.014  -5.803  -5.762
   95    HA   PRO  14           HA       PRO  14  -0.847 -12.441  -8.089
   96   1HB   PRO  14           HB2      PRO  14   1.174 -13.988  -9.120
   97   2HB   PRO  14           HB1      PRO  14   0.078 -13.017 -10.119
   98   1HG   PRO  14           HG2      PRO  14   2.928 -12.499  -9.413
   99   2HG   PRO  14           HG1      PRO  14   2.012 -11.975 -10.835
  100   1HD   PRO  14           HD2      PRO  14   2.655 -10.371  -8.616
  101   2HD   PRO  14           HD1      PRO  14   1.455  -9.989  -9.836
  102    H    ALA  15           HN       ALA  15   1.269 -11.264  -6.041
  103    HA   ALA  15           HA       ALA  15   1.087 -13.254  -4.063
  104   1HB   ALA  15           HB1      ALA  15   2.886 -14.056  -6.052
  105   2HB   ALA  15           HB3      ALA  15   3.912 -13.438  -4.757
  106   3HB   ALA  15           HB2      ALA  15   2.758 -14.732  -4.428
  107    H    CYS  16           HN       CYS  16   1.647 -12.250  -2.153
  108    HA   CYS  16           HA       CYS  16   3.136  -9.691  -2.401
  109   1HB   CYS  16           HB2      CYS  16   1.523 -10.737  -0.046
  110   2HB   CYS  16           HB1      CYS  16   2.190  -9.119  -0.236
  111    H    THR  17           HN       THR  17   4.917  -9.228  -1.045
  112    HA   THR  17           HA       THR  17   6.830 -11.203  -0.648
  113    HB   THR  17           HB       THR  17   7.562  -9.531   1.284
  114    HG1  THR  17           HG1      THR  17   6.382  -7.553  -0.071
  115   1HG2  THR  17          HG21      THR  17   7.949  -9.745  -1.527
  116   2HG2  THR  17          HG23      THR  17   7.841  -8.031  -1.127
  117   3HG2  THR  17          HG22      THR  17   9.041  -9.049  -0.331
  118    H    LEU  18           HN       LEU  18   4.173 -10.448   1.248
  119    HA   LEU  18           HA       LEU  18   3.117 -11.589   2.953
  120   1HB   LEU  18           HB2      LEU  18   5.043 -13.439   1.930
  121   2HB   LEU  18           HB1      LEU  18   4.981 -13.540   3.678
  122    HG   LEU  18           HG       LEU  18   2.396 -13.304   2.255
  123   1HD1  LEU  18          HD11      LEU  18   4.171 -15.752   2.184
  124   2HD1  LEU  18          HD13      LEU  18   2.420 -15.859   2.008
  125   3HD1  LEU  18          HD12      LEU  18   3.371 -14.950   0.833
  126   1HD2  LEU  18          HD21      LEU  18   3.463 -14.790   4.670
  127   2HD2  LEU  18          HD23      LEU  18   2.311 -13.453   4.643
  128   3HD2  LEU  18          HD22      LEU  18   1.831 -15.043   4.051
  129    H    GLU  19           HN       GLU  19   5.881  -9.823   3.188
  130    HA   GLU  19           HA       GLU  19   6.483 -10.353   6.009
  131   1HB   GLU  19           HB2      GLU  19   7.275  -7.705   5.063
  132   2HB   GLU  19           HB1      GLU  19   8.278  -9.004   5.702
  133   1HG   GLU  19           HG2      GLU  19   7.304  -8.694   2.856
  134   2HG   GLU  19           HG1      GLU  19   8.964  -8.554   3.427
  135    H    TYR  20           HN       TYR  20   6.495  -7.770   7.052
  136    HA   TYR  20           HA       TYR  20   3.647  -6.972   6.749
  137   1HB   TYR  20           HB2      TYR  20   4.102  -8.376   8.822
  138   2HB   TYR  20           HB1      TYR  20   4.979  -6.983   9.448
  139    HD1  TYR  20           HD2      TYR  20   1.894  -7.132   7.322
  140    HD2  TYR  20           HD1      TYR  20   3.592  -6.072  11.126
  141    HE1  TYR  20           HE2      TYR  20  -0.249  -6.080   7.980
  142    HE2  TYR  20           HE1      TYR  20   1.444  -5.026  11.788
  143    HH   TYR  20           HH       TYR  20  -0.919  -5.148  11.206
  144    H    ARG  21           HN       ARG  21   3.362  -4.977   6.393
  145    HA   ARG  21           HA       ARG  21   4.937  -2.811   7.565
  146   1HB   ARG  21           HB2      ARG  21   4.976  -3.271   4.554
  147   2HB   ARG  21           HB1      ARG  21   5.612  -1.845   5.376
  148   1HG   ARG  21           HG2      ARG  21   7.017  -3.603   6.736
  149   2HG   ARG  21           HG1      ARG  21   6.684  -4.653   5.357
  150   1HD   ARG  21           HD2      ARG  21   7.842  -1.865   5.096
  151   2HD   ARG  21           HD1      ARG  21   8.828  -3.325   5.169
  152    HE   ARG  21           HE       ARG  21   7.004  -3.823   3.127
  153   1HH1  ARG  21          HH21      ARG  21   7.882  -0.688   3.432
  154   2HH1  ARG  21          HH22      ARG  21   8.861  -0.594   2.007
  155   1HH2  ARG  21          HH11      ARG  21   8.892  -4.020   1.480
  156   2HH2  ARG  21          HH12      ARG  21   9.432  -2.479   0.902
  157    HA   PRO  22           HA       PRO  22   0.451  -2.350   6.684
  158   1HB   PRO  22           HB2      PRO  22  -0.091  -1.083   9.079
  159   2HB   PRO  22           HB1      PRO  22  -0.151  -2.840   8.827
  160   1HG   PRO  22           HG2      PRO  22   1.990  -1.193  10.131
  161   2HG   PRO  22           HG1      PRO  22   1.467  -2.848  10.498
  162   1HD   PRO  22           HD2      PRO  22   3.763  -2.242   9.059
  163   2HD   PRO  22           HD1      PRO  22   2.883  -3.780   8.918
  164    H    LEU  23           HN       LEU  23  -0.070  -0.725   5.320
  165    HA   LEU  23           HA       LEU  23   0.996   1.993   6.012
  166   1HB   LEU  23           HB2      LEU  23   0.086   1.167   3.260
  167   2HB   LEU  23           HB1      LEU  23   1.193   2.461   3.714
  168    HG   LEU  23           HG       LEU  23   2.037  -0.251   4.547
  169   1HD1  LEU  23          HD12      LEU  23   1.473   0.494   1.727
  170   2HD1  LEU  23          HD11      LEU  23   2.987  -0.350   2.056
  171   3HD1  LEU  23          HD13      LEU  23   1.450  -1.091   2.501
  172   1HD2  LEU  23          HD23      LEU  23   3.180   2.231   4.389
  173   2HD2  LEU  23          HD22      LEU  23   4.088   0.721   4.450
  174   3HD2  LEU  23          HD21      LEU  23   3.753   1.486   2.896
  175    H    CYS  24           HN       CYS  24  -0.507   3.498   6.508
  176    HA   CYS  24           HA       CYS  24  -3.351   2.815   6.433
  177   1HB   CYS  24           HB2      CYS  24  -2.687   4.079   8.336
  178   2HB   CYS  24           HB1      CYS  24  -1.759   5.191   7.359
  179    H    GLY  25           HN       GLY  25  -4.708   3.291   4.792
  180   1HA   GLY  25           HA2      GLY  25  -3.844   4.748   2.417
  181   2HA   GLY  25           HA1      GLY  25  -5.380   4.068   2.704
  182    H    SER  26           HN       SER  26  -5.325   6.551   1.553
  183    HA   SER  26           HA       SER  26  -5.445   8.741   3.403
  184   1HB   SER  26           HB2      SER  26  -5.303   9.475   1.191
  185   2HB   SER  26           HB1      SER  26  -6.457   8.284   0.608
  186    HG   SER  26           HG       SER  26  -6.959  10.611   2.151
  187    H    ASP  27           HN       ASP  27  -7.880   6.429   2.277
  188    HA   ASP  27           HA       ASP  27 -10.082   7.834   3.558
  189   1HB   ASP  27           HB2      ASP  27 -11.414   5.897   2.945
  190   2HB   ASP  27           HB1      ASP  27 -10.367   6.315   1.591
  191    H    ASN  28           HN       ASN  28  -7.520   6.373   4.927
  192    HA   ASN  28           HA       ASN  28  -7.180   5.836   7.197
  193   1HB   ASN  28           HB2      ASN  28  -9.368   7.205   7.500
  194   2HB   ASN  28           HB1      ASN  28 -10.157   5.630   7.592
  195   1HD2  ASN  28          HD22      ASN  28  -9.406   6.024  11.081
  196   2HD2  ASN  28          HD21      ASN  28 -10.619   6.268   9.919
  197    H    LYS  29           HN       LYS  29  -7.215   3.883   5.130
  198    HA   LYS  29           HA       LYS  29  -8.415   1.564   6.589
  199   1HB   LYS  29           HB2      LYS  29  -8.355   0.395   4.361
  200   2HB   LYS  29           HB1      LYS  29  -9.446   1.775   4.424
  201   1HG   LYS  29           HG2      LYS  29  -8.065   3.101   3.116
  202   2HG   LYS  29           HG1      LYS  29  -6.622   2.225   3.593
  203   1HD   LYS  29           HD2      LYS  29  -7.020   1.585   1.331
  204   2HD   LYS  29           HD1      LYS  29  -7.584   0.228   2.307
  205   1HE   LYS  29           HE2      LYS  29  -9.729   2.116   2.023
  206   2HE   LYS  29           HE1      LYS  29  -9.073   1.755   0.425
  207   1HZ   LYS  29           HZ2      LYS  29  -9.633  -0.405   2.355
  208   2HZ   LYS  29           HZ1      LYS  29 -10.871   0.224   1.375
  209   3HZ   LYS  29           HZ3      LYS  29  -9.508  -0.493   0.663
  210    H    THR  30           HN       THR  30  -6.823   0.642   7.692
  211    HA   THR  30           HA       THR  30  -4.029   0.825   7.065
  212    HB   THR  30           HB       THR  30  -5.559  -1.135   8.808
  213    HG1  THR  30           HG1      THR  30  -5.042   0.219  10.379
  214   1HG2  THR  30          HG21      THR  30  -2.564  -0.782   8.449
  215   2HG2  THR  30          HG23      THR  30  -3.314  -1.736   9.729
  216   3HG2  THR  30          HG22      THR  30  -3.504  -2.219   8.044
  217    H    TYR  31           HN       TYR  31  -2.697  -0.664   5.962
  218    HA   TYR  31           HA       TYR  31  -4.163  -2.832   4.527
  219   1HB   TYR  31           HB2      TYR  31  -2.625  -0.634   3.447
  220   2HB   TYR  31           HB1      TYR  31  -1.836  -2.157   3.081
  221    HD1  TYR  31           HD2      TYR  31  -3.257  -4.032   2.094
  222    HD2  TYR  31           HD1      TYR  31  -4.587   0.036   2.322
  223    HE1  TYR  31           HE2      TYR  31  -4.979  -4.502   0.362
  224    HE2  TYR  31           HE1      TYR  31  -6.305  -0.424   0.596
  225    HH   TYR  31           HH       TYR  31  -7.557  -2.450  -0.256
  226    H    GLY  32           HN       GLY  32  -3.153  -4.871   4.589
  227   1HA   GLY  32           HA2      GLY  32  -1.576  -5.494   6.761
  228   2HA   GLY  32           HA1      GLY  32  -1.623  -6.496   5.330
  229    H    ASN  33           HN       ASN  33  -0.391  -4.779   3.469
  230    HA   ASN  33           HA       ASN  33   2.122  -3.847   4.632
  231   1HB   ASN  33           HB2      ASN  33   3.561  -5.419   3.396
  232   2HB   ASN  33           HB1      ASN  33   2.533  -6.259   4.550
  233   1HD2  ASN  33          HD22      ASN  33   2.308  -8.024   1.257
  234   2HD2  ASN  33          HD21      ASN  33   3.583  -7.648   2.310
  235    H    LYS  34           HN       LYS  34   3.698  -3.887   2.343
  236    HA   LYS  34           HA       LYS  34   2.543  -1.707   0.866
  237   1HB   LYS  34           HB2      LYS  34   4.600  -1.875  -0.517
  238   2HB   LYS  34           HB1      LYS  34   4.960  -1.856   1.208
  239   1HG   LYS  34           HG2      LYS  34   5.693  -4.020   1.217
  240   2HG   LYS  34           HG1      LYS  34   4.496  -4.534   0.028
  241   1HD   LYS  34           HD2      LYS  34   6.998  -2.931  -0.574
  242   2HD   LYS  34           HD1      LYS  34   6.772  -4.647  -0.914
  243   1HE   LYS  34           HE2      LYS  34   5.830  -4.108  -2.882
  244   2HE   LYS  34           HE1      LYS  34   4.533  -3.287  -2.012
  245   1HZ   LYS  34           HZ3      LYS  34   7.095  -1.902  -2.325
  246   2HZ   LYS  34           HZ2      LYS  34   6.071  -2.004  -3.677
  247   3HZ   LYS  34           HZ1      LYS  34   5.525  -1.266  -2.247
  248    H    CYS  35           HN       CYS  35   2.641  -5.160   0.353
  249    HA   CYS  35           HA       CYS  35   2.101  -5.075  -2.452
  250   1HB   CYS  35           HB2      CYS  35   2.908  -7.135  -1.466
  251   2HB   CYS  35           HB1      CYS  35   1.529  -7.198  -0.372
  252    H    ASN  36           HN       ASN  36  -0.073  -5.958   0.241
  253    HA   ASN  36           HA       ASN  36  -2.451  -5.755  -1.273
  254   1HB   ASN  36           HB2      ASN  36  -1.938  -5.533   1.688
  255   2HB   ASN  36           HB1      ASN  36  -3.561  -5.477   1.000
  256   1HD2  ASN  36          HD22      ASN  36  -1.516  -9.000   1.050
  257   2HD2  ASN  36          HD21      ASN  36  -0.743  -7.550   1.466
  258    H    PHE  37           HN       PHE  37  -0.735  -3.249   0.636
  259    HA   PHE  37           HA       PHE  37  -2.740  -1.221   0.410
  260   1HB   PHE  37           HB2      PHE  37  -0.642  -1.038   1.786
  261   2HB   PHE  37           HB1      PHE  37   0.244  -0.746   0.419
  262    HD1  PHE  37           HD1      PHE  37  -2.843   0.576   1.974
  263    HD2  PHE  37           HD2      PHE  37   0.653   1.263  -0.353
  264    HE1  PHE  37           HE1      PHE  37  -3.420   2.998   1.854
  265    HE2  PHE  37           HE2      PHE  37   0.123   3.696  -0.469
  266    HZ   PHE  37           HZ       PHE  37  -1.924   4.559   0.640
  267    H    CYS  38           HN       CYS  38   0.001  -2.013  -1.569
  268    HA   CYS  38           HA       CYS  38  -0.418  -0.015  -3.577
  269   1HB   CYS  38           HB2      CYS  38   1.137  -2.571  -3.431
  270   2HB   CYS  38           HB1      CYS  38   0.884  -1.821  -5.005
  271    H    ASN  39           HN       ASN  39  -1.825  -3.185  -3.053
  272    HA   ASN  39           HA       ASN  39  -2.917  -3.516  -5.691
  273   1HB   ASN  39           HB2      ASN  39  -3.373  -4.684  -2.975
  274   2HB   ASN  39           HB1      ASN  39  -4.639  -4.898  -4.172
  275   1HD2  ASN  39          HD22      ASN  39  -1.525  -7.303  -4.359
  276   2HD2  ASN  39          HD21      ASN  39  -1.987  -6.433  -2.982
  277    H    ALA  40           HN       ALA  40  -3.907  -1.823  -2.781
  278    HA   ALA  40           HA       ALA  40  -6.571  -1.167  -3.806
  279   1HB   ALA  40           HB2      ALA  40  -5.073  -0.836  -1.317
  280   2HB   ALA  40           HB1      ALA  40  -5.955   0.626  -1.756
  281   3HB   ALA  40           HB3      ALA  40  -6.818  -0.900  -1.568
  282    H    VAL  41           HN       VAL  41  -3.361   0.104  -3.951
  283    HA   VAL  41           HA       VAL  41  -4.124   2.828  -4.653
  284    HB   VAL  41           HB       VAL  41  -1.541   1.258  -4.803
  285   1HG1  VAL  41          HG13      VAL  41  -2.038   4.153  -5.566
  286   2HG1  VAL  41          HG12      VAL  41  -0.450   3.405  -5.405
  287   3HG1  VAL  41          HG11      VAL  41  -1.558   2.859  -6.663
  288   1HG2  VAL  41          HG22      VAL  41  -2.899   2.880  -2.831
  289   2HG2  VAL  41          HG21      VAL  41  -1.422   1.932  -2.659
  290   3HG2  VAL  41          HG23      VAL  41  -1.339   3.596  -3.238
  291    H    VAL  42           HN       VAL  42  -3.364  -0.151  -6.391
  292    HA   VAL  42           HA       VAL  42  -3.474   1.228  -8.981
  293    HB   VAL  42           HB       VAL  42  -1.795  -0.518  -8.660
  294   1HG1  VAL  42          HG12      VAL  42  -4.151  -1.986  -7.615
  295   2HG1  VAL  42          HG11      VAL  42  -3.004  -2.932  -8.563
  296   3HG1  VAL  42          HG13      VAL  42  -2.463  -2.071  -7.123
  297   1HG2  VAL  42          HG22      VAL  42  -3.337  -0.258 -10.816
  298   2HG2  VAL  42          HG21      VAL  42  -2.110  -1.521 -10.702
  299   3HG2  VAL  42          HG23      VAL  42  -3.800  -1.902 -10.371
  300    H    GLU  43           HN       GLU  43  -5.595  -0.442  -6.837
  301    HA   GLU  43           HA       GLU  43  -7.486  -1.123  -9.002
  302   1HB   GLU  43           HB2      GLU  43  -6.935  -2.379  -6.652
  303   2HB   GLU  43           HB1      GLU  43  -8.322  -1.409  -6.175
  304   1HG   GLU  43           HG2      GLU  43  -9.439  -2.284  -8.325
  305   2HG   GLU  43           HG1      GLU  43  -8.153  -3.491  -8.347
  306    H    SER  44           HN       SER  44  -6.745   1.489  -6.962
  307    HA   SER  44           HA       SER  44  -9.531   2.526  -7.193
  308   1HB   SER  44           HB2      SER  44  -8.775   2.497  -4.899
  309   2HB   SER  44           HB1      SER  44  -7.261   3.284  -5.338
  310    HG   SER  44           HG       SER  44  -9.823   4.326  -5.045
  311    H    ASN  45           HN       ASN  45  -7.357   2.570  -9.311
  312    HA   ASN  45           HA       ASN  45  -6.607   4.088 -10.927
  313   1HB   ASN  45           HB2      ASN  45  -8.710   5.773  -9.545
  314   2HB   ASN  45           HB1      ASN  45  -7.798   6.328 -10.942
  315   1HD2  ASN  45          HD22      ASN  45 -10.701   4.876 -12.561
  316   2HD2  ASN  45          HD21      ASN  45 -10.195   6.316 -11.821
  317    H    GLY  46           HN       GLY  46  -5.238   3.790  -8.433
  318   1HA   GLY  46           HA2      GLY  46  -3.609   4.816  -7.103
  319   2HA   GLY  46           HA1      GLY  46  -3.258   5.757  -8.548
  320    H    THR  47           HN       THR  47  -6.408   5.924  -7.079
  321    HA   THR  47           HA       THR  47  -5.965   8.782  -6.502
  322    HB   THR  47           HB       THR  47  -8.383   8.854  -6.098
  323    HG1  THR  47           HG1      THR  47  -9.352   7.109  -5.504
  324   1HG2  THR  47          HG21      THR  47  -7.547   8.898  -8.441
  325   2HG2  THR  47          HG23      THR  47  -7.739   7.148  -8.519
  326   3HG2  THR  47          HG22      THR  47  -9.154   8.181  -8.316
  327    H    LEU  48           HN       LEU  48  -5.857   5.778  -4.879
  328    HA   LEU  48           HA       LEU  48  -6.589   6.788  -2.249
  329   1HB   LEU  48           HB2      LEU  48  -6.982   4.525  -2.302
  330   2HB   LEU  48           HB1      LEU  48  -5.712   4.229  -3.482
  331    HG   LEU  48           HG       LEU  48  -4.022   4.603  -1.649
  332   1HD1  LEU  48          HD13      LEU  48  -5.562   5.937  -0.205
  333   2HD1  LEU  48          HD12      LEU  48  -6.471   4.463   0.125
  334   3HD1  LEU  48          HD11      LEU  48  -4.794   4.601   0.652
  335   1HD2  LEU  48          HD23      LEU  48  -5.460   2.379  -2.337
  336   2HD2  LEU  48          HD22      LEU  48  -4.074   2.377  -1.246
  337   3HD2  LEU  48          HD21      LEU  48  -5.710   2.440  -0.592
  338    H    THR  49           HN       THR  49  -5.180   7.684  -0.790
  339    HA   THR  49           HA       THR  49  -2.271   7.381  -1.320
  340    HB   THR  49           HB       THR  49  -2.053   9.802  -0.518
  341    HG1  THR  49           HG1      THR  49  -3.826  10.904  -0.321
  342   1HG2  THR  49          HG21      THR  49  -2.062   8.675  -2.974
  343   2HG2  THR  49          HG23      THR  49  -3.373   9.838  -3.170
  344   3HG2  THR  49          HG22      THR  49  -1.765  10.393  -2.702
  345    H    LEU  50           HN       LEU  50  -1.325   6.658   0.445
  346    HA   LEU  50           HA       LEU  50  -2.702   6.306   2.898
  347   1HB   LEU  50           HB2      LEU  50  -1.048   4.763   2.922
  348   2HB   LEU  50           HB1      LEU  50  -0.189   5.603   1.647
  349    HG   LEU  50           HG       LEU  50   0.209   7.026   4.127
  350   1HD1  LEU  50          HD11      LEU  50   0.454   4.047   4.141
  351   2HD1  LEU  50          HD13      LEU  50   1.537   5.037   5.115
  352   3HD1  LEU  50          HD12      LEU  50  -0.207   5.105   5.383
  353   1HD2  LEU  50          HD22      LEU  50   1.631   6.096   1.827
  354   2HD2  LEU  50          HD21      LEU  50   2.173   7.257   3.038
  355   3HD2  LEU  50          HD23      LEU  50   2.492   5.537   3.262
  356    H    SER  51           HN       SER  51  -1.873   7.181   5.023
  357    HA   SER  51           HA       SER  51  -1.287  10.096   4.716
  358   1HB   SER  51           HB2      SER  51  -3.439   8.935   6.024
  359   2HB   SER  51           HB1      SER  51  -2.297   9.143   7.295
  360    HG   SER  51           HG       SER  51  -3.562  11.041   5.711
  361    H    HIS  52           HN       HIS  52  -0.298   7.081   6.095
  362    HA   HIS  52           HA       HIS  52   2.294   8.100   6.848
  363   1HB   HIS  52           HB2      HIS  52   2.077   7.823   9.280
  364   2HB   HIS  52           HB1      HIS  52   0.950   9.045   8.702
  365    HD1  HIS  52           HD1      HIS  52   0.855   6.572  11.078
  366    HD2  HIS  52           HD2      HIS  52  -1.551   7.182   7.715
  367    HE1  HIS  52           HE1      HIS  52  -1.274   5.255  11.458
  368    H    PHE  53           HN       PHE  53   3.664   6.384   7.535
  369    HA   PHE  53           HA       PHE  53   2.898   3.767   6.606
  370   1HB   PHE  53           HB2      PHE  53   5.262   4.769   8.208
  371   2HB   PHE  53           HB1      PHE  53   5.077   3.078   7.744
  372    HD1  PHE  53           HD2      PHE  53   5.373   6.540   6.425
  373    HD2  PHE  53           HD1      PHE  53   5.486   2.345   5.502
  374    HE1  PHE  53           HE2      PHE  53   6.260   7.060   4.170
  375    HE2  PHE  53           HE1      PHE  53   6.378   2.866   3.246
  376    HZ   PHE  53           HZ       PHE  53   6.765   5.223   2.581
  377    H    GLY  54           HN       GLY  54   3.157   1.819   8.154
  378   1HA   GLY  54           HA2      GLY  54   2.660   0.752  10.220
  379   2HA   GLY  54           HA1      GLY  54   2.346   2.325  10.925
  380    H    LYS  55           HN       LYS  55   0.437   0.978  11.771
  381    HA   LYS  55           HA       LYS  55  -1.758   0.710   9.803
  382   1HB   LYS  55           HB2      LYS  55  -2.150   0.232  12.725
  383   2HB   LYS  55           HB1      LYS  55  -2.870  -0.617  11.372
  384   1HG   LYS  55           HG2      LYS  55  -1.372  -2.182  12.221
  385   2HG   LYS  55           HG1      LYS  55  -0.468  -1.496  10.889
  386   1HD   LYS  55           HD2      LYS  55   1.121  -0.718  12.308
  387   2HD   LYS  55           HD1      LYS  55  -0.091   0.001  13.370
  388   1HE   LYS  55           HE2      LYS  55   0.772  -1.608  14.790
  389   2HE   LYS  55           HE1      LYS  55  -0.519  -2.539  14.028
  390   1HZ   LYS  55           HZ1      LYS  55   1.144  -3.283  12.370
  391   2HZ   LYS  55           HZ3      LYS  55   2.354  -2.521  13.282
  392   3HZ   LYS  55           HZ2      LYS  55   1.476  -3.813  13.951
  393    H    CYS  56           HN       CYS  56  -3.402   2.222   9.710
  394    HA   CYS  56           HA       CYS  56  -3.096   4.787  10.889
  395   1HB   CYS  56           HB2      CYS  56  -4.836   3.583   9.028
  396   2HB   CYS  56           HB1      CYS  56  -5.873   4.205  10.311
   
  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           HT3      LEU   1   9.231  19.302   0.149
    2   2H    LEU   1           HT2      LEU   1  10.547  18.260   0.415
    3   3H    LEU   1           HT1      LEU   1   9.768  18.283  -1.095
    4    HA   LEU   1           HA       LEU   1   8.881  16.396  -0.156
    5   1HB   LEU   1           HB2      LEU   1   9.958  17.236   2.134
    6   2HB   LEU   1           HB1      LEU   1   8.290  17.703   2.468
    7    HG   LEU   1           HG       LEU   1   8.334  15.067   1.303
    8   1HD1  LEU   1          HD11      LEU   1  10.641  15.565   2.806
    9   2HD1  LEU   1          HD13      LEU   1   9.555  14.745   3.928
   10   3HD1  LEU   1          HD12      LEU   1   9.983  13.980   2.397
   11   1HD2  LEU   1          HD23      LEU   1   6.773  16.438   3.015
   12   2HD2  LEU   1          HD22      LEU   1   6.787  14.674   2.965
   13   3HD2  LEU   1          HD21      LEU   1   7.729  15.530   4.187
   14    H    ALA   2           HN       ALA   2   6.607  15.883   0.025
   15    HA   ALA   2           HA       ALA   2   4.591  17.852   0.571
   16   1HB   ALA   2           HB2      ALA   2   5.629  17.668  -2.205
   17   2HB   ALA   2           HB1      ALA   2   3.873  17.682  -2.037
   18   3HB   ALA   2           HB3      ALA   2   4.831  19.012  -1.388
   19    H    ALA   3           HN       ALA   3   4.839  15.365  -1.997
   20    HA   ALA   3           HA       ALA   3   2.423  14.068  -0.907
   21   1HB   ALA   3           HB1      ALA   3   4.130  13.523  -3.350
   22   2HB   ALA   3           HB3      ALA   3   2.729  12.548  -2.906
   23   3HB   ALA   3           HB2      ALA   3   2.524  14.253  -3.311
   24    H    VAL   4           HN       VAL   4   2.468  12.230   0.322
   25    HA   VAL   4           HA       VAL   4   5.088  10.805   0.566
   26    HB   VAL   4           HB       VAL   4   3.069  11.115   2.797
   27   1HG1  VAL   4          HG13      VAL   4   5.840  10.006   2.492
   28   2HG1  VAL   4          HG12      VAL   4   5.354  10.685   4.046
   29   3HG1  VAL   4          HG11      VAL   4   4.458   9.331   3.356
   30   1HG2  VAL   4          HG22      VAL   4   3.938  13.340   2.093
   31   2HG2  VAL   4          HG21      VAL   4   4.522  12.882   3.693
   32   3HG2  VAL   4          HG23      VAL   4   5.584  12.738   2.293
   33    H    SER   5           HN       SER   5   4.766   8.884  -0.464
   34    HA   SER   5           HA       SER   5   2.839   6.993   0.542
   35   1HB   SER   5           HB2      SER   5   2.061   7.119  -2.191
   36   2HB   SER   5           HB1      SER   5   1.065   7.422  -0.770
   37    HG   SER   5           HG       SER   5   2.451   9.207  -2.424
   38    H    VAL   6           HN       VAL   6   2.669   5.262  -1.632
   39    HA   VAL   6           HA       VAL   6   5.539   4.844  -2.359
   40    HB   VAL   6           HB       VAL   6   4.797   3.270  -0.583
   41   1HG1  VAL   6          HG11      VAL   6   2.640   2.770  -2.612
   42   2HG1  VAL   6          HG13      VAL   6   3.149   1.454  -1.554
   43   3HG1  VAL   6          HG12      VAL   6   2.505   2.943  -0.863
   44   1HG2  VAL   6          HG22      VAL   6   6.464   2.608  -2.339
   45   2HG2  VAL   6          HG21      VAL   6   5.552   1.241  -1.698
   46   3HG2  VAL   6          HG23      VAL   6   5.141   1.913  -3.276
   47    H    ASP   7           HN       ASP   7   5.895   3.880  -4.439
   48    HA   ASP   7           HA       ASP   7   3.719   4.410  -6.350
   49   1HB   ASP   7           HB2      ASP   7   6.068   5.070  -6.860
   50   2HB   ASP   7           HB1      ASP   7   6.526   3.366  -6.841
   51    H    CYS   8           HN       CYS   8   2.624   2.820  -7.515
   52    HA   CYS   8           HA       CYS   8   3.398  -0.013  -7.084
   53   1HB   CYS   8           HB2      CYS   8   0.543   0.909  -6.746
   54   2HB   CYS   8           HB1      CYS   8   1.257  -0.632  -6.283
   55    H    SER   9           HN       SER   9   3.988   0.788  -9.443
   56    HA   SER   9           HA       SER   9   1.649   0.807 -11.246
   57   1HB   SER   9           HB2      SER   9   3.651   2.318 -11.584
   58   2HB   SER   9           HB1      SER   9   4.585   0.879 -11.986
   59    HG   SER   9           HG       SER   9   2.995   2.294 -13.554
   60    H    GLU  10           HN       GLU  10   2.870  -1.638  -9.663
   61    HA   GLU  10           HA       GLU  10   2.917  -3.446 -12.050
   62   1HB   GLU  10           HB2      GLU  10   4.437  -4.909 -10.847
   63   2HB   GLU  10           HB1      GLU  10   5.114  -3.280 -10.847
   64   1HG   GLU  10           HG2      GLU  10   3.323  -3.776  -8.577
   65   2HG   GLU  10           HG1      GLU  10   4.724  -4.846  -8.599
   66    H    TYR  11           HN       TYR  11   1.300  -2.592  -9.204
   67    HA   TYR  11           HA       TYR  11   0.277  -5.216  -8.554
   68   1HB   TYR  11           HB2      TYR  11  -0.441  -2.413  -7.653
   69   2HB   TYR  11           HB1      TYR  11  -1.135  -3.874  -6.952
   70    HD1  TYR  11           HD2      TYR  11   2.013  -1.995  -7.501
   71    HD2  TYR  11           HD1      TYR  11   0.152  -5.288  -5.463
   72    HE1  TYR  11           HE2      TYR  11   4.034  -2.266  -6.093
   73    HE2  TYR  11           HE1      TYR  11   2.184  -5.563  -4.054
   74    HH   TYR  11           HH       TYR  11   5.049  -3.510  -4.555
   75    HA   PRO  12           HA       PRO  12  -1.811  -5.495  -7.405
   76   1HB   PRO  12           HB2      PRO  12  -3.368  -7.702  -7.949
   77   2HB   PRO  12           HB1      PRO  12  -4.029  -6.129  -7.467
   78   1HG   PRO  12           HG2      PRO  12  -3.972  -7.393 -10.175
   79   2HG   PRO  12           HG1      PRO  12  -5.131  -6.234  -9.502
   80   1HD   PRO  12           HD2      PRO  12  -3.035  -5.596 -11.267
   81   2HD   PRO  12           HD1      PRO  12  -3.956  -4.451 -10.328
   82    H    LYS  13           HN       LYS  13  -1.314  -7.922  -6.775
   83    HA   LYS  13           HA       LYS  13   0.551  -9.120  -8.777
   84   1HB   LYS  13           HB2      LYS  13   1.219  -7.806  -6.318
   85   2HB   LYS  13           HB1      LYS  13   1.575  -9.524  -6.151
   86   1HG   LYS  13           HG2      LYS  13   2.687  -9.284  -8.495
   87   2HG   LYS  13           HG1      LYS  13   2.679  -7.555  -8.143
   88   1HD   LYS  13           HD2      LYS  13   4.764  -8.237  -7.308
   89   2HD   LYS  13           HD1      LYS  13   3.744  -8.252  -5.869
   90   1HE   LYS  13           HE2      LYS  13   4.677 -10.353  -5.674
   91   2HE   LYS  13           HE1      LYS  13   3.288 -10.758  -6.681
   92   1HZ   LYS  13           HZ1      LYS  13   5.825  -9.929  -7.923
   93   2HZ   LYS  13           HZ3      LYS  13   5.623 -11.528  -7.396
   94   3HZ   LYS  13           HZ2      LYS  13   4.577 -10.883  -8.569
   95    HA   PRO  14           HA       PRO  14  -1.494 -12.825  -7.484
   96   1HB   PRO  14           HB2      PRO  14   0.264 -14.607  -8.621
   97   2HB   PRO  14           HB1      PRO  14  -0.934 -13.686  -9.547
   98   1HG   PRO  14           HG2      PRO  14   2.013 -13.281  -9.363
   99   2HG   PRO  14           HG1      PRO  14   0.901 -12.849 -10.671
  100   1HD   PRO  14           HD2      PRO  14   1.979 -11.070  -8.778
  101   2HD   PRO  14           HD1      PRO  14   0.621 -10.736  -9.833
  102    H    ALA  15           HN       ALA  15   0.982 -11.568  -5.958
  103    HA   ALA  15           HA       ALA  15   1.050 -13.475  -3.819
  104   1HB   ALA  15           HB3      ALA  15   3.337 -13.464  -5.784
  105   2HB   ALA  15           HB2      ALA  15   3.611 -13.867  -4.089
  106   3HB   ALA  15           HB1      ALA  15   2.512 -14.845  -5.063
  107    H    CYS  16           HN       CYS  16   1.136 -12.028  -2.165
  108    HA   CYS  16           HA       CYS  16   2.385  -9.414  -2.548
  109   1HB   CYS  16           HB2      CYS  16   0.907 -10.717  -0.258
  110   2HB   CYS  16           HB1      CYS  16   1.710  -9.161  -0.074
  111    H    THR  17           HN       THR  17   4.062  -8.571  -1.102
  112    HA   THR  17           HA       THR  17   6.384 -10.102  -0.971
  113    HB   THR  17           HB       THR  17   6.773  -8.439   1.129
  114    HG1  THR  17           HG1      THR  17   5.507  -6.621   0.787
  115   1HG2  THR  17          HG23      THR  17   7.908  -8.538  -1.140
  116   2HG2  THR  17          HG22      THR  17   6.647  -7.449  -1.719
  117   3HG2  THR  17          HG21      THR  17   7.747  -6.926  -0.443
  118    H    LEU  18           HN       LEU  18   3.746 -10.067   1.103
  119    HA   LEU  18           HA       LEU  18   3.065 -11.518   2.766
  120   1HB   LEU  18           HB2      LEU  18   5.187 -12.857   1.414
  121   2HB   LEU  18           HB1      LEU  18   5.345 -13.113   3.139
  122    HG   LEU  18           HG       LEU  18   2.674 -13.350   1.816
  123   1HD1  LEU  18          HD13      LEU  18   4.861 -14.908   1.064
  124   2HD1  LEU  18          HD12      LEU  18   4.032 -15.903   2.261
  125   3HD1  LEU  18          HD11      LEU  18   3.164 -15.333   0.835
  126   1HD2  LEU  18          HD22      LEU  18   3.390 -13.406   4.427
  127   2HD2  LEU  18          HD21      LEU  18   2.024 -14.326   3.794
  128   3HD2  LEU  18          HD23      LEU  18   3.583 -15.115   4.036
  129    H    GLU  19           HN       GLU  19   5.898  -9.571   2.969
  130    HA   GLU  19           HA       GLU  19   6.475 -10.160   5.757
  131   1HB   GLU  19           HB2      GLU  19   8.083  -8.440   5.637
  132   2HB   GLU  19           HB1      GLU  19   8.069  -9.098   4.004
  133   1HG   GLU  19           HG2      GLU  19   6.061  -7.045   4.179
  134   2HG   GLU  19           HG1      GLU  19   7.578  -6.417   4.811
  135    H    TYR  20           HN       TYR  20   6.483  -7.688   6.966
  136    HA   TYR  20           HA       TYR  20   3.604  -6.926   6.786
  137   1HB   TYR  20           HB2      TYR  20   4.292  -8.271   8.839
  138   2HB   TYR  20           HB1      TYR  20   5.120  -6.813   9.380
  139    HD1  TYR  20           HD2      TYR  20   1.922  -7.350   7.510
  140    HD2  TYR  20           HD1      TYR  20   3.800  -5.793  11.045
  141    HE1  TYR  20           HE2      TYR  20  -0.248  -6.407   8.240
  142    HE2  TYR  20           HE1      TYR  20   1.626  -4.848  11.781
  143    HH   TYR  20           HH       TYR  20  -1.072  -5.675  11.065
  144    H    ARG  21           HN       ARG  21   3.279  -4.970   6.301
  145    HA   ARG  21           HA       ARG  21   4.831  -2.719   7.380
  146   1HB   ARG  21           HB2      ARG  21   4.884  -3.519   4.469
  147   2HB   ARG  21           HB1      ARG  21   4.968  -1.814   4.910
  148   1HG   ARG  21           HG2      ARG  21   6.785  -3.649   6.382
  149   2HG   ARG  21           HG1      ARG  21   7.160  -3.368   4.686
  150   1HD   ARG  21           HD2      ARG  21   8.240  -1.530   5.490
  151   2HD   ARG  21           HD1      ARG  21   6.623  -0.827   5.509
  152    HE   ARG  21           HE       ARG  21   6.526  -1.620   7.938
  153   1HH1  ARG  21          HH21      ARG  21   9.425  -2.774   7.260
  154   2HH1  ARG  21          HH22      ARG  21  10.363  -1.710   8.254
  155   1HH2  ARG  21          HH11      ARG  21   7.756   0.510   8.799
  156   2HH2  ARG  21          HH12      ARG  21   9.420   0.150   9.122
  157    HA   PRO  22           HA       PRO  22   0.274  -2.350   6.805
  158   1HB   PRO  22           HB2      PRO  22  -0.130  -1.090   9.222
  159   2HB   PRO  22           HB1      PRO  22  -0.181  -2.853   8.979
  160   1HG   PRO  22           HG2      PRO  22   2.008  -1.172  10.156
  161   2HG   PRO  22           HG1      PRO  22   1.540  -2.838  10.544
  162   1HD   PRO  22           HD2      PRO  22   3.732  -2.173   8.968
  163   2HD   PRO  22           HD1      PRO  22   2.885  -3.735   8.888
  164    H    LEU  23           HN       LEU  23  -0.092  -0.746   5.335
  165    HA   LEU  23           HA       LEU  23   0.873   1.994   6.059
  166   1HB   LEU  23           HB2      LEU  23  -0.118   1.203   3.332
  167   2HB   LEU  23           HB1      LEU  23   1.036   2.461   3.771
  168    HG   LEU  23           HG       LEU  23   1.762  -0.358   4.435
  169   1HD1  LEU  23          HD12      LEU  23   1.252   0.672   1.731
  170   2HD1  LEU  23          HD11      LEU  23   2.829  -0.079   1.953
  171   3HD1  LEU  23          HD13      LEU  23   1.361  -0.993   2.302
  172   1HD2  LEU  23          HD21      LEU  23   3.124   2.208   3.663
  173   2HD2  LEU  23          HD23      LEU  23   3.382   1.204   5.090
  174   3HD2  LEU  23          HD22      LEU  23   3.978   0.671   3.518
  175    H    CYS  24           HN       CYS  24  -0.706   3.362   6.753
  176    HA   CYS  24           HA       CYS  24  -3.513   2.574   6.486
  177   1HB   CYS  24           HB2      CYS  24  -2.014   4.682   7.970
  178   2HB   CYS  24           HB1      CYS  24  -3.669   5.050   7.576
  179    H    GLY  25           HN       GLY  25  -4.276   2.744   4.452
  180   1HA   GLY  25           HA2      GLY  25  -3.429   4.449   2.440
  181   2HA   GLY  25           HA1      GLY  25  -5.010   3.803   2.496
  182    H    SER  26           HN       SER  26  -5.334   6.088   1.439
  183    HA   SER  26           HA       SER  26  -5.379   8.324   3.314
  184   1HB   SER  26           HB2      SER  26  -5.277   9.036   1.079
  185   2HB   SER  26           HB1      SER  26  -6.482   7.870   0.543
  186    HG   SER  26           HG       SER  26  -6.790  10.389   1.551
  187    H    ASP  27           HN       ASP  27  -7.672   5.873   2.254
  188    HA   ASP  27           HA       ASP  27 -10.017   7.062   3.413
  189   1HB   ASP  27           HB2      ASP  27 -11.017   4.852   3.175
  190   2HB   ASP  27           HB1      ASP  27 -10.043   5.194   1.746
  191    H    ASN  28           HN       ASN  28  -7.241   5.699   4.810
  192    HA   ASN  28           HA       ASN  28  -6.712   5.654   7.107
  193   1HB   ASN  28           HB2      ASN  28  -8.175   6.445   8.659
  194   2HB   ASN  28           HB1      ASN  28  -9.100   6.956   7.257
  195   1HD2  ASN  28          HD22      ASN  28 -11.169   4.829   9.686
  196   2HD2  ASN  28          HD21      ASN  28 -10.098   6.113   9.978
  197    H    LYS  29           HN       LYS  29  -7.412   3.415   5.210
  198    HA   LYS  29           HA       LYS  29  -8.227   1.327   7.159
  199   1HB   LYS  29           HB2      LYS  29  -9.456   1.156   5.122
  200   2HB   LYS  29           HB1      LYS  29  -8.011   1.394   4.141
  201   1HG   LYS  29           HG2      LYS  29  -7.538  -0.796   4.173
  202   2HG   LYS  29           HG1      LYS  29  -7.662  -0.849   5.931
  203   1HD   LYS  29           HD2      LYS  29  -9.453  -2.200   5.479
  204   2HD   LYS  29           HD1      LYS  29 -10.286  -0.656   5.293
  205   1HE   LYS  29           HE2      LYS  29  -9.706  -0.707   2.851
  206   2HE   LYS  29           HE1      LYS  29  -9.056  -2.330   3.086
  207   1HZ   LYS  29           HZ2      LYS  29 -11.661  -2.051   4.212
  208   2HZ   LYS  29           HZ1      LYS  29 -11.660  -1.687   2.552
  209   3HZ   LYS  29           HZ3      LYS  29 -11.087  -3.191   3.090
  210    H    THR  30           HN       THR  30  -6.791  -0.376   7.677
  211    HA   THR  30           HA       THR  30  -3.951   0.217   7.157
  212    HB   THR  30           HB       THR  30  -5.155  -2.052   8.768
  213    HG1  THR  30           HG1      THR  30  -5.114  -0.710  10.460
  214   1HG2  THR  30          HG21      THR  30  -2.448  -1.240   8.065
  215   2HG2  THR  30          HG23      THR  30  -2.686  -1.270   9.813
  216   3HG2  THR  30          HG22      THR  30  -3.002  -2.716   8.855
  217    H    TYR  31           HN       TYR  31  -2.761  -0.808   5.631
  218    HA   TYR  31           HA       TYR  31  -3.966  -3.170   4.287
  219   1HB   TYR  31           HB2      TYR  31  -2.006  -1.065   3.303
  220   2HB   TYR  31           HB1      TYR  31  -2.116  -2.633   2.564
  221    HD1  TYR  31           HD1      TYR  31  -3.970   0.457   3.308
  222    HD2  TYR  31           HD2      TYR  31  -4.056  -3.333   1.290
  223    HE1  TYR  31           HE1      TYR  31  -6.010   1.154   2.080
  224    HE2  TYR  31           HE2      TYR  31  -6.091  -2.636   0.062
  225    HH   TYR  31           HH       TYR  31  -8.080  -0.583   0.823
  226    H    GLY  32           HN       GLY  32  -3.142  -5.059   4.932
  227   1HA   GLY  32           HA2      GLY  32  -1.404  -5.660   6.838
  228   2HA   GLY  32           HA1      GLY  32  -1.447  -6.668   5.413
  229    H    ASN  33           HN       ASN  33  -0.191  -4.909   3.544
  230    HA   ASN  33           HA       ASN  33   2.321  -4.039   4.775
  231   1HB   ASN  33           HB2      ASN  33   3.737  -5.549   3.439
  232   2HB   ASN  33           HB1      ASN  33   2.698  -6.454   4.531
  233   1HD2  ASN  33          HD22      ASN  33   2.473  -7.884   1.045
  234   2HD2  ASN  33          HD21      ASN  33   3.788  -7.550   2.063
  235    H    LYS  34           HN       LYS  34   3.849  -4.002   2.411
  236    HA   LYS  34           HA       LYS  34   2.713  -1.699   1.123
  237   1HB   LYS  34           HB2      LYS  34   4.727  -1.623  -0.145
  238   2HB   LYS  34           HB1      LYS  34   5.203  -2.278   1.421
  239   1HG   LYS  34           HG2      LYS  34   5.177  -4.544   0.549
  240   2HG   LYS  34           HG1      LYS  34   4.511  -3.986  -0.987
  241   1HD   LYS  34           HD2      LYS  34   6.807  -2.422  -0.588
  242   2HD   LYS  34           HD1      LYS  34   7.278  -4.058  -0.124
  243   1HE   LYS  34           HE2      LYS  34   6.381  -4.915  -2.268
  244   2HE   LYS  34           HE1      LYS  34   5.950  -3.272  -2.738
  245   1HZ   LYS  34           HZ1      LYS  34   8.506  -2.950  -2.075
  246   2HZ   LYS  34           HZ3      LYS  34   8.555  -4.550  -2.636
  247   3HZ   LYS  34           HZ2      LYS  34   7.990  -3.312  -3.652
  248    H    CYS  35           HN       CYS  35   2.704  -5.125   0.356
  249    HA   CYS  35           HA       CYS  35   1.961  -4.811  -2.399
  250   1HB   CYS  35           HB2      CYS  35   2.820  -6.942  -1.657
  251   2HB   CYS  35           HB1      CYS  35   1.566  -7.077  -0.432
  252    H    ASN  36           HN       ASN  36   0.015  -5.791   0.414
  253    HA   ASN  36           HA       ASN  36  -2.511  -5.622  -0.795
  254   1HB   ASN  36           HB2      ASN  36  -1.559  -5.270   2.033
  255   2HB   ASN  36           HB1      ASN  36  -3.253  -4.983   1.637
  256   1HD2  ASN  36          HD22      ASN  36  -1.771  -8.795   1.553
  257   2HD2  ASN  36          HD21      ASN  36  -0.729  -7.475   1.731
  258    H    PHE  37           HN       PHE  37  -0.602  -3.010   0.726
  259    HA   PHE  37           HA       PHE  37  -2.614  -0.976   0.481
  260   1HB   PHE  37           HB2      PHE  37  -0.547  -0.668   1.796
  261   2HB   PHE  37           HB1      PHE  37   0.393  -0.645   0.448
  262    HD1  PHE  37           HD1      PHE  37  -2.802   1.010   1.342
  263    HD2  PHE  37           HD2      PHE  37   1.136   1.315  -0.250
  264    HE1  PHE  37           HE1      PHE  37  -3.193   3.428   0.876
  265    HE2  PHE  37           HE2      PHE  37   0.785   3.740  -0.706
  266    HZ   PHE  37           HZ       PHE  37  -1.393   4.793  -0.136
  267    H    CYS  38           HN       CYS  38   0.101  -1.823  -1.489
  268    HA   CYS  38           HA       CYS  38  -0.266   0.029  -3.598
  269   1HB   CYS  38           HB2      CYS  38   1.159  -2.580  -3.314
  270   2HB   CYS  38           HB1      CYS  38   0.915  -1.937  -4.935
  271    H    ASN  39           HN       ASN  39  -1.905  -2.983  -2.908
  272    HA   ASN  39           HA       ASN  39  -2.981  -3.373  -5.559
  273   1HB   ASN  39           HB2      ASN  39  -3.392  -4.497  -2.853
  274   2HB   ASN  39           HB1      ASN  39  -4.827  -4.488  -3.860
  275   1HD2  ASN  39          HD22      ASN  39  -1.634  -6.598  -5.253
  276   2HD2  ASN  39          HD21      ASN  39  -1.345  -5.185  -4.373
  277    H    ALA  40           HN       ALA  40  -3.922  -1.588  -2.685
  278    HA   ALA  40           HA       ALA  40  -6.526  -0.780  -3.686
  279   1HB   ALA  40           HB3      ALA  40  -5.439  -0.793  -1.230
  280   2HB   ALA  40           HB2      ALA  40  -5.062   0.869  -1.677
  281   3HB   ALA  40           HB1      ALA  40  -6.737   0.318  -1.667
  282    H    VAL  41           HN       VAL  41  -3.255   0.291  -4.036
  283    HA   VAL  41           HA       VAL  41  -3.923   2.990  -4.933
  284    HB   VAL  41           HB       VAL  41  -1.388   1.338  -5.018
  285   1HG1  VAL  41          HG13      VAL  41  -1.875   4.210  -5.864
  286   2HG1  VAL  41          HG12      VAL  41  -0.280   3.483  -5.664
  287   3HG1  VAL  41          HG11      VAL  41  -1.374   2.878  -6.907
  288   1HG2  VAL  41          HG21      VAL  41  -2.383   2.267  -2.820
  289   2HG2  VAL  41          HG23      VAL  41  -0.698   2.652  -3.169
  290   3HG2  VAL  41          HG22      VAL  41  -1.954   3.858  -3.449
  291    H    VAL  42           HN       VAL  42  -3.177  -0.126  -6.437
  292    HA   VAL  42           HA       VAL  42  -3.251   1.066  -9.104
  293    HB   VAL  42           HB       VAL  42  -1.619  -0.676  -8.699
  294   1HG1  VAL  42          HG11      VAL  42  -3.917  -1.994  -7.413
  295   2HG1  VAL  42          HG13      VAL  42  -2.933  -3.060  -8.415
  296   3HG1  VAL  42          HG12      VAL  42  -2.192  -2.164  -7.090
  297   1HG2  VAL  42          HG21      VAL  42  -3.557  -0.706 -10.723
  298   2HG2  VAL  42          HG23      VAL  42  -1.956  -1.441 -10.772
  299   3HG2  VAL  42          HG22      VAL  42  -3.346  -2.389 -10.243
  300    H    GLU  43           HN       GLU  43  -5.488  -0.231  -6.882
  301    HA   GLU  43           HA       GLU  43  -7.363  -1.083  -8.998
  302   1HB   GLU  43           HB2      GLU  43  -8.861  -1.542  -7.024
  303   2HB   GLU  43           HB1      GLU  43  -7.419  -2.519  -7.040
  304   1HG   GLU  43           HG2      GLU  43  -7.138  -1.802  -4.949
  305   2HG   GLU  43           HG1      GLU  43  -6.705  -0.237  -5.637
  306    H    SER  44           HN       SER  44  -6.798   1.475  -6.661
  307    HA   SER  44           HA       SER  44  -9.328   2.820  -7.314
  308   1HB   SER  44           HB2      SER  44  -8.930   4.093  -5.455
  309   2HB   SER  44           HB1      SER  44  -7.776   2.820  -5.075
  310    HG   SER  44           HG       SER  44  -6.152   4.084  -5.709
  311    H    ASN  45           HN       ASN  45  -6.643   2.419  -9.051
  312    HA   ASN  45           HA       ASN  45  -5.893   3.580 -10.962
  313   1HB   ASN  45           HB2      ASN  45  -8.362   4.698 -10.589
  314   2HB   ASN  45           HB1      ASN  45  -7.317   6.093 -10.340
  315   1HD2  ASN  45          HD22      ASN  45  -8.073   5.612 -14.031
  316   2HD2  ASN  45          HD21      ASN  45  -9.079   5.678 -12.665
  317    H    GLY  46           HN       GLY  46  -5.307   4.148  -7.850
  318   1HA   GLY  46           HA2      GLY  46  -3.295   5.046  -6.949
  319   2HA   GLY  46           HA1      GLY  46  -3.036   5.932  -8.449
  320    H    THR  47           HN       THR  47  -6.220   6.250  -7.334
  321    HA   THR  47           HA       THR  47  -5.657   9.034  -6.497
  322    HB   THR  47           HB       THR  47  -7.553   8.367  -8.096
  323    HG1  THR  47           HG1      THR  47  -9.023   9.819  -6.936
  324   1HG2  THR  47          HG22      THR  47  -8.169   6.480  -6.310
  325   2HG2  THR  47          HG21      THR  47  -9.175   7.775  -5.662
  326   3HG2  THR  47          HG23      THR  47  -9.403   7.228  -7.324
  327    H    LEU  48           HN       LEU  48  -5.459   6.217  -4.954
  328    HA   LEU  48           HA       LEU  48  -7.099   6.709  -2.615
  329   1HB   LEU  48           HB2      LEU  48  -6.742   4.444  -3.004
  330   2HB   LEU  48           HB1      LEU  48  -5.086   4.695  -3.537
  331    HG   LEU  48           HG       LEU  48  -4.643   5.374  -1.054
  332   1HD1  LEU  48          HD12      LEU  48  -7.421   4.387  -1.044
  333   2HD1  LEU  48          HD11      LEU  48  -6.381   3.715   0.212
  334   3HD1  LEU  48          HD13      LEU  48  -6.602   5.461   0.090
  335   1HD2  LEU  48          HD22      LEU  48  -4.720   2.866  -2.474
  336   2HD2  LEU  48          HD21      LEU  48  -3.571   3.408  -1.252
  337   3HD2  LEU  48          HD23      LEU  48  -5.060   2.597  -0.764
  338    H    THR  49           HN       THR  49  -3.623   6.206  -2.774
  339    HA   THR  49           HA       THR  49  -1.834   7.250  -1.736
  340    HB   THR  49           HB       THR  49  -1.850   9.564  -1.511
  341    HG1  THR  49           HG1      THR  49  -3.404  10.387  -0.395
  342   1HG2  THR  49          HG22      THR  49  -2.622   8.501  -3.789
  343   2HG2  THR  49          HG21      THR  49  -4.095   9.409  -3.443
  344   3HG2  THR  49          HG23      THR  49  -2.550  10.250  -3.575
  345    H    LEU  50           HN       LEU  50  -1.111   7.310   0.344
  346    HA   LEU  50           HA       LEU  50  -3.204   6.738   2.351
  347   1HB   LEU  50           HB2      LEU  50  -1.864   5.110   3.102
  348   2HB   LEU  50           HB1      LEU  50  -0.915   5.379   1.654
  349    HG   LEU  50           HG       LEU  50  -0.321   7.080   4.045
  350   1HD1  LEU  50          HD13      LEU  50   0.380   4.176   3.691
  351   2HD1  LEU  50          HD12      LEU  50   1.151   5.250   4.858
  352   3HD1  LEU  50          HD11      LEU  50  -0.570   4.882   4.995
  353   1HD2  LEU  50          HD21      LEU  50   0.877   6.345   1.507
  354   2HD2  LEU  50          HD23      LEU  50   1.381   7.598   2.643
  355   3HD2  LEU  50          HD22      LEU  50   1.963   5.944   2.838
  356    H    SER  51           HN       SER  51  -2.524   7.332   4.651
  357    HA   SER  51           HA       SER  51  -1.939  10.237   4.697
  358   1HB   SER  51           HB2      SER  51  -2.688   9.784   7.168
  359   2HB   SER  51           HB1      SER  51  -3.881   9.780   5.936
  360    HG   SER  51           HG       SER  51  -4.296   7.816   6.406
  361    H    HIS  52           HN       HIS  52  -1.081   7.201   6.288
  362    HA   HIS  52           HA       HIS  52   1.683   8.165   6.714
  363   1HB   HIS  52           HB2      HIS  52   1.608   7.764   9.125
  364   2HB   HIS  52           HB1      HIS  52   0.401   8.970   8.685
  365    HD1  HIS  52           HD1      HIS  52   0.650   6.133  10.747
  366    HD2  HIS  52           HD2      HIS  52  -2.196   7.297   7.942
  367    HE1  HIS  52           HE1      HIS  52  -1.465   4.848  11.258
  368    H    PHE  53           HN       PHE  53   3.100   6.450   7.386
  369    HA   PHE  53           HA       PHE  53   2.307   3.834   6.365
  370   1HB   PHE  53           HB2      PHE  53   4.843   4.874   7.656
  371   2HB   PHE  53           HB1      PHE  53   4.649   3.204   7.124
  372    HD1  PHE  53           HD2      PHE  53   4.315   6.728   5.901
  373    HD2  PHE  53           HD1      PHE  53   5.098   2.626   4.895
  374    HE1  PHE  53           HE2      PHE  53   4.863   7.402   3.578
  375    HE2  PHE  53           HE1      PHE  53   5.646   3.300   2.573
  376    HZ   PHE  53           HZ       PHE  53   5.530   5.687   1.914
  377    H    GLY  54           HN       GLY  54   3.002   1.881   7.879
  378   1HA   GLY  54           HA2      GLY  54   2.738   0.733   9.921
  379   2HA   GLY  54           HA1      GLY  54   2.604   2.271  10.726
  380    H    LYS  55           HN       LYS  55   0.818   0.907  11.840
  381    HA   LYS  55           HA       LYS  55  -1.675   0.823  10.243
  382   1HB   LYS  55           HB2      LYS  55  -1.761   0.233  13.159
  383   2HB   LYS  55           HB1      LYS  55  -2.494  -0.639  11.813
  384   1HG   LYS  55           HG2      LYS  55  -0.045  -1.280  11.197
  385   2HG   LYS  55           HG1      LYS  55   0.323  -0.820  12.860
  386   1HD   LYS  55           HD2      LYS  55  -1.842  -2.800  12.099
  387   2HD   LYS  55           HD1      LYS  55  -0.208  -3.266  12.578
  388   1HE   LYS  55           HE2      LYS  55  -1.193  -1.394  14.500
  389   2HE   LYS  55           HE1      LYS  55  -2.423  -2.635  14.267
  390   1HZ   LYS  55           HZ2      LYS  55   0.446  -3.159  14.826
  391   2HZ   LYS  55           HZ1      LYS  55  -0.804  -3.246  15.973
  392   3HZ   LYS  55           HZ3      LYS  55  -0.776  -4.329  14.669
  393    H    CYS  56           HN       CYS  56  -3.598   1.837  11.043
  394    HA   CYS  56           HA       CYS  56  -3.264   4.608  11.546
  395   1HB   CYS  56           HB2      CYS  56  -5.646   2.763  11.676
  396   2HB   CYS  56           HB1      CYS  56  -5.783   4.492  12.004
   
  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           HT2      LEU   1   8.156  13.299   6.281
    2   2H    LEU   1           HT1      LEU   1   6.813  13.600   7.277
    3   3H    LEU   1           HT3      LEU   1   6.686  12.500   5.993
    4    HA   LEU   1           HA       LEU   1   5.733  14.261   4.973
    5   1HB   LEU   1           HB2      LEU   1   6.833  15.603   7.234
    6   2HB   LEU   1           HB1      LEU   1   7.295  16.519   5.799
    7    HG   LEU   1           HG       LEU   1   4.470  15.535   6.077
    8   1HD1  LEU   1          HD11      LEU   1   5.821  17.605   7.709
    9   2HD1  LEU   1          HD13      LEU   1   4.297  18.101   6.971
   10   3HD1  LEU   1          HD12      LEU   1   4.346  16.697   8.038
   11   1HD2  LEU   1          HD23      LEU   1   5.888  17.835   4.708
   12   2HD2  LEU   1          HD22      LEU   1   5.028  16.493   3.952
   13   3HD2  LEU   1          HD21      LEU   1   4.131  17.736   4.824
   14    H    ALA   2           HN       ALA   2   6.307  15.021   2.937
   15    HA   ALA   2           HA       ALA   2   7.710  15.601   1.129
   16   1HB   ALA   2           HB2      ALA   2   9.182  16.418   3.347
   17   2HB   ALA   2           HB1      ALA   2  10.281  15.336   2.492
   18   3HB   ALA   2           HB3      ALA   2   9.595  16.732   1.661
   19    H    ALA   3           HN       ALA   3   7.406  12.783   2.624
   20    HA   ALA   3           HA       ALA   3   8.631  11.272   0.488
   21   1HB   ALA   3           HB3      ALA   3  10.657  11.812   1.831
   22   2HB   ALA   3           HB2      ALA   3   9.912  11.033   3.226
   23   3HB   ALA   3           HB1      ALA   3  10.320  10.081   1.799
   24    H    VAL   4           HN       VAL   4   6.074  11.146   1.155
   25    HA   VAL   4           HA       VAL   4   5.835   8.595   2.702
   26    HB   VAL   4           HB       VAL   4   3.417   9.566   3.144
   27   1HG1  VAL   4          HG13      VAL   4   6.012  10.037   4.533
   28   2HG1  VAL   4          HG12      VAL   4   4.612  10.934   5.120
   29   3HG1  VAL   4          HG11      VAL   4   4.580   9.171   5.090
   30   1HG2  VAL   4          HG23      VAL   4   4.156  11.602   1.655
   31   2HG2  VAL   4          HG22      VAL   4   3.202  11.894   3.109
   32   3HG2  VAL   4          HG21      VAL   4   4.946  12.155   3.131
   33    H    SER   5           HN       SER   5   6.138   7.852   0.342
   34    HA   SER   5           HA       SER   5   3.510   7.196  -0.731
   35   1HB   SER   5           HB2      SER   5   4.986   8.353  -2.937
   36   2HB   SER   5           HB1      SER   5   3.345   8.699  -2.398
   37    HG   SER   5           HG       SER   5   4.732  10.523  -2.233
   38    H    VAL   6           HN       VAL   6   3.862   5.054  -1.093
   39    HA   VAL   6           HA       VAL   6   6.534   4.107  -1.887
   40    HB   VAL   6           HB       VAL   6   3.936   2.613  -1.411
   41   1HG1  VAL   6          HG12      VAL   6   5.737   1.591  -2.979
   42   2HG1  VAL   6          HG11      VAL   6   6.704   1.422  -1.515
   43   3HG1  VAL   6          HG13      VAL   6   5.148   0.602  -1.643
   44   1HG2  VAL   6          HG21      VAL   6   6.316   3.331   0.283
   45   2HG2  VAL   6          HG23      VAL   6   4.602   3.395   0.693
   46   3HG2  VAL   6          HG22      VAL   6   5.432   1.840   0.610
   47    H    ASP   7           HN       ASP   7   6.977   3.069  -3.886
   48    HA   ASP   7           HA       ASP   7   5.299   3.997  -6.112
   49   1HB   ASP   7           HB2      ASP   7   7.656   4.171  -6.478
   50   2HB   ASP   7           HB1      ASP   7   7.929   2.508  -5.956
   51    H    CYS   8           HN       CYS   8   3.583   2.794  -6.751
   52    HA   CYS   8           HA       CYS   8   3.807  -0.182  -6.530
   53   1HB   CYS   8           HB2      CYS   8   1.272   1.481  -6.415
   54   2HB   CYS   8           HB1      CYS   8   1.392  -0.263  -6.196
   55    H    SER   9           HN       SER   9   4.863   0.604  -8.788
   56    HA   SER   9           HA       SER   9   2.782   0.933 -10.864
   57   1HB   SER   9           HB2      SER   9   4.612   2.257 -11.435
   58   2HB   SER   9           HB1      SER   9   5.776   1.097 -10.800
   59    HG   SER   9           HG       SER   9   5.660   1.172 -13.124
   60    H    GLU  10           HN       GLU  10   4.583  -1.548  -9.351
   61    HA   GLU  10           HA       GLU  10   4.212  -3.425 -11.620
   62   1HB   GLU  10           HB2      GLU  10   5.339  -4.237  -8.961
   63   2HB   GLU  10           HB1      GLU  10   5.767  -4.810 -10.574
   64   1HG   GLU  10           HG2      GLU  10   6.519  -2.189  -9.266
   65   2HG   GLU  10           HG1      GLU  10   7.595  -3.442  -9.887
   66    H    TYR  11           HN       TYR  11   1.928  -2.334 -10.115
   67    HA   TYR  11           HA       TYR  11   0.886  -4.837  -8.895
   68   1HB   TYR  11           HB2      TYR  11   0.350  -1.914  -8.294
   69   2HB   TYR  11           HB1      TYR  11  -0.627  -3.215  -7.622
   70    HD1  TYR  11           HD1      TYR  11   0.379  -4.880  -6.065
   71    HD2  TYR  11           HD2      TYR  11   2.632  -1.565  -7.593
   72    HE1  TYR  11           HE1      TYR  11   2.142  -5.284  -4.362
   73    HE2  TYR  11           HE2      TYR  11   4.381  -1.955  -5.884
   74    HH   TYR  11           HH       TYR  11   5.098  -3.304  -4.268
   75    HA   PRO  12           HA       PRO  12  -1.153  -4.874  -7.973
   76   1HB   PRO  12           HB2      PRO  12  -3.282  -6.588  -8.320
   77   2HB   PRO  12           HB1      PRO  12  -3.463  -4.860  -7.975
   78   1HG   PRO  12           HG2      PRO  12  -4.008  -6.304 -10.490
   79   2HG   PRO  12           HG1      PRO  12  -4.510  -4.674 -10.013
   80   1HD   PRO  12           HD2      PRO  12  -2.310  -5.440 -11.713
   81   2HD   PRO  12           HD1      PRO  12  -2.857  -3.814 -11.394
   82    H    LYS  13           HN       LYS  13  -0.842  -7.069  -7.032
   83    HA   LYS  13           HA       LYS  13   0.332  -8.980  -9.016
   84   1HB   LYS  13           HB2      LYS  13   1.334  -7.936  -6.396
   85   2HB   LYS  13           HB1      LYS  13   1.752  -9.579  -6.868
   86   1HG   LYS  13           HG2      LYS  13   2.685  -8.759  -8.989
   87   2HG   LYS  13           HG1      LYS  13   2.219  -7.111  -8.561
   88   1HD   LYS  13           HD2      LYS  13   4.142  -6.852  -7.434
   89   2HD   LYS  13           HD1      LYS  13   3.707  -8.195  -6.379
   90   1HE   LYS  13           HE2      LYS  13   4.482  -9.533  -8.634
   91   2HE   LYS  13           HE1      LYS  13   5.555  -8.134  -8.682
   92   1HZ   LYS  13           HZ3      LYS  13   6.014  -8.636  -6.266
   93   2HZ   LYS  13           HZ2      LYS  13   5.254 -10.133  -6.523
   94   3HZ   LYS  13           HZ1      LYS  13   6.656  -9.730  -7.392
   95    HA   PRO  14           HA       PRO  14  -2.487 -11.835  -7.140
   96   1HB   PRO  14           HB2      PRO  14  -1.512 -14.100  -8.354
   97   2HB   PRO  14           HB1      PRO  14  -2.540 -12.910  -9.172
   98   1HG   PRO  14           HG2      PRO  14   0.383 -13.385  -9.475
   99   2HG   PRO  14           HG1      PRO  14  -0.763 -12.678 -10.624
  100   1HD   PRO  14           HD2      PRO  14   1.090 -11.263  -9.048
  101   2HD   PRO  14           HD1      PRO  14  -0.240 -10.557  -9.928
  102    H    ALA  15           HN       ALA  15   0.467 -11.310  -6.099
  103    HA   ALA  15           HA       ALA  15   0.314 -13.382  -4.013
  104   1HB   ALA  15           HB1      ALA  15   2.036 -13.722  -6.230
  105   2HB   ALA  15           HB3      ALA  15   3.062 -13.220  -4.886
  106   3HB   ALA  15           HB2      ALA  15   2.036 -14.646  -4.728
  107    H    CYS  16           HN       CYS  16   0.481 -12.167  -2.187
  108    HA   CYS  16           HA       CYS  16   1.989  -9.621  -2.293
  109   1HB   CYS  16           HB2      CYS  16   0.238 -10.816  -0.123
  110   2HB   CYS  16           HB1      CYS  16   1.005  -9.233  -0.042
  111    H    THR  17           HN       THR  17   3.876  -9.274  -1.192
  112    HA   THR  17           HA       THR  17   5.598 -11.396  -0.528
  113    HB   THR  17           HB       THR  17   6.734  -9.579   0.959
  114    HG1  THR  17           HG1      THR  17   5.880  -7.466   0.162
  115   1HG2  THR  17          HG23      THR  17   6.826 -10.162  -1.726
  116   2HG2  THR  17          HG22      THR  17   6.478  -8.433  -1.737
  117   3HG2  THR  17          HG21      THR  17   7.909  -9.039  -0.903
  118    H    LEU  18           HN       LEU  18   6.531 -11.347   1.978
  119    HA   LEU  18           HA       LEU  18   4.107 -11.906   3.631
  120   1HB   LEU  18           HB2      LEU  18   5.414 -13.585   4.822
  121   2HB   LEU  18           HB1      LEU  18   5.503 -13.911   3.091
  122    HG   LEU  18           HG       LEU  18   7.593 -12.130   4.253
  123   1HD1  LEU  18          HD13      LEU  18   7.067 -14.831   5.206
  124   2HD1  LEU  18          HD12      LEU  18   8.658 -14.709   4.456
  125   3HD1  LEU  18          HD11      LEU  18   8.231 -13.646   5.798
  126   1HD2  LEU  18          HD23      LEU  18   7.091 -13.673   1.867
  127   2HD2  LEU  18          HD22      LEU  18   8.374 -12.502   2.170
  128   3HD2  LEU  18          HD21      LEU  18   8.607 -14.196   2.599
  129    H    GLU  19           HN       GLU  19   7.185 -10.227   3.495
  130    HA   GLU  19           HA       GLU  19   7.656  -9.633   6.165
  131   1HB   GLU  19           HB2      GLU  19   8.360  -7.310   5.221
  132   2HB   GLU  19           HB1      GLU  19   9.220  -8.735   4.638
  133   1HG   GLU  19           HG2      GLU  19   6.782  -8.089   3.109
  134   2HG   GLU  19           HG1      GLU  19   8.048  -6.866   3.013
  135    H    TYR  20           HN       TYR  20   7.013  -7.636   7.330
  136    HA   TYR  20           HA       TYR  20   4.169  -6.988   6.706
  137   1HB   TYR  20           HB2      TYR  20   4.606  -8.238   8.842
  138   2HB   TYR  20           HB1      TYR  20   5.448  -6.809   9.436
  139    HD1  TYR  20           HD2      TYR  20   2.396  -7.066   7.285
  140    HD2  TYR  20           HD1      TYR  20   4.018  -5.903  11.090
  141    HE1  TYR  20           HE2      TYR  20   0.221  -6.054   7.897
  142    HE2  TYR  20           HE1      TYR  20   1.837  -4.891  11.707
  143    HH   TYR  20           HH       TYR  20  -0.185  -3.908  10.337
  144    H    ARG  21           HN       ARG  21   3.618  -4.985   6.381
  145    HA   ARG  21           HA       ARG  21   5.039  -2.689   7.488
  146   1HB   ARG  21           HB2      ARG  21   5.191  -3.335   4.526
  147   2HB   ARG  21           HB1      ARG  21   5.488  -1.721   5.176
  148   1HG   ARG  21           HG2      ARG  21   7.141  -3.006   6.784
  149   2HG   ARG  21           HG1      ARG  21   7.109  -4.221   5.506
  150   1HD   ARG  21           HD2      ARG  21   8.780  -2.941   4.617
  151   2HD   ARG  21           HD1      ARG  21   7.433  -1.971   4.019
  152    HE   ARG  21           HE       ARG  21   8.362  -1.222   6.697
  153   1HH1  ARG  21          HH21      ARG  21   7.091   0.796   5.030
  154   2HH1  ARG  21          HH22      ARG  21   8.424   1.685   4.372
  155   1HH2  ARG  21          HH11      ARG  21  10.762  -0.771   5.101
  156   2HH2  ARG  21          HH12      ARG  21  10.503   0.799   4.416
  157    HA   PRO  22           HA       PRO  22   0.554  -2.319   6.712
  158   1HB   PRO  22           HB2      PRO  22   0.075  -0.877   9.009
  159   2HB   PRO  22           HB1      PRO  22   0.054  -2.653   8.915
  160   1HG   PRO  22           HG2      PRO  22   2.186  -0.851  10.010
  161   2HG   PRO  22           HG1      PRO  22   1.734  -2.490  10.514
  162   1HD   PRO  22           HD2      PRO  22   3.955  -1.896   8.936
  163   2HD   PRO  22           HD1      PRO  22   3.158  -3.484   8.987
  164    H    LEU  23           HN       LEU  23   0.219  -0.815   5.137
  165    HA   LEU  23           HA       LEU  23   1.190   1.958   5.661
  166   1HB   LEU  23           HB2      LEU  23   0.218   0.930   2.999
  167   2HB   LEU  23           HB1      LEU  23   1.340   2.250   3.329
  168    HG   LEU  23           HG       LEU  23   2.149  -0.458   4.279
  169   1HD1  LEU  23          HD12      LEU  23   1.762   0.293   1.416
  170   2HD1  LEU  23          HD11      LEU  23   3.178  -0.660   1.859
  171   3HD1  LEU  23          HD13      LEU  23   1.560  -1.273   2.202
  172   1HD2  LEU  23          HD21      LEU  23   3.402   1.825   4.414
  173   2HD2  LEU  23          HD23      LEU  23   4.305   0.386   3.944
  174   3HD2  LEU  23          HD22      LEU  23   3.768   1.530   2.714
  175    H    CYS  24           HN       CYS  24  -0.374   3.453   6.116
  176    HA   CYS  24           HA       CYS  24  -3.177   2.622   6.061
  177   1HB   CYS  24           HB2      CYS  24  -2.234   4.082   7.881
  178   2HB   CYS  24           HB1      CYS  24  -2.034   5.353   6.694
  179    H    GLY  25           HN       GLY  25  -4.826   4.040   4.983
  180   1HA   GLY  25           HA2      GLY  25  -3.866   5.258   2.435
  181   2HA   GLY  25           HA1      GLY  25  -5.078   4.073   2.447
  182    H    SER  26           HN       SER  26  -5.630   6.539   1.377
  183    HA   SER  26           HA       SER  26  -6.753   8.372   3.287
  184   1HB   SER  26           HB2      SER  26  -6.247   9.143   1.043
  185   2HB   SER  26           HB1      SER  26  -7.347   7.963   0.340
  186    HG   SER  26           HG       SER  26  -8.523   9.793   0.468
  187    H    ASP  27           HN       ASP  27  -7.890   5.404   1.895
  188    HA   ASP  27           HA       ASP  27 -10.706   5.756   2.235
  189   1HB   ASP  27           HB2      ASP  27 -10.569   3.153   2.633
  190   2HB   ASP  27           HB1      ASP  27 -10.185   3.816   1.045
  191    H    ASN  28           HN       ASN  28  -8.192   5.590   4.513
  192    HA   ASN  28           HA       ASN  28  -8.367   5.966   6.839
  193   1HB   ASN  28           HB2      ASN  28 -11.222   5.004   6.775
  194   2HB   ASN  28           HB1      ASN  28 -10.444   6.082   7.932
  195   1HD2  ASN  28          HD22      ASN  28 -12.491   7.997   5.329
  196   2HD2  ASN  28          HD21      ASN  28 -12.872   6.617   6.241
  197    H    LYS  29           HN       LYS  29  -7.905   3.383   5.271
  198    HA   LYS  29           HA       LYS  29  -8.254   1.568   7.616
  199   1HB   LYS  29           HB2      LYS  29  -8.059  -0.147   5.459
  200   2HB   LYS  29           HB1      LYS  29  -9.554   0.306   6.263
  201   1HG   LYS  29           HG2      LYS  29  -9.662   2.286   4.673
  202   2HG   LYS  29           HG1      LYS  29  -8.327   1.530   3.803
  203   1HD   LYS  29           HD2      LYS  29 -10.509  -0.338   4.379
  204   2HD   LYS  29           HD1      LYS  29 -11.013   1.014   3.365
  205   1HE   LYS  29           HE2      LYS  29  -9.156   0.564   1.816
  206   2HE   LYS  29           HE1      LYS  29  -8.619  -0.773   2.833
  207   1HZ   LYS  29           HZ3      LYS  29 -11.392  -0.957   2.169
  208   2HZ   LYS  29           HZ2      LYS  29 -10.412  -0.928   0.782
  209   3HZ   LYS  29           HZ1      LYS  29 -10.161  -2.107   1.980
  210    H    THR  30           HN       THR  30  -6.678  -0.331   7.403
  211    HA   THR  30           HA       THR  30  -3.998   0.786   6.688
  212    HB   THR  30           HB       THR  30  -4.837  -1.440   8.579
  213    HG1  THR  30           HG1      THR  30  -5.100   0.588   9.438
  214   1HG2  THR  30          HG23      THR  30  -2.064  -0.481   7.808
  215   2HG2  THR  30          HG22      THR  30  -2.410  -1.546   9.171
  216   3HG2  THR  30          HG21      THR  30  -2.739  -2.086   7.524
  217    H    TYR  31           HN       TYR  31  -2.434  -0.859   5.803
  218    HA   TYR  31           HA       TYR  31  -3.817  -3.001   4.267
  219   1HB   TYR  31           HB2      TYR  31  -1.704  -1.064   3.234
  220   2HB   TYR  31           HB1      TYR  31  -2.082  -2.585   2.474
  221    HD1  TYR  31           HD1      TYR  31  -3.558   0.637   3.555
  222    HD2  TYR  31           HD2      TYR  31  -4.047  -2.897   1.162
  223    HE1  TYR  31           HE1      TYR  31  -5.560   1.638   2.487
  224    HE2  TYR  31           HE2      TYR  31  -6.047  -1.893   0.091
  225    HH   TYR  31           HH       TYR  31  -7.720  -0.190   0.566
  226    H    GLY  32           HN       GLY  32  -3.063  -4.912   4.913
  227   1HA   GLY  32           HA2      GLY  32  -1.292  -5.558   6.801
  228   2HA   GLY  32           HA1      GLY  32  -1.414  -6.577   5.385
  229    H    ASN  33           HN       ASN  33  -0.164  -5.140   3.408
  230    HA   ASN  33           HA       ASN  33   2.349  -4.080   4.466
  231   1HB   ASN  33           HB2      ASN  33   3.769  -5.712   3.257
  232   2HB   ASN  33           HB1      ASN  33   2.830  -6.464   4.539
  233   1HD2  ASN  33          HD22      ASN  33   2.377  -8.695   1.666
  234   2HD2  ASN  33          HD21      ASN  33   3.589  -8.293   2.782
  235    H    LYS  34           HN       LYS  34   3.878  -4.156   2.219
  236    HA   LYS  34           HA       LYS  34   2.865  -2.026   0.681
  237   1HB   LYS  34           HB2      LYS  34   4.747  -2.398  -0.781
  238   2HB   LYS  34           HB1      LYS  34   5.272  -2.781   0.859
  239   1HG   LYS  34           HG2      LYS  34   4.536  -5.214   0.300
  240   2HG   LYS  34           HG1      LYS  34   4.585  -4.678  -1.382
  241   1HD   LYS  34           HD2      LYS  34   6.938  -3.987   0.303
  242   2HD   LYS  34           HD1      LYS  34   6.748  -5.685  -0.135
  243   1HE   LYS  34           HE2      LYS  34   7.984  -4.846  -1.940
  244   2HE   LYS  34           HE1      LYS  34   6.329  -4.752  -2.544
  245   1HZ   LYS  34           HZ3      LYS  34   6.964  -2.422  -1.078
  246   2HZ   LYS  34           HZ2      LYS  34   8.142  -2.678  -2.275
  247   3HZ   LYS  34           HZ1      LYS  34   6.502  -2.564  -2.703
  248    H    CYS  35           HN       CYS  35   2.620  -5.524   0.055
  249    HA   CYS  35           HA       CYS  35   1.692  -5.295  -2.608
  250   1HB   CYS  35           HB2      CYS  35   2.296  -7.468  -1.723
  251   2HB   CYS  35           HB1      CYS  35   1.027  -7.363  -0.507
  252    H    ASN  36           HN       ASN  36  -0.287  -5.852   0.297
  253    HA   ASN  36           HA       ASN  36  -2.781  -5.404  -0.931
  254   1HB   ASN  36           HB2      ASN  36  -1.850  -5.008   1.916
  255   2HB   ASN  36           HB1      ASN  36  -3.532  -4.779   1.438
  256   1HD2  ASN  36          HD22      ASN  36  -1.951  -8.567   1.480
  257   2HD2  ASN  36          HD21      ASN  36  -0.916  -7.226   1.534
  258    H    PHE  37           HN       PHE  37  -0.615  -2.998   0.608
  259    HA   PHE  37           HA       PHE  37  -2.421  -0.798   0.380
  260   1HB   PHE  37           HB2      PHE  37  -0.288  -0.762   1.642
  261   2HB   PHE  37           HB1      PHE  37   0.608  -0.632   0.254
  262    HD1  PHE  37           HD1      PHE  37  -2.170   1.107   1.989
  263    HD2  PHE  37           HD2      PHE  37   1.000   1.248  -0.857
  264    HE1  PHE  37           HE1      PHE  37  -2.565   3.552   1.687
  265    HE2  PHE  37           HE2      PHE  37   0.646   3.695  -1.158
  266    HZ   PHE  37           HZ       PHE  37  -1.147   4.840   0.115
  267    H    CYS  38           HN       CYS  38   0.014  -2.028  -1.721
  268    HA   CYS  38           HA       CYS  38  -0.330  -0.065  -3.808
  269   1HB   CYS  38           HB2      CYS  38   0.899  -2.832  -3.837
  270   2HB   CYS  38           HB1      CYS  38   0.886  -1.759  -5.229
  271    H    ASN  39           HN       ASN  39  -1.998  -2.999  -2.946
  272    HA   ASN  39           HA       ASN  39  -3.264  -3.404  -5.523
  273   1HB   ASN  39           HB2      ASN  39  -4.104  -4.338  -2.756
  274   2HB   ASN  39           HB1      ASN  39  -4.664  -4.977  -4.288
  275   1HD2  ASN  39          HD22      ASN  39  -0.844  -5.833  -4.537
  276   2HD2  ASN  39          HD21      ASN  39  -1.542  -4.363  -4.993
  277    H    ALA  40           HN       ALA  40  -3.823  -1.470  -2.678
  278    HA   ALA  40           HA       ALA  40  -6.603  -0.868  -3.332
  279   1HB   ALA  40           HB1      ALA  40  -4.651  -0.091  -1.242
  280   2HB   ALA  40           HB3      ALA  40  -5.832   1.151  -1.665
  281   3HB   ALA  40           HB2      ALA  40  -6.376  -0.430  -1.104
  282    H    VAL  41           HN       VAL  41  -3.425   0.505  -3.904
  283    HA   VAL  41           HA       VAL  41  -4.332   3.023  -4.996
  284    HB   VAL  41           HB       VAL  41  -1.780   1.487  -5.605
  285   1HG1  VAL  41          HG13      VAL  41  -2.344   3.410  -7.112
  286   2HG1  VAL  41          HG12      VAL  41  -2.354   4.462  -5.697
  287   3HG1  VAL  41          HG11      VAL  41  -0.863   3.659  -6.186
  288   1HG2  VAL  41          HG22      VAL  41  -2.151   1.814  -3.164
  289   2HG2  VAL  41          HG21      VAL  41  -0.777   2.744  -3.760
  290   3HG2  VAL  41          HG23      VAL  41  -2.315   3.548  -3.442
  291    H    VAL  42           HN       VAL  42  -3.299  -0.063  -6.440
  292    HA   VAL  42           HA       VAL  42  -3.797   0.665  -9.156
  293    HB   VAL  42           HB       VAL  42  -3.749  -1.785  -9.574
  294   1HG1  VAL  42          HG12      VAL  42  -1.705  -0.215  -8.790
  295   2HG1  VAL  42          HG11      VAL  42  -1.645  -1.425  -7.511
  296   3HG1  VAL  42          HG13      VAL  42  -1.495  -1.918  -9.195
  297   1HG2  VAL  42          HG23      VAL  42  -4.101  -1.833  -6.595
  298   2HG2  VAL  42          HG22      VAL  42  -4.860  -2.849  -7.820
  299   3HG2  VAL  42          HG21      VAL  42  -3.177  -3.120  -7.366
  300    H    GLU  43           HN       GLU  43  -5.859  -0.582  -6.606
  301    HA   GLU  43           HA       GLU  43  -8.103  -0.923  -8.502
  302   1HB   GLU  43           HB2      GLU  43  -7.424  -2.313  -6.226
  303   2HB   GLU  43           HB1      GLU  43  -8.644  -1.203  -5.625
  304   1HG   GLU  43           HG2      GLU  43  -9.622  -2.141  -8.095
  305   2HG   GLU  43           HG1      GLU  43  -9.000  -3.557  -7.247
  306    H    SER  44           HN       SER  44  -6.746   1.542  -6.631
  307    HA   SER  44           HA       SER  44  -9.403   2.876  -6.372
  308   1HB   SER  44           HB2      SER  44  -8.191   2.623  -4.249
  309   2HB   SER  44           HB1      SER  44  -6.806   3.470  -4.933
  310    HG   SER  44           HG       SER  44  -9.071   4.463  -3.858
  311    H    ASN  45           HN       ASN  45  -7.226   2.787  -8.676
  312    HA   ASN  45           HA       ASN  45  -6.419   4.318 -10.260
  313   1HB   ASN  45           HB2      ASN  45  -8.906   5.676  -9.199
  314   2HB   ASN  45           HB1      ASN  45  -7.911   6.405 -10.448
  315   1HD2  ASN  45          HD22      ASN  45  -9.193   2.742 -11.673
  316   2HD2  ASN  45          HD21      ASN  45  -8.259   2.891 -10.267
  317    H    GLY  46           HN       GLY  46  -4.944   4.381  -7.960
  318   1HA   GLY  46           HA2      GLY  46  -3.601   5.725  -6.586
  319   2HA   GLY  46           HA1      GLY  46  -3.477   6.723  -8.022
  320    H    THR  47           HN       THR  47  -6.428   6.121  -6.184
  321    HA   THR  47           HA       THR  47  -6.473   9.024  -5.463
  322    HB   THR  47           HB       THR  47  -8.879   8.905  -5.490
  323    HG1  THR  47           HG1      THR  47  -9.770   6.753  -6.104
  324   1HG2  THR  47          HG23      THR  47  -7.454   8.782  -7.708
  325   2HG2  THR  47          HG22      THR  47  -8.211   7.197  -7.854
  326   3HG2  THR  47          HG21      THR  47  -9.211   8.647  -7.769
  327    H    LEU  48           HN       LEU  48  -5.655   6.174  -4.211
  328    HA   LEU  48           HA       LEU  48  -7.098   6.277  -1.669
  329   1HB   LEU  48           HB2      LEU  48  -6.509   4.090  -1.682
  330   2HB   LEU  48           HB1      LEU  48  -5.572   4.356  -3.141
  331    HG   LEU  48           HG       LEU  48  -3.659   5.121  -1.649
  332   1HD1  LEU  48          HD13      LEU  48  -5.673   5.019   0.309
  333   2HD1  LEU  48          HD12      LEU  48  -4.590   3.675   0.674
  334   3HD1  LEU  48          HD11      LEU  48  -3.954   5.316   0.570
  335   1HD2  LEU  48          HD23      LEU  48  -4.170   2.724  -2.607
  336   2HD2  LEU  48          HD22      LEU  48  -2.854   2.967  -1.459
  337   3HD2  LEU  48          HD21      LEU  48  -4.401   2.325  -0.904
  338    H    THR  49           HN       THR  49  -3.774   6.677  -2.711
  339    HA   THR  49           HA       THR  49  -1.957   7.754  -1.818
  340    HB   THR  49           HB       THR  49  -2.381   9.882  -0.708
  341    HG1  THR  49           HG1      THR  49  -4.811  10.377  -0.862
  342   1HG2  THR  49          HG21      THR  49  -3.092   9.084  -3.312
  343   2HG2  THR  49          HG23      THR  49  -4.308  10.248  -2.788
  344   3HG2  THR  49          HG22      THR  49  -2.601  10.691  -2.775
  345    H    LEU  50           HN       LEU  50  -0.721   7.083  -0.292
  346    HA   LEU  50           HA       LEU  50  -1.542   5.591   1.981
  347   1HB   LEU  50           HB2      LEU  50   0.627   5.183   1.141
  348   2HB   LEU  50           HB1      LEU  50   1.012   6.895   1.038
  349    HG   LEU  50           HG       LEU  50   0.789   6.859   3.633
  350   1HD1  LEU  50          HD12      LEU  50   0.317   4.111   2.939
  351   2HD1  LEU  50          HD11      LEU  50   1.810   4.224   3.872
  352   3HD1  LEU  50          HD13      LEU  50   0.304   4.857   4.537
  353   1HD2  LEU  50          HD22      LEU  50   2.865   7.054   2.135
  354   2HD2  LEU  50          HD21      LEU  50   3.124   6.481   3.784
  355   3HD2  LEU  50          HD23      LEU  50   3.103   5.334   2.444
  356    H    SER  51           HN       SER  51  -2.182   6.340   3.982
  357    HA   SER  51           HA       SER  51  -2.290   9.215   4.489
  358   1HB   SER  51           HB2      SER  51  -3.986   7.593   5.143
  359   2HB   SER  51           HB1      SER  51  -3.070   6.913   6.369
  360    HG   SER  51           HG       SER  51  -3.526   9.699   6.187
  361    H    HIS  52           HN       HIS  52  -0.274   6.605   5.145
  362    HA   HIS  52           HA       HIS  52   2.017   7.861   5.896
  363   1HB   HIS  52           HB2      HIS  52   1.949   7.828   8.445
  364   2HB   HIS  52           HB1      HIS  52   1.031   9.119   7.681
  365    HD1  HIS  52           HD1      HIS  52   0.666   5.995   9.674
  366    HD2  HIS  52           HD2      HIS  52  -1.855   8.759   7.813
  367    HE1  HIS  52           HE1      HIS  52  -1.657   5.553  10.565
  368    H    PHE  53           HN       PHE  53   3.593   6.377   6.859
  369    HA   PHE  53           HA       PHE  53   3.019   3.627   6.331
  370   1HB   PHE  53           HB2      PHE  53   5.260   4.984   7.846
  371   2HB   PHE  53           HB1      PHE  53   5.205   3.241   7.575
  372    HD1  PHE  53           HD2      PHE  53   5.558   6.541   5.981
  373    HD2  PHE  53           HD1      PHE  53   5.449   2.295   5.331
  374    HE1  PHE  53           HE2      PHE  53   6.452   6.869   3.692
  375    HE2  PHE  53           HE1      PHE  53   6.346   2.625   3.043
  376    HZ   PHE  53           HZ       PHE  53   6.847   4.912   2.223
  377    H    GLY  54           HN       GLY  54   3.188   1.902   8.051
  378   1HA   GLY  54           HA2      GLY  54   2.667   1.064  10.225
  379   2HA   GLY  54           HA1      GLY  54   2.342   2.698  10.743
  380    H    LYS  55           HN       LYS  55   0.368   1.535  11.676
  381    HA   LYS  55           HA       LYS  55  -1.745   1.092   9.648
  382   1HB   LYS  55           HB2      LYS  55  -2.313   0.931  12.578
  383   2HB   LYS  55           HB1      LYS  55  -2.955  -0.049  11.274
  384   1HG   LYS  55           HG2      LYS  55  -1.542  -1.519  12.413
  385   2HG   LYS  55           HG1      LYS  55  -0.574  -1.027  11.042
  386   1HD   LYS  55           HD2      LYS  55   0.986  -0.128  12.418
  387   2HD   LYS  55           HD1      LYS  55  -0.239   0.775  13.311
  388   1HE   LYS  55           HE2      LYS  55  -0.320  -2.106  13.852
  389   2HE   LYS  55           HE1      LYS  55   1.211  -1.361  14.308
  390   1HZ   LYS  55           HZ2      LYS  55  -1.155   0.142  15.027
  391   2HZ   LYS  55           HZ1      LYS  55  -0.976  -1.339  15.839
  392   3HZ   LYS  55           HZ3      LYS  55   0.250  -0.172  15.928
  393    H    CYS  56           HN       CYS  56  -3.840   2.254  10.014
  394    HA   CYS  56           HA       CYS  56  -3.445   5.077  10.252
  395   1HB   CYS  56           HB2      CYS  56  -6.107   3.670  10.497
  396   2HB   CYS  56           HB1      CYS  56  -5.771   5.262   9.812
   
  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           HT2      LEU   1  11.359  17.537   1.966
    2   2H    LEU   1           HT1      LEU   1  10.358  18.905   1.846
    3   3H    LEU   1           HT3      LEU   1  11.428  18.751   3.152
    4    HA   LEU   1           HA       LEU   1   9.766  17.876   4.308
    5   1HB   LEU   1           HB2      LEU   1   8.482  18.537   1.872
    6   2HB   LEU   1           HB1      LEU   1   7.950  16.908   2.288
    7    HG   LEU   1           HG       LEU   1   8.038  18.811   4.550
    8   1HD1  LEU   1          HD12      LEU   1   6.923  19.715   2.139
    9   2HD1  LEU   1          HD11      LEU   1   5.549  19.158   3.094
   10   3HD1  LEU   1          HD13      LEU   1   6.637  20.384   3.746
   11   1HD2  LEU   1          HD23      LEU   1   6.106  16.742   3.472
   12   2HD2  LEU   1          HD22      LEU   1   7.144  16.602   4.890
   13   3HD2  LEU   1          HD21      LEU   1   5.773  17.711   4.907
   14    H    ALA   2           HN       ALA   2   9.224  15.775   5.061
   15    HA   ALA   2           HA       ALA   2  10.755  13.613   3.759
   16   1HB   ALA   2           HB3      ALA   2   9.664  14.150   6.443
   17   2HB   ALA   2           HB2      ALA   2   9.510  12.470   5.928
   18   3HB   ALA   2           HB1      ALA   2  11.098  13.237   5.975
   19    H    ALA   3           HN       ALA   3   9.663  12.711   2.054
   20    HA   ALA   3           HA       ALA   3   6.770  12.532   1.968
   21   1HB   ALA   3           HB2      ALA   3   8.554  12.546   0.017
   22   2HB   ALA   3           HB1      ALA   3   8.537  10.801   0.271
   23   3HB   ALA   3           HB3      ALA   3   7.050  11.644  -0.165
   24    H    VAL   4           HN       VAL   4   5.481  10.668   2.272
   25    HA   VAL   4           HA       VAL   4   6.854   8.241   3.314
   26    HB   VAL   4           HB       VAL   4   4.947   8.158   5.064
   27   1HG1  VAL   4          HG12      VAL   4   7.375   8.611   5.530
   28   2HG1  VAL   4          HG11      VAL   4   7.042  10.333   5.346
   29   3HG1  VAL   4          HG13      VAL   4   6.281   9.422   6.651
   30   1HG2  VAL   4          HG21      VAL   4   3.844  10.180   3.826
   31   2HG2  VAL   4          HG23      VAL   4   3.819  10.151   5.589
   32   3HG2  VAL   4          HG22      VAL   4   4.997  11.152   4.740
   33    H    SER   5           HN       SER   5   6.250   7.289   1.274
   34    HA   SER   5           HA       SER   5   3.590   6.107   1.312
   35   1HB   SER   5           HB2      SER   5   2.736   7.976   0.222
   36   2HB   SER   5           HB1      SER   5   4.263   8.336  -0.576
   37    HG   SER   5           HG       SER   5   2.419   6.260  -1.154
   38    H    VAL   6           HN       VAL   6   3.353   4.586  -0.611
   39    HA   VAL   6           HA       VAL   6   6.059   3.693  -1.510
   40    HB   VAL   6           HB       VAL   6   3.601   2.068  -0.811
   41   1HG1  VAL   6          HG11      VAL   6   5.903   1.481  -2.566
   42   2HG1  VAL   6          HG13      VAL   6   5.582   0.256  -1.339
   43   3HG1  VAL   6          HG12      VAL   6   4.321   0.705  -2.487
   44   1HG2  VAL   6          HG21      VAL   6   5.159   2.853   1.028
   45   2HG2  VAL   6          HG23      VAL   6   5.020   1.101   0.889
   46   3HG2  VAL   6          HG22      VAL   6   6.440   1.925   0.246
   47    H    ASP   7           HN       ASP   7   6.259   3.048  -3.692
   48    HA   ASP   7           HA       ASP   7   4.176   4.129  -5.483
   49   1HB   ASP   7           HB2      ASP   7   6.511   4.646  -5.996
   50   2HB   ASP   7           HB1      ASP   7   6.905   2.927  -6.047
   51    H    CYS   8           HN       CYS   8   3.011   2.844  -6.977
   52    HA   CYS   8           HA       CYS   8   3.348  -0.108  -6.705
   53   1HB   CYS   8           HB2      CYS   8   0.683   1.330  -6.764
   54   2HB   CYS   8           HB1      CYS   8   0.954  -0.392  -6.513
   55    H    SER   9           HN       SER   9   4.503   0.504  -8.843
   56    HA   SER   9           HA       SER   9   2.644   1.080 -11.064
   57   1HB   SER   9           HB2      SER   9   5.453   1.420 -10.608
   58   2HB   SER   9           HB1      SER   9   5.235   0.405 -12.030
   59    HG   SER   9           HG       SER   9   4.665   3.060 -11.637
   60    H    GLU  10           HN       GLU  10   4.097  -1.634  -9.529
   61    HA   GLU  10           HA       GLU  10   3.468  -3.366 -11.877
   62   1HB   GLU  10           HB2      GLU  10   4.884  -4.281  -9.378
   63   2HB   GLU  10           HB1      GLU  10   4.972  -4.961 -11.003
   64   1HG   GLU  10           HG2      GLU  10   6.820  -3.721 -11.342
   65   2HG   GLU  10           HG1      GLU  10   5.800  -2.284 -11.270
   66    H    TYR  11           HN       TYR  11   1.427  -2.237 -10.104
   67    HA   TYR  11           HA       TYR  11   0.423  -4.701  -8.781
   68   1HB   TYR  11           HB2      TYR  11   0.105  -1.750  -8.223
   69   2HB   TYR  11           HB1      TYR  11  -1.006  -2.919  -7.524
   70    HD1  TYR  11           HD1      TYR  11  -0.111  -4.751  -6.018
   71    HD2  TYR  11           HD2      TYR  11   2.353  -1.540  -7.458
   72    HE1  TYR  11           HE1      TYR  11   1.598  -5.279  -4.289
   73    HE2  TYR  11           HE2      TYR  11   4.050  -2.063  -5.730
   74    HH   TYR  11           HH       TYR  11   4.384  -3.194  -3.771
   75    HA   PRO  12           HA       PRO  12  -1.618  -4.565  -7.673
   76   1HB   PRO  12           HB2      PRO  12  -3.815  -6.222  -7.795
   77   2HB   PRO  12           HB1      PRO  12  -3.919  -4.476  -7.544
   78   1HG   PRO  12           HG2      PRO  12  -4.654  -6.041  -9.934
   79   2HG   PRO  12           HG1      PRO  12  -5.076  -4.370  -9.527
   80   1HD   PRO  12           HD2      PRO  12  -3.015  -5.305 -11.310
   81   2HD   PRO  12           HD1      PRO  12  -3.479  -3.643 -11.041
   82    H    LYS  13           HN       LYS  13  -0.985  -6.509  -6.628
   83    HA   LYS  13           HA       LYS  13  -0.160  -8.684  -8.498
   84   1HB   LYS  13           HB2      LYS  13   1.143  -7.342  -6.215
   85   2HB   LYS  13           HB1      LYS  13   1.299  -9.098  -6.222
   86   1HG   LYS  13           HG2      LYS  13   2.052  -8.933  -8.627
   87   2HG   LYS  13           HG1      LYS  13   2.086  -7.181  -8.427
   88   1HD   LYS  13           HD2      LYS  13   4.184  -7.410  -7.642
   89   2HD   LYS  13           HD1      LYS  13   3.475  -8.153  -6.207
   90   1HE   LYS  13           HE2      LYS  13   4.206  -9.677  -8.724
   91   2HE   LYS  13           HE1      LYS  13   5.233  -9.576  -7.293
   92   1HZ   LYS  13           HZ2      LYS  13   3.432 -10.537  -5.989
   93   2HZ   LYS  13           HZ1      LYS  13   2.471 -10.664  -7.383
   94   3HZ   LYS  13           HZ3      LYS  13   3.896 -11.576  -7.251
   95    HA   PRO  14           HA       PRO  14  -2.959 -11.231  -6.182
   96   1HB   PRO  14           HB2      PRO  14  -2.235 -13.611  -7.350
   97   2HB   PRO  14           HB1      PRO  14  -3.265 -12.405  -8.142
   98   1HG   PRO  14           HG2      PRO  14  -0.409 -13.069  -8.666
   99   2HG   PRO  14           HG1      PRO  14  -1.615 -12.373  -9.759
  100   1HD   PRO  14           HD2      PRO  14   0.443 -10.959  -8.452
  101   2HD   PRO  14           HD1      PRO  14  -0.944 -10.243  -9.252
  102    H    ALA  15           HN       ALA  15   0.097 -10.817  -5.442
  103    HA   ALA  15           HA       ALA  15   0.057 -12.626  -3.171
  104   1HB   ALA  15           HB2      ALA  15   1.081 -13.754  -5.452
  105   2HB   ALA  15           HB1      ALA  15   2.530 -13.066  -4.719
  106   3HB   ALA  15           HB3      ALA  15   1.548 -14.220  -3.816
  107    H    CYS  16           HN       CYS  16   1.929 -12.192  -1.739
  108    HA   CYS  16           HA       CYS  16   3.536  -9.799  -2.429
  109   1HB   CYS  16           HB2      CYS  16   1.440  -8.969  -1.321
  110   2HB   CYS  16           HB1      CYS  16   1.858  -9.941   0.089
  111    H    THR  17           HN       THR  17   5.309  -9.463  -0.878
  112    HA   THR  17           HA       THR  17   6.577 -11.901  -0.072
  113    HB   THR  17           HB       THR  17   7.827  -9.998   1.445
  114    HG1  THR  17           HG1      THR  17   6.563  -8.310   0.892
  115   1HG2  THR  17          HG21      THR  17   8.198 -11.287  -1.089
  116   2HG2  THR  17          HG23      THR  17   8.735  -9.612  -1.220
  117   3HG2  THR  17          HG22      THR  17   9.425 -10.665   0.015
  118    H    LEU  18           HN       LEU  18   7.425 -11.420   2.592
  119    HA   LEU  18           HA       LEU  18   4.810 -11.615   4.026
  120   1HB   LEU  18           HB2      LEU  18   7.291 -12.881   5.144
  121   2HB   LEU  18           HB1      LEU  18   5.607 -13.363   5.320
  122    HG   LEU  18           HG       LEU  18   6.081 -13.562   2.576
  123   1HD1  LEU  18          HD11      LEU  18   8.487 -14.343   4.210
  124   2HD1  LEU  18          HD13      LEU  18   8.092 -15.219   2.732
  125   3HD1  LEU  18          HD12      LEU  18   8.428 -13.489   2.668
  126   1HD2  LEU  18          HD21      LEU  18   6.161 -15.678   4.753
  127   2HD2  LEU  18          HD23      LEU  18   4.716 -15.084   3.934
  128   3HD2  LEU  18          HD22      LEU  18   5.923 -16.005   3.036
  129    H    GLU  19           HN       GLU  19   7.947 -10.096   3.943
  130    HA   GLU  19           HA       GLU  19   8.316  -9.212   6.544
  131   1HB   GLU  19           HB2      GLU  19   9.384  -7.218   5.618
  132   2HB   GLU  19           HB1      GLU  19   9.798  -8.615   4.626
  133   1HG   GLU  19           HG2      GLU  19   7.374  -7.528   3.590
  134   2HG   GLU  19           HG1      GLU  19   8.501  -6.195   3.831
  135    H    TYR  20           HN       TYR  20   6.849  -8.386   7.897
  136    HA   TYR  20           HA       TYR  20   4.391  -7.207   6.890
  137   1HB   TYR  20           HB2      TYR  20   4.520  -8.630   8.940
  138   2HB   TYR  20           HB1      TYR  20   5.319  -7.294   9.763
  139    HD1  TYR  20           HD2      TYR  20   2.551  -7.197   7.240
  140    HD2  TYR  20           HD1      TYR  20   3.711  -6.538  11.327
  141    HE1  TYR  20           HE2      TYR  20   0.343  -6.169   7.702
  142    HE2  TYR  20           HE1      TYR  20   1.500  -5.514  11.786
  143    HH   TYR  20           HH       TYR  20  -1.126  -5.836   9.777
  144    H    ARG  21           HN       ARG  21   3.971  -5.210   6.542
  145    HA   ARG  21           HA       ARG  21   5.085  -2.982   8.053
  146   1HB   ARG  21           HB2      ARG  21   5.978  -1.872   5.924
  147   2HB   ARG  21           HB1      ARG  21   6.959  -3.193   6.559
  148   1HG   ARG  21           HG2      ARG  21   5.872  -4.753   4.971
  149   2HG   ARG  21           HG1      ARG  21   4.929  -3.413   4.317
  150   1HD   ARG  21           HD2      ARG  21   7.958  -3.567   4.332
  151   2HD   ARG  21           HD1      ARG  21   6.933  -3.881   2.932
  152    HE   ARG  21           HE       ARG  21   6.212  -1.328   3.844
  153   1HH1  ARG  21          HH21      ARG  21   9.388  -2.334   3.874
  154   2HH1  ARG  21          HH22      ARG  21   9.954  -1.211   2.683
  155   1HH2  ARG  21          HH11      ARG  21   6.778  -0.138   1.797
  156   2HH2  ARG  21          HH12      ARG  21   8.478   0.032   1.509
  157    HA   PRO  22           HA       PRO  22   0.801  -2.764   6.331
  158   1HB   PRO  22           HB2      PRO  22  -0.210  -1.622   8.650
  159   2HB   PRO  22           HB1      PRO  22  -0.138  -3.376   8.326
  160   1HG   PRO  22           HG2      PRO  22   1.635  -1.683  10.052
  161   2HG   PRO  22           HG1      PRO  22   1.166  -3.381  10.253
  162   1HD   PRO  22           HD2      PRO  22   3.636  -2.566   9.286
  163   2HD   PRO  22           HD1      PRO  22   2.904  -4.148   8.934
  164    H    LEU  23           HN       LEU  23   0.199  -1.021   5.090
  165    HA   LEU  23           HA       LEU  23   1.095   1.657   6.076
  166   1HB   LEU  23           HB2      LEU  23   0.383   0.870   3.241
  167   2HB   LEU  23           HB1      LEU  23   1.174   2.357   3.777
  168    HG   LEU  23           HG       LEU  23   2.632   0.129   4.820
  169   1HD1  LEU  23          HD13      LEU  23   1.549  -1.077   2.903
  170   2HD1  LEU  23          HD12      LEU  23   2.305   0.084   1.813
  171   3HD1  LEU  23          HD11      LEU  23   3.307  -0.993   2.787
  172   1HD2  LEU  23          HD21      LEU  23   3.413   2.462   4.310
  173   2HD2  LEU  23          HD23      LEU  23   4.464   1.199   3.668
  174   3HD2  LEU  23          HD22      LEU  23   3.351   2.050   2.595
  175    H    CYS  24           HN       CYS  24  -0.499   3.081   6.578
  176    HA   CYS  24           HA       CYS  24  -3.298   2.212   6.301
  177   1HB   CYS  24           HB2      CYS  24  -2.498   3.405   8.363
  178   2HB   CYS  24           HB1      CYS  24  -2.190   4.812   7.376
  179    H    GLY  25           HN       GLY  25  -4.484   2.740   4.510
  180   1HA   GLY  25           HA2      GLY  25  -3.418   4.417   2.461
  181   2HA   GLY  25           HA1      GLY  25  -5.024   3.846   2.518
  182    H    SER  26           HN       SER  26  -5.517   6.116   1.709
  183    HA   SER  26           HA       SER  26  -5.398   8.173   3.834
  184   1HB   SER  26           HB2      SER  26  -4.983   9.123   1.703
  185   2HB   SER  26           HB1      SER  26  -6.282   8.221   0.936
  186    HG   SER  26           HG       SER  26  -7.742   9.551   1.820
  187    H    ASP  27           HN       ASP  27  -7.720   6.145   2.112
  188    HA   ASP  27           HA       ASP  27 -10.116   7.242   3.191
  189   1HB   ASP  27           HB2      ASP  27 -11.157   5.153   2.591
  190   2HB   ASP  27           HB1      ASP  27  -9.926   5.472   1.367
  191    H    ASN  28           HN       ASN  28  -7.532   5.523   4.625
  192    HA   ASN  28           HA       ASN  28  -7.182   5.385   6.995
  193   1HB   ASN  28           HB2      ASN  28  -9.529   6.611   7.155
  194   2HB   ASN  28           HB1      ASN  28 -10.097   4.985   7.533
  195   1HD2  ASN  28          HD22      ASN  28  -8.343   7.070  10.429
  196   2HD2  ASN  28          HD21      ASN  28  -8.997   7.749   9.018
  197    H    LYS  29           HN       LYS  29  -7.771   3.335   4.772
  198    HA   LYS  29           HA       LYS  29  -8.551   1.039   6.477
  199   1HB   LYS  29           HB2      LYS  29  -9.670   1.236   4.313
  200   2HB   LYS  29           HB1      LYS  29  -8.114   1.246   3.489
  201   1HG   LYS  29           HG2      LYS  29  -7.907  -0.981   3.627
  202   2HG   LYS  29           HG1      LYS  29  -8.390  -1.002   5.322
  203   1HD   LYS  29           HD2      LYS  29 -10.596  -0.361   3.491
  204   2HD   LYS  29           HD1      LYS  29  -9.919  -1.969   3.233
  205   1HE   LYS  29           HE2      LYS  29 -10.665  -2.745   5.243
  206   2HE   LYS  29           HE1      LYS  29 -10.321  -1.224   6.067
  207   1HZ   LYS  29           HZ2      LYS  29 -12.371  -0.772   4.222
  208   2HZ   LYS  29           HZ1      LYS  29 -12.781  -2.162   5.109
  209   3HZ   LYS  29           HZ3      LYS  29 -12.454  -0.708   5.918
  210    H    THR  30           HN       THR  30  -6.935  -0.069   7.395
  211    HA   THR  30           HA       THR  30  -4.159   0.371   6.715
  212    HB   THR  30           HB       THR  30  -5.532  -1.693   8.459
  213    HG1  THR  30           HG1      THR  30  -4.243   0.757   8.785
  214   1HG2  THR  30          HG23      THR  30  -2.633  -1.364   7.705
  215   2HG2  THR  30          HG22      THR  30  -3.071  -1.990   9.294
  216   3HG2  THR  30          HG21      THR  30  -3.579  -2.847   7.840
  217    H    TYR  31           HN       TYR  31  -2.709  -1.175   5.772
  218    HA   TYR  31           HA       TYR  31  -4.030  -3.389   4.302
  219   1HB   TYR  31           HB2      TYR  31  -2.341  -1.169   3.141
  220   2HB   TYR  31           HB1      TYR  31  -2.276  -2.771   2.457
  221    HD1  TYR  31           HD2      TYR  31  -4.614  -3.944   2.038
  222    HD2  TYR  31           HD1      TYR  31  -4.033   0.288   2.461
  223    HE1  TYR  31           HE2      TYR  31  -6.773  -3.536   0.893
  224    HE2  TYR  31           HE1      TYR  31  -6.196   0.698   1.319
  225    HH   TYR  31           HH       TYR  31  -8.287  -2.003   0.321
  226    H    GLY  32           HN       GLY  32  -3.026  -5.254   4.759
  227   1HA   GLY  32           HA2      GLY  32  -1.218  -5.875   6.583
  228   2HA   GLY  32           HA1      GLY  32  -1.124  -6.717   5.050
  229    H    ASN  33           HN       ASN  33  -0.086  -4.879   3.337
  230    HA   ASN  33           HA       ASN  33   2.080  -3.405   4.520
  231   1HB   ASN  33           HB2      ASN  33   3.931  -4.758   3.500
  232   2HB   ASN  33           HB1      ASN  33   3.089  -5.575   4.803
  233   1HD2  ASN  33          HD22      ASN  33   3.210  -8.195   2.319
  234   2HD2  ASN  33          HD21      ASN  33   4.152  -7.490   3.539
  235    H    LYS  34           HN       LYS  34   3.820  -3.378   2.305
  236    HA   LYS  34           HA       LYS  34   2.697  -1.389   0.746
  237   1HB   LYS  34           HB2      LYS  34   4.518  -1.880  -0.892
  238   2HB   LYS  34           HB1      LYS  34   5.077  -1.762   0.776
  239   1HG   LYS  34           HG2      LYS  34   5.990  -3.796   0.504
  240   2HG   LYS  34           HG1      LYS  34   4.350  -4.447   0.480
  241   1HD   LYS  34           HD2      LYS  34   4.238  -4.333  -1.902
  242   2HD   LYS  34           HD1      LYS  34   5.696  -3.345  -1.996
  243   1HE   LYS  34           HE2      LYS  34   5.932  -6.001  -0.668
  244   2HE   LYS  34           HE1      LYS  34   5.751  -5.988  -2.423
  245   1HZ   LYS  34           HZ2      LYS  34   7.567  -4.160  -2.269
  246   2HZ   LYS  34           HZ1      LYS  34   7.906  -4.875  -0.766
  247   3HZ   LYS  34           HZ3      LYS  34   8.010  -5.799  -2.184
  248    H    CYS  35           HN       CYS  35   2.625  -4.892  -0.057
  249    HA   CYS  35           HA       CYS  35   1.463  -4.403  -2.636
  250   1HB   CYS  35           HB2      CYS  35   0.967  -6.908  -1.047
  251   2HB   CYS  35           HB1      CYS  35   1.191  -6.718  -2.777
  252    H    ASN  36           HN       ASN  36  -0.078  -5.817   0.268
  253    HA   ASN  36           HA       ASN  36  -2.727  -5.656  -0.470
  254   1HB   ASN  36           HB2      ASN  36  -1.479  -5.063   2.212
  255   2HB   ASN  36           HB1      ASN  36  -3.219  -5.185   1.975
  256   1HD2  ASN  36          HD22      ASN  36  -0.921  -8.574   1.712
  257   2HD2  ASN  36          HD21      ASN  36  -0.181  -7.049   1.662
  258    H    PHE  37           HN       PHE  37  -0.608  -2.978   0.393
  259    HA   PHE  37           HA       PHE  37  -2.733  -0.996   0.596
  260   1HB   PHE  37           HB2      PHE  37  -0.557  -0.635   1.619
  261   2HB   PHE  37           HB1      PHE  37   0.251  -0.696   0.192
  262    HD1  PHE  37           HD1      PHE  37  -2.817   1.080   1.277
  263    HD2  PHE  37           HD2      PHE  37   1.014   1.231  -0.570
  264    HE1  PHE  37           HE1      PHE  37  -3.154   3.512   0.823
  265    HE2  PHE  37           HE2      PHE  37   0.724   3.665  -1.023
  266    HZ   PHE  37           HZ       PHE  37  -1.372   4.803  -0.318
  267    H    CYS  38           HN       CYS  38  -0.347  -1.836  -1.760
  268    HA   CYS  38           HA       CYS  38  -0.943   0.010  -3.787
  269   1HB   CYS  38           HB2      CYS  38   0.137  -2.806  -3.973
  270   2HB   CYS  38           HB1      CYS  38   0.023  -1.712  -5.348
  271    H    ASN  39           HN       ASN  39  -2.195  -3.368  -3.554
  272    HA   ASN  39           HA       ASN  39  -3.826  -3.415  -5.785
  273   1HB   ASN  39           HB2      ASN  39  -5.374  -4.321  -3.473
  274   2HB   ASN  39           HB1      ASN  39  -4.801  -5.228  -4.867
  275   1HD2  ASN  39          HD22      ASN  39  -2.137  -6.681  -3.093
  276   2HD2  ASN  39          HD21      ASN  39  -3.092  -6.673  -4.497
  277    H    ALA  40           HN       ALA  40  -4.230  -1.431  -2.946
  278    HA   ALA  40           HA       ALA  40  -6.955  -0.619  -3.618
  279   1HB   ALA  40           HB3      ALA  40  -4.883   0.589  -1.751
  280   2HB   ALA  40           HB2      ALA  40  -6.558   1.130  -1.870
  281   3HB   ALA  40           HB1      ALA  40  -6.195  -0.494  -1.286
  282    H    VAL  41           HN       VAL  41  -3.709   0.802  -3.829
  283    HA   VAL  41           HA       VAL  41  -4.418   3.234  -5.129
  284    HB   VAL  41           HB       VAL  41  -1.883   1.593  -5.412
  285   1HG1  VAL  41          HG13      VAL  41  -2.373   3.561  -7.035
  286   2HG1  VAL  41          HG12      VAL  41  -2.119   4.589  -5.625
  287   3HG1  VAL  41          HG11      VAL  41  -0.822   3.540  -6.197
  288   1HG2  VAL  41          HG22      VAL  41  -2.657   3.757  -3.432
  289   2HG2  VAL  41          HG21      VAL  41  -2.420   2.048  -3.065
  290   3HG2  VAL  41          HG23      VAL  41  -1.053   3.039  -3.572
  291    H    VAL  42           HN       VAL  42  -4.031  -0.018  -6.399
  292    HA   VAL  42           HA       VAL  42  -4.053   0.928  -9.187
  293    HB   VAL  42           HB       VAL  42  -3.815  -1.477  -9.730
  294   1HG1  VAL  42          HG12      VAL  42  -1.930   0.140  -8.733
  295   2HG1  VAL  42          HG11      VAL  42  -1.927  -1.080  -7.460
  296   3HG1  VAL  42          HG13      VAL  42  -1.594  -1.546  -9.128
  297   1HG2  VAL  42          HG21      VAL  42  -4.619  -1.706  -6.900
  298   2HG2  VAL  42          HG23      VAL  42  -4.828  -2.853  -8.222
  299   3HG2  VAL  42          HG22      VAL  42  -3.282  -2.748  -7.379
  300    H    GLU  43           HN       GLU  43  -6.220  -0.397  -6.814
  301    HA   GLU  43           HA       GLU  43  -8.296  -0.934  -8.840
  302   1HB   GLU  43           HB2      GLU  43  -7.752  -2.155  -6.463
  303   2HB   GLU  43           HB1      GLU  43  -8.996  -1.013  -5.965
  304   1HG   GLU  43           HG2      GLU  43 -10.526  -1.857  -7.632
  305   2HG   GLU  43           HG1      GLU  43  -9.267  -2.877  -8.331
  306    H    SER  44           HN       SER  44  -7.096   1.753  -7.373
  307    HA   SER  44           HA       SER  44  -9.785   3.039  -7.295
  308   1HB   SER  44           HB2      SER  44  -9.092   3.339  -5.113
  309   2HB   SER  44           HB1      SER  44  -7.385   3.320  -5.541
  310    HG   SER  44           HG       SER  44  -8.508   5.412  -4.938
  311    H    ASN  45           HN       ASN  45  -7.724   2.679  -9.542
  312    HA   ASN  45           HA       ASN  45  -6.979   3.989 -11.336
  313   1HB   ASN  45           HB2      ASN  45  -9.049   5.002 -11.626
  314   2HB   ASN  45           HB1      ASN  45  -9.073   5.704 -10.031
  315   1HD2  ASN  45          HD22      ASN  45  -6.565   7.628 -12.646
  316   2HD2  ASN  45          HD21      ASN  45  -6.443   5.949 -12.451
  317    H    GLY  46           HN       GLY  46  -5.312   3.668  -9.248
  318   1HA   GLY  46           HA2      GLY  46  -3.632   4.644  -7.917
  319   2HA   GLY  46           HA1      GLY  46  -3.156   5.261  -9.476
  320    H    THR  47           HN       THR  47  -6.011   6.202  -7.578
  321    HA   THR  47           HA       THR  47  -4.832   8.949  -7.397
  322    HB   THR  47           HB       THR  47  -7.091   9.819  -7.335
  323    HG1  THR  47           HG1      THR  47  -7.647   7.173  -6.793
  324   1HG2  THR  47          HG22      THR  47  -5.960   8.659  -9.522
  325   2HG2  THR  47          HG21      THR  47  -7.505   7.814  -9.453
  326   3HG2  THR  47          HG23      THR  47  -7.470   9.572  -9.563
  327    H    LEU  48           HN       LEU  48  -5.299   6.214  -5.650
  328    HA   LEU  48           HA       LEU  48  -6.308   7.349  -3.179
  329   1HB   LEU  48           HB2      LEU  48  -6.791   5.096  -3.228
  330   2HB   LEU  48           HB1      LEU  48  -5.362   4.705  -4.176
  331    HG   LEU  48           HG       LEU  48  -4.067   5.312  -1.957
  332   1HD1  LEU  48          HD11      LEU  48  -6.928   5.056  -1.127
  333   2HD1  LEU  48          HD13      LEU  48  -5.679   4.410  -0.062
  334   3HD1  LEU  48          HD12      LEU  48  -5.670   6.118  -0.495
  335   1HD2  LEU  48          HD22      LEU  48  -4.941   2.969  -3.159
  336   2HD2  LEU  48          HD21      LEU  48  -3.754   3.085  -1.860
  337   3HD2  LEU  48          HD23      LEU  48  -5.450   2.788  -1.480
  338    H    THR  49           HN       THR  49  -5.045   7.640  -1.293
  339    HA   THR  49           HA       THR  49  -2.098   7.675  -1.611
  340    HB   THR  49           HB       THR  49  -2.056   9.941  -0.545
  341    HG1  THR  49           HG1      THR  49  -4.116  11.073  -0.717
  342   1HG2  THR  49          HG21      THR  49  -2.820   9.238  -3.225
  343   2HG2  THR  49          HG23      THR  49  -3.558  10.778  -2.785
  344   3HG2  THR  49          HG22      THR  49  -1.809  10.576  -2.680
  345    H    LEU  50           HN       LEU  50  -1.048   7.425   0.456
  346    HA   LEU  50           HA       LEU  50  -2.905   6.421   2.524
  347   1HB   LEU  50           HB2      LEU  50  -1.368   4.817   2.840
  348   2HB   LEU  50           HB1      LEU  50  -0.513   5.462   1.451
  349    HG   LEU  50           HG       LEU  50   0.020   6.767   4.085
  350   1HD1  LEU  50          HD12      LEU  50  -0.118   4.258   4.414
  351   2HD1  LEU  50          HD11      LEU  50   1.251   4.144   3.307
  352   3HD1  LEU  50          HD13      LEU  50   1.419   5.014   4.829
  353   1HD2  LEU  50          HD22      LEU  50   1.564   6.008   1.601
  354   2HD2  LEU  50          HD21      LEU  50   1.269   7.624   2.245
  355   3HD2  LEU  50          HD23      LEU  50   2.378   6.533   3.076
  356    H    SER  51           HN       SER  51  -1.931   6.882   4.910
  357    HA   SER  51           HA       SER  51  -1.465   9.833   4.991
  358   1HB   SER  51           HB2      SER  51  -3.528   8.413   6.194
  359   2HB   SER  51           HB1      SER  51  -2.355   8.507   7.448
  360    HG   SER  51           HG       SER  51  -3.906  10.317   7.192
  361    H    HIS  52           HN       HIS  52  -0.339   6.701   5.919
  362    HA   HIS  52           HA       HIS  52   2.268   7.587   6.647
  363   1HB   HIS  52           HB2      HIS  52   2.154   7.276   9.086
  364   2HB   HIS  52           HB1      HIS  52   1.053   8.558   8.585
  365    HD1  HIS  52           HD1      HIS  52   0.838   6.278  11.034
  366    HD2  HIS  52           HD2      HIS  52  -1.442   6.574   7.541
  367    HE1  HIS  52           HE1      HIS  52  -1.286   4.957  11.432
  368    H    PHE  53           HN       PHE  53   3.573   5.801   7.306
  369    HA   PHE  53           HA       PHE  53   2.767   3.248   6.297
  370   1HB   PHE  53           HB2      PHE  53   5.058   4.185   8.019
  371   2HB   PHE  53           HB1      PHE  53   4.830   2.468   7.682
  372    HD1  PHE  53           HD2      PHE  53   4.746   5.734   5.831
  373    HD2  PHE  53           HD1      PHE  53   5.912   1.602   5.816
  374    HE1  PHE  53           HE2      PHE  53   5.760   6.032   3.592
  375    HE2  PHE  53           HE1      PHE  53   6.928   1.897   3.572
  376    HZ   PHE  53           HZ       PHE  53   6.852   4.112   2.460
  377    H    GLY  54           HN       GLY  54   3.409   1.352   8.201
  378   1HA   GLY  54           HA2      GLY  54   2.474   0.147   9.971
  379   2HA   GLY  54           HA1      GLY  54   2.250   1.669  10.758
  380    H    LYS  55           HN       LYS  55   0.237   0.540  11.506
  381    HA   LYS  55           HA       LYS  55  -1.937   0.486   9.503
  382   1HB   LYS  55           HB2      LYS  55  -2.778   0.105  12.272
  383   2HB   LYS  55           HB1      LYS  55  -2.964  -0.978  10.895
  384   1HG   LYS  55           HG2      LYS  55  -0.550  -1.646  11.195
  385   2HG   LYS  55           HG1      LYS  55  -0.535  -0.705  12.687
  386   1HD   LYS  55           HD2      LYS  55  -1.828  -2.215  13.816
  387   2HD   LYS  55           HD1      LYS  55  -2.776  -2.626  12.386
  388   1HE   LYS  55           HE2      LYS  55  -1.523  -4.470  12.090
  389   2HE   LYS  55           HE1      LYS  55  -0.088  -3.460  11.916
  390   1HZ   LYS  55           HZ2      LYS  55  -1.150  -4.007  14.601
  391   2HZ   LYS  55           HZ1      LYS  55  -0.228  -5.200  13.816
  392   3HZ   LYS  55           HZ3      LYS  55   0.445  -3.674  14.119
  393    H    CYS  56           HN       CYS  56  -4.087   1.544  10.453
  394    HA   CYS  56           HA       CYS  56  -3.438   4.370  10.840
  395   1HB   CYS  56           HB2      CYS  56  -6.225   3.258  11.015
  396   2HB   CYS  56           HB1      CYS  56  -5.684   4.799  10.351
   
  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   9.850  13.766  10.781
    2   2H    LEU   1           HT2      LEU   1  10.020  15.268  10.003
    3   3H    LEU   1           HT1      LEU   1   8.602  14.911  10.869
    4    HA   LEU   1           HA       LEU   1   7.686  14.187   9.003
    5   1HB   LEU   1           HB2      LEU   1   8.928  14.199   6.905
    6   2HB   LEU   1           HB1      LEU   1   9.384  15.618   7.847
    7    HG   LEU   1           HG       LEU   1  11.135  13.599   8.696
    8   1HD1  LEU   1          HD11      LEU   1  10.333  12.381   6.606
    9   2HD1  LEU   1          HD13      LEU   1  11.071  13.682   5.670
   10   3HD1  LEU   1          HD12      LEU   1  12.073  12.657   6.700
   11   1HD2  LEU   1          HD21      LEU   1  11.272  16.203   7.946
   12   2HD2  LEU   1          HD23      LEU   1  12.699  15.189   8.161
   13   3HD2  LEU   1          HD22      LEU   1  12.033  15.445   6.548
   14    H    ALA   2           HN       ALA   2   7.287  12.159   7.919
   15    HA   ALA   2           HA       ALA   2   9.024   9.925   8.901
   16   1HB   ALA   2           HB2      ALA   2   6.167  10.373   9.169
   17   2HB   ALA   2           HB1      ALA   2   6.492   8.861   8.322
   18   3HB   ALA   2           HB3      ALA   2   7.175   9.139   9.924
   19    H    ALA   3           HN       ALA   3   7.964  11.584   6.191
   20    HA   ALA   3           HA       ALA   3   8.390  11.121   3.917
   21   1HB   ALA   3           HB1      ALA   3  10.203   9.552   5.060
   22   2HB   ALA   3           HB3      ALA   3   9.106   8.277   4.531
   23   3HB   ALA   3           HB2      ALA   3   9.814   9.378   3.349
   24    H    VAL   4           HN       VAL   4   7.066  10.298   2.268
   25    HA   VAL   4           HA       VAL   4   5.207   8.091   2.840
   26    HB   VAL   4           HB       VAL   4   3.919  10.655   1.974
   27   1HG1  VAL   4          HG13      VAL   4   2.867   8.279   2.125
   28   2HG1  VAL   4          HG12      VAL   4   2.866   8.561   3.867
   29   3HG1  VAL   4          HG11      VAL   4   1.964   9.636   2.797
   30   1HG2  VAL   4          HG21      VAL   4   4.533   9.915   4.854
   31   2HG2  VAL   4          HG23      VAL   4   5.225  11.279   3.976
   32   3HG2  VAL   4          HG22      VAL   4   3.500  11.247   4.339
   33    H    SER   5           HN       SER   5   6.220   7.119   0.991
   34    HA   SER   5           HA       SER   5   5.044   7.878  -1.547
   35   1HB   SER   5           HB2      SER   5   7.216   8.354  -2.697
   36   2HB   SER   5           HB1      SER   5   6.776   9.581  -1.513
   37    HG   SER   5           HG       SER   5   8.907   7.894  -1.575
   38    H    VAL   6           HN       VAL   6   4.440   5.614  -1.347
   39    HA   VAL   6           HA       VAL   6   6.672   3.662  -1.574
   40    HB   VAL   6           HB       VAL   6   3.714   3.402  -1.013
   41   1HG1  VAL   6          HG13      VAL   6   5.656   1.348  -2.020
   42   2HG1  VAL   6          HG12      VAL   6   4.435   0.864  -0.844
   43   3HG1  VAL   6          HG11      VAL   6   3.944   1.543  -2.396
   44   1HG2  VAL   6          HG22      VAL   6   6.195   3.363   0.502
   45   2HG2  VAL   6          HG21      VAL   6   4.533   3.425   1.091
   46   3HG2  VAL   6          HG23      VAL   6   5.286   1.870   0.737
   47    H    ASP   7           HN       ASP   7   6.783   2.233  -3.396
   48    HA   ASP   7           HA       ASP   7   5.555   3.388  -5.836
   49   1HB   ASP   7           HB2      ASP   7   8.070   2.755  -5.554
   50   2HB   ASP   7           HB1      ASP   7   7.514   1.100  -5.809
   51    H    CYS   8           HN       CYS   8   3.896   2.385  -6.875
   52    HA   CYS   8           HA       CYS   8   3.408  -0.496  -6.313
   53   1HB   CYS   8           HB2      CYS   8   1.312   1.697  -6.243
   54   2HB   CYS   8           HB1      CYS   8   0.989  -0.028  -6.097
   55    H    SER   9           HN       SER   9   4.642   0.394  -8.624
   56    HA   SER   9           HA       SER   9   2.584   0.788 -10.689
   57   1HB   SER   9           HB2      SER   9   4.528   0.831 -12.248
   58   2HB   SER   9           HB1      SER   9   4.695   1.990 -10.934
   59    HG   SER   9           HG       SER   9   6.482   0.357 -11.549
   60    H    GLU  10           HN       GLU  10   4.593  -1.768  -9.434
   61    HA   GLU  10           HA       GLU  10   4.112  -3.621 -11.616
   62   1HB   GLU  10           HB2      GLU  10   4.759  -4.466  -8.798
   63   2HB   GLU  10           HB1      GLU  10   5.285  -5.194 -10.318
   64   1HG   GLU  10           HG2      GLU  10   6.237  -2.616  -9.058
   65   2HG   GLU  10           HG1      GLU  10   7.193  -4.033  -9.488
   66    H    TYR  11           HN       TYR  11   2.158  -2.398  -9.165
   67    HA   TYR  11           HA       TYR  11   0.570  -4.777  -8.679
   68   1HB   TYR  11           HB2      TYR  11   0.301  -1.846  -7.983
   69   2HB   TYR  11           HB1      TYR  11  -0.911  -3.031  -7.512
   70    HD1  TYR  11           HD2      TYR  11   2.591  -1.971  -7.125
   71    HD2  TYR  11           HD1      TYR  11  -0.420  -4.747  -5.832
   72    HE1  TYR  11           HE2      TYR  11   4.046  -2.670  -5.243
   73    HE2  TYR  11           HE1      TYR  11   1.046  -5.455  -3.948
   74    HH   TYR  11           HH       TYR  11   4.319  -4.678  -3.787
   75    HA   PRO  12           HA       PRO  12  -1.534  -4.652  -7.932
   76   1HB   PRO  12           HB2      PRO  12  -3.727  -6.201  -8.555
   77   2HB   PRO  12           HB1      PRO  12  -3.824  -4.480  -8.153
   78   1HG   PRO  12           HG2      PRO  12  -4.208  -5.785 -10.772
   79   2HG   PRO  12           HG1      PRO  12  -4.662  -4.151 -10.265
   80   1HD   PRO  12           HD2      PRO  12  -2.367  -4.961 -11.802
   81   2HD   PRO  12           HD1      PRO  12  -2.835  -3.324 -11.423
   82    H    LYS  13           HN       LYS  13  -0.830  -6.591  -7.050
   83    HA   LYS  13           HA       LYS  13  -0.046  -8.733  -8.987
   84   1HB   LYS  13           HB2      LYS  13   1.226  -7.842  -6.387
   85   2HB   LYS  13           HB1      LYS  13   1.713  -9.279  -7.277
   86   1HG   LYS  13           HG2      LYS  13   2.231  -7.893  -9.250
   87   2HG   LYS  13           HG1      LYS  13   1.743  -6.451  -8.359
   88   1HD   LYS  13           HD2      LYS  13   4.063  -6.451  -8.050
   89   2HD   LYS  13           HD1      LYS  13   3.494  -7.264  -6.591
   90   1HE   LYS  13           HE2      LYS  13   3.773  -9.246  -8.621
   91   2HE   LYS  13           HE1      LYS  13   5.249  -8.280  -8.612
   92   1HZ   LYS  13           HZ3      LYS  13   3.999  -9.519  -6.220
   93   2HZ   LYS  13           HZ2      LYS  13   5.356 -10.127  -7.043
   94   3HZ   LYS  13           HZ1      LYS  13   5.444  -8.631  -6.243
   95    HA   PRO  14           HA       PRO  14  -2.772 -11.254  -6.554
   96   1HB   PRO  14           HB2      PRO  14  -2.168 -13.637  -7.786
   97   2HB   PRO  14           HB1      PRO  14  -3.225 -12.405  -8.495
   98   1HG   PRO  14           HG2      PRO  14  -0.436 -13.126  -9.230
   99   2HG   PRO  14           HG1      PRO  14  -1.691 -12.361 -10.216
  100   1HD   PRO  14           HD2      PRO  14   0.498 -11.064  -8.999
  101   2HD   PRO  14           HD1      PRO  14  -0.880 -10.275  -9.722
  102    H    ALA  15           HN       ALA  15   0.327 -10.901  -6.014
  103    HA   ALA  15           HA       ALA  15   0.406 -12.980  -3.906
  104   1HB   ALA  15           HB3      ALA  15   1.976 -13.086  -6.316
  105   2HB   ALA  15           HB2      ALA  15   3.045 -12.800  -4.943
  106   3HB   ALA  15           HB1      ALA  15   1.980 -14.205  -4.953
  107    H    CYS  16           HN       CYS  16   1.029 -12.003  -2.030
  108    HA   CYS  16           HA       CYS  16   2.471  -9.394  -2.260
  109   1HB   CYS  16           HB2      CYS  16   0.731 -10.394   0.013
  110   2HB   CYS  16           HB1      CYS  16   1.451  -8.793  -0.126
  111    H    THR  17           HN       THR  17   4.384  -9.137  -1.125
  112    HA   THR  17           HA       THR  17   5.887 -11.409  -0.337
  113    HB   THR  17           HB       THR  17   7.200  -9.578   1.029
  114    HG1  THR  17           HG1      THR  17   6.687  -7.497   0.275
  115   1HG2  THR  17          HG23      THR  17   7.783 -10.573  -1.220
  116   2HG2  THR  17          HG22      THR  17   6.898  -9.241  -1.963
  117   3HG2  THR  17          HG21      THR  17   8.330  -8.914  -0.986
  118    H    LEU  18           HN       LEU  18   6.872 -11.059   2.197
  119    HA   LEU  18           HA       LEU  18   4.421 -11.434   3.864
  120   1HB   LEU  18           HB2      LEU  18   7.085 -12.465   4.758
  121   2HB   LEU  18           HB1      LEU  18   5.478 -13.140   5.020
  122    HG   LEU  18           HG       LEU  18   5.662 -13.306   2.302
  123   1HD1  LEU  18          HD11      LEU  18   8.280 -12.719   3.138
  124   2HD1  LEU  18          HD13      LEU  18   8.275 -14.457   2.833
  125   3HD1  LEU  18          HD12      LEU  18   7.791 -13.337   1.560
  126   1HD2  LEU  18          HD21      LEU  18   6.167 -15.149   4.587
  127   2HD2  LEU  18          HD23      LEU  18   4.979 -15.267   3.290
  128   3HD2  LEU  18          HD22      LEU  18   6.656 -15.721   2.992
  129    H    GLU  19           HN       GLU  19   7.439  -9.706   3.546
  130    HA   GLU  19           HA       GLU  19   8.030  -8.779   6.057
  131   1HB   GLU  19           HB2      GLU  19   7.871  -7.285   3.438
  132   2HB   GLU  19           HB1      GLU  19   8.468  -6.523   4.915
  133   1HG   GLU  19           HG2      GLU  19  10.440  -7.586   4.759
  134   2HG   GLU  19           HG1      GLU  19   9.652  -9.143   4.538
  135    H    TYR  20           HN       TYR  20   6.841  -7.928   7.615
  136    HA   TYR  20           HA       TYR  20   4.130  -6.988   7.035
  137   1HB   TYR  20           HB2      TYR  20   4.614  -8.353   9.013
  138   2HB   TYR  20           HB1      TYR  20   5.583  -7.044   9.684
  139    HD1  TYR  20           HD2      TYR  20   2.372  -6.973   7.772
  140    HD2  TYR  20           HD1      TYR  20   4.342  -6.193  11.507
  141    HE1  TYR  20           HE2      TYR  20   0.298  -5.931   8.642
  142    HE2  TYR  20           HE1      TYR  20   2.269  -5.146  12.381
  143    HH   TYR  20           HH       TYR  20  -0.107  -5.161  11.970
  144    H    ARG  21           HN       ARG  21   3.966  -5.084   6.214
  145    HA   ARG  21           HA       ARG  21   5.116  -2.740   7.642
  146   1HB   ARG  21           HB2      ARG  21   5.163  -2.970   4.615
  147   2HB   ARG  21           HB1      ARG  21   5.877  -1.696   5.601
  148   1HG   ARG  21           HG2      ARG  21   6.903  -4.256   6.444
  149   2HG   ARG  21           HG1      ARG  21   7.124  -4.071   4.706
  150   1HD   ARG  21           HD2      ARG  21   7.815  -1.810   6.565
  151   2HD   ARG  21           HD1      ARG  21   8.954  -3.134   6.320
  152    HE   ARG  21           HE       ARG  21   7.941  -1.944   3.838
  153   1HH1  ARG  21          HH21      ARG  21  10.373  -2.881   3.180
  154   2HH1  ARG  21          HH22      ARG  21  11.553  -1.687   3.603
  155   1HH2  ARG  21          HH11      ARG  21   9.442   0.021   5.758
  156   2HH2  ARG  21          HH12      ARG  21  11.027  -0.045   5.062
  157    HA   PRO  22           HA       PRO  22   0.611  -2.615   6.687
  158   1HB   PRO  22           HB2      PRO  22  -0.025  -1.374   9.076
  159   2HB   PRO  22           HB1      PRO  22   0.008  -3.138   8.829
  160   1HG   PRO  22           HG2      PRO  22   2.043  -1.377  10.161
  161   2HG   PRO  22           HG1      PRO  22   1.609  -3.059  10.519
  162   1HD   PRO  22           HD2      PRO  22   3.888  -2.329   9.115
  163   2HD   PRO  22           HD1      PRO  22   3.091  -3.911   8.951
  164    H    LEU  23           HN       LEU  23   0.213  -0.996   5.247
  165    HA   LEU  23           HA       LEU  23   0.975   1.763   6.091
  166   1HB   LEU  23           HB2      LEU  23   0.446   0.879   3.257
  167   2HB   LEU  23           HB1      LEU  23   1.371   2.274   3.824
  168    HG   LEU  23           HG       LEU  23   2.541  -0.021   5.008
  169   1HD1  LEU  23          HD11      LEU  23   1.842  -0.333   2.094
  170   2HD1  LEU  23          HD13      LEU  23   3.257  -1.118   2.794
  171   3HD1  LEU  23          HD12      LEU  23   1.646  -1.502   3.400
  172   1HD2  LEU  23          HD22      LEU  23   3.283   2.326   3.781
  173   2HD2  LEU  23          HD21      LEU  23   4.387   1.079   4.360
  174   3HD2  LEU  23          HD23      LEU  23   3.886   1.095   2.670
  175    H    CYS  24           HN       CYS  24  -0.674   3.243   6.193
  176    HA   CYS  24           HA       CYS  24  -3.395   2.160   5.762
  177   1HB   CYS  24           HB2      CYS  24  -2.896   3.408   7.868
  178   2HB   CYS  24           HB1      CYS  24  -2.618   4.851   6.915
  179    H    GLY  25           HN       GLY  25  -4.990   3.483   4.552
  180   1HA   GLY  25           HA2      GLY  25  -3.725   5.083   2.386
  181   2HA   GLY  25           HA1      GLY  25  -4.790   3.819   2.033
  182    H    SER  26           HN       SER  26  -5.173   6.459   1.185
  183    HA   SER  26           HA       SER  26  -6.634   8.211   2.739
  184   1HB   SER  26           HB2      SER  26  -6.295   8.972   0.576
  185   2HB   SER  26           HB1      SER  26  -6.802   7.451  -0.155
  186    HG   SER  26           HG       SER  26  -8.292   9.368  -0.202
  187    H    ASP  27           HN       ASP  27  -7.702   5.038   1.756
  188    HA   ASP  27           HA       ASP  27 -10.532   5.651   2.303
  189   1HB   ASP  27           HB2      ASP  27 -10.682   3.053   2.068
  190   2HB   ASP  27           HB1      ASP  27 -10.348   4.021   0.632
  191    H    ASN  28           HN       ASN  28  -8.405   5.877   4.443
  192    HA   ASN  28           HA       ASN  28  -8.128   5.299   6.702
  193   1HB   ASN  28           HB2      ASN  28 -11.097   4.883   6.277
  194   2HB   ASN  28           HB1      ASN  28 -10.328   4.829   7.863
  195   1HD2  ASN  28          HD22      ASN  28  -9.857   8.341   8.066
  196   2HD2  ASN  28          HD21      ASN  28  -9.463   6.835   8.741
  197    H    LYS  29           HN       LYS  29  -8.062   3.054   4.554
  198    HA   LYS  29           HA       LYS  29  -8.705   0.768   6.335
  199   1HB   LYS  29           HB2      LYS  29  -9.371   1.119   3.749
  200   2HB   LYS  29           HB1      LYS  29  -7.824   0.303   3.536
  201   1HG   LYS  29           HG2      LYS  29  -8.938  -1.179   5.531
  202   2HG   LYS  29           HG1      LYS  29 -10.371  -0.721   4.612
  203   1HD   LYS  29           HD2      LYS  29  -9.848  -2.154   2.950
  204   2HD   LYS  29           HD1      LYS  29  -8.215  -1.498   2.832
  205   1HE   LYS  29           HE2      LYS  29  -8.152  -3.888   3.433
  206   2HE   LYS  29           HE1      LYS  29  -7.516  -2.896   4.746
  207   1HZ   LYS  29           HZ3      LYS  29 -10.377  -3.554   4.709
  208   2HZ   LYS  29           HZ2      LYS  29  -9.268  -4.734   5.225
  209   3HZ   LYS  29           HZ1      LYS  29  -9.361  -3.240   6.031
  210    H    THR  30           HN       THR  30  -7.098  -0.648   6.977
  211    HA   THR  30           HA       THR  30  -4.326   0.306   6.656
  212    HB   THR  30           HB       THR  30  -5.464  -2.028   8.228
  213    HG1  THR  30           HG1      THR  30  -6.070  -0.037   9.058
  214   1HG2  THR  30          HG23      THR  30  -2.677  -0.841   8.094
  215   2HG2  THR  30          HG22      THR  30  -3.210  -1.942   9.364
  216   3HG2  THR  30          HG21      THR  30  -3.152  -2.491   7.690
  217    H    TYR  31           HN       TYR  31  -2.636  -1.164   5.907
  218    HA   TYR  31           HA       TYR  31  -3.601  -3.402   4.216
  219   1HB   TYR  31           HB2      TYR  31  -1.683  -1.217   3.293
  220   2HB   TYR  31           HB1      TYR  31  -2.088  -2.663   2.423
  221    HD1  TYR  31           HD2      TYR  31  -4.595  -3.146   1.944
  222    HD2  TYR  31           HD1      TYR  31  -3.043   0.694   3.078
  223    HE1  TYR  31           HE2      TYR  31  -6.631  -2.057   1.037
  224    HE2  TYR  31           HE1      TYR  31  -5.076   1.784   2.173
  225    HH   TYR  31           HH       TYR  31  -6.872   1.420   0.750
  226    H    GLY  32           HN       GLY  32  -2.743  -4.979   5.476
  227   1HA   GLY  32           HA2      GLY  32  -0.798  -5.316   7.176
  228   2HA   GLY  32           HA1      GLY  32  -0.884  -6.481   5.874
  229    H    ASN  33           HN       ASN  33   0.234  -5.362   3.721
  230    HA   ASN  33           HA       ASN  33   2.717  -4.021   4.657
  231   1HB   ASN  33           HB2      ASN  33   4.111  -5.512   3.273
  232   2HB   ASN  33           HB1      ASN  33   3.279  -6.389   4.549
  233   1HD2  ASN  33          HD22      ASN  33   2.740  -8.441   1.565
  234   2HD2  ASN  33          HD21      ASN  33   3.996  -8.068   2.642
  235    H    LYS  34           HN       LYS  34   4.107  -3.860   2.377
  236    HA   LYS  34           HA       LYS  34   2.964  -1.681   1.039
  237   1HB   LYS  34           HB2      LYS  34   4.667  -2.300  -0.800
  238   2HB   LYS  34           HB1      LYS  34   5.305  -1.994   0.817
  239   1HG   LYS  34           HG2      LYS  34   5.664  -4.267   1.253
  240   2HG   LYS  34           HG1      LYS  34   4.511  -4.791   0.025
  241   1HD   LYS  34           HD2      LYS  34   7.211  -3.503  -0.486
  242   2HD   LYS  34           HD1      LYS  34   6.796  -5.195  -0.757
  243   1HE   LYS  34           HE2      LYS  34   6.083  -4.660  -2.822
  244   2HE   LYS  34           HE1      LYS  34   4.833  -3.645  -2.102
  245   1HZ   LYS  34           HZ3      LYS  34   7.052  -2.129  -1.856
  246   2HZ   LYS  34           HZ2      LYS  34   7.319  -2.898  -3.347
  247   3HZ   LYS  34           HZ1      LYS  34   5.910  -1.981  -3.101
  248    H    CYS  35           HN       CYS  35   2.700  -5.131   0.233
  249    HA   CYS  35           HA       CYS  35   1.553  -4.752  -2.335
  250   1HB   CYS  35           HB2      CYS  35   2.408  -6.931  -1.606
  251   2HB   CYS  35           HB1      CYS  35   1.172  -7.004  -0.350
  252    H    ASN  36           HN       ASN  36  -0.168  -5.803   0.615
  253    HA   ASN  36           HA       ASN  36  -2.773  -5.405  -0.226
  254   1HB   ASN  36           HB2      ASN  36  -1.502  -4.916   2.469
  255   2HB   ASN  36           HB1      ASN  36  -3.240  -4.750   2.217
  256   1HD2  ASN  36          HD22      ASN  36  -1.535  -8.478   2.122
  257   2HD2  ASN  36          HD21      ASN  36  -0.552  -7.099   2.034
  258    H    PHE  37           HN       PHE  37  -0.418  -2.926   0.627
  259    HA   PHE  37           HA       PHE  37  -2.336  -0.755   0.770
  260   1HB   PHE  37           HB2      PHE  37  -0.165  -0.503   1.766
  261   2HB   PHE  37           HB1      PHE  37   0.669  -0.725   0.366
  262    HD1  PHE  37           HD1      PHE  37  -2.279   1.267   1.314
  263    HD2  PHE  37           HD2      PHE  37   1.561   1.161  -0.522
  264    HE1  PHE  37           HE1      PHE  37  -2.525   3.677   0.693
  265    HE2  PHE  37           HE2      PHE  37   1.353   3.560  -1.152
  266    HZ   PHE  37           HZ       PHE  37  -0.706   4.806  -0.547
  267    H    CYS  38           HN       CYS  38  -0.013  -1.682  -1.626
  268    HA   CYS  38           HA       CYS  38  -0.645   0.115  -3.677
  269   1HB   CYS  38           HB2      CYS  38   0.303  -2.753  -3.927
  270   2HB   CYS  38           HB1      CYS  38   0.355  -1.550  -5.213
  271    H    ASN  39           HN       ASN  39  -1.816  -3.296  -3.461
  272    HA   ASN  39           HA       ASN  39  -3.586  -3.317  -5.568
  273   1HB   ASN  39           HB2      ASN  39  -3.522  -4.582  -2.885
  274   2HB   ASN  39           HB1      ASN  39  -5.076  -4.598  -3.700
  275   1HD2  ASN  39          HD22      ASN  39  -2.553  -7.368  -4.772
  276   2HD2  ASN  39          HD21      ASN  39  -2.663  -6.632  -3.251
  277    H    ALA  40           HN       ALA  40  -3.884  -1.511  -2.582
  278    HA   ALA  40           HA       ALA  40  -6.689  -0.834  -2.945
  279   1HB   ALA  40           HB2      ALA  40  -4.876  -0.571  -0.874
  280   2HB   ALA  40           HB1      ALA  40  -5.035   1.088  -1.449
  281   3HB   ALA  40           HB3      ALA  40  -6.464   0.196  -0.927
  282    H    VAL  41           HN       VAL  41  -3.603   0.831  -3.511
  283    HA   VAL  41           HA       VAL  41  -4.646   3.215  -4.669
  284    HB   VAL  41           HB       VAL  41  -2.038   1.768  -5.246
  285   1HG1  VAL  41          HG11      VAL  41  -2.999   3.774  -6.733
  286   2HG1  VAL  41          HG13      VAL  41  -2.329   4.733  -5.413
  287   3HG1  VAL  41          HG12      VAL  41  -1.287   3.650  -6.337
  288   1HG2  VAL  41          HG21      VAL  41  -2.808   2.548  -2.818
  289   2HG2  VAL  41          HG23      VAL  41  -1.146   2.770  -3.364
  290   3HG2  VAL  41          HG22      VAL  41  -2.280   4.121  -3.417
  291    H    VAL  42           HN       VAL  42  -3.363   0.293  -6.300
  292    HA   VAL  42           HA       VAL  42  -3.966   1.047  -8.938
  293    HB   VAL  42           HB       VAL  42  -3.761  -1.308  -9.490
  294   1HG1  VAL  42          HG12      VAL  42  -1.858   0.109  -8.094
  295   2HG1  VAL  42          HG11      VAL  42  -1.966  -1.388  -7.170
  296   3HG1  VAL  42          HG13      VAL  42  -1.582  -1.439  -8.891
  297   1HG2  VAL  42          HG21      VAL  42  -4.623  -1.640  -6.651
  298   2HG2  VAL  42          HG23      VAL  42  -5.111  -2.547  -8.081
  299   3HG2  VAL  42          HG22      VAL  42  -3.542  -2.850  -7.337
  300    H    GLU  43           HN       GLU  43  -6.081  -0.287  -6.440
  301    HA   GLU  43           HA       GLU  43  -8.263  -0.595  -8.412
  302   1HB   GLU  43           HB2      GLU  43  -7.646  -2.037  -6.178
  303   2HB   GLU  43           HB1      GLU  43  -8.858  -0.938  -5.538
  304   1HG   GLU  43           HG2      GLU  43 -10.153  -1.583  -7.751
  305   2HG   GLU  43           HG1      GLU  43  -9.133  -3.021  -7.663
  306    H    SER  44           HN       SER  44  -7.009   1.795  -6.343
  307    HA   SER  44           HA       SER  44  -9.646   3.111  -6.037
  308   1HB   SER  44           HB2      SER  44  -8.344   3.124  -4.026
  309   2HB   SER  44           HB1      SER  44  -6.910   3.682  -4.883
  310    HG   SER  44           HG       SER  44  -9.152   5.073  -4.019
  311    H    ASN  45           HN       ASN  45  -7.539   2.946  -8.482
  312    HA   ASN  45           HA       ASN  45  -7.296   4.353 -10.367
  313   1HB   ASN  45           HB2      ASN  45  -9.549   5.429  -9.094
  314   2HB   ASN  45           HB1      ASN  45  -8.428   6.779  -9.216
  315   1HD2  ASN  45          HD22      ASN  45 -10.473   6.071 -12.440
  316   2HD2  ASN  45          HD21      ASN  45 -10.973   5.908 -10.826
  317    H    GLY  46           HN       GLY  46  -5.846   4.438  -7.568
  318   1HA   GLY  46           HA2      GLY  46  -3.884   5.402  -6.789
  319   2HA   GLY  46           HA1      GLY  46  -3.676   6.134  -8.371
  320    H    THR  47           HN       THR  47  -6.702   6.869  -7.063
  321    HA   THR  47           HA       THR  47  -5.826   9.626  -6.493
  322    HB   THR  47           HB       THR  47  -7.977   8.996  -7.766
  323    HG1  THR  47           HG1      THR  47  -7.552  11.068  -6.869
  324   1HG2  THR  47          HG21      THR  47  -8.459   7.356  -5.678
  325   2HG2  THR  47          HG23      THR  47  -9.333   8.787  -5.131
  326   3HG2  THR  47          HG22      THR  47  -9.746   8.037  -6.673
  327    H    LEU  48           HN       LEU  48  -5.687   6.866  -4.781
  328    HA   LEU  48           HA       LEU  48  -6.841   7.812  -2.268
  329   1HB   LEU  48           HB2      LEU  48  -7.111   5.534  -2.361
  330   2HB   LEU  48           HB1      LEU  48  -5.738   5.323  -3.434
  331    HG   LEU  48           HG       LEU  48  -4.835   6.182  -0.815
  332   1HD1  LEU  48          HD13      LEU  48  -6.528   3.693  -0.973
  333   2HD1  LEU  48          HD12      LEU  48  -5.537   4.175   0.402
  334   3HD1  LEU  48          HD11      LEU  48  -6.925   5.155  -0.072
  335   1HD2  LEU  48          HD23      LEU  48  -4.271   4.188  -2.895
  336   2HD2  LEU  48          HD22      LEU  48  -3.157   5.013  -1.805
  337   3HD2  LEU  48          HD21      LEU  48  -4.015   3.570  -1.263
  338    H    THR  49           HN       THR  49  -3.712   6.438  -3.009
  339    HA   THR  49           HA       THR  49  -1.545   7.183  -2.603
  340    HB   THR  49           HB       THR  49  -1.089   9.368  -2.087
  341    HG1  THR  49           HG1      THR  49  -2.901  10.615  -0.986
  342   1HG2  THR  49          HG23      THR  49  -3.183   8.904  -3.838
  343   2HG2  THR  49          HG22      THR  49  -3.721  10.273  -2.863
  344   3HG2  THR  49          HG21      THR  49  -2.196  10.362  -3.747
  345    H    LEU  50           HN       LEU  50  -0.173   7.039  -0.808
  346    HA   LEU  50           HA       LEU  50  -1.215   5.493   1.358
  347   1HB   LEU  50           HB2      LEU  50   1.040   5.106   0.731
  348   2HB   LEU  50           HB1      LEU  50   1.428   6.823   0.733
  349    HG   LEU  50           HG       LEU  50   0.933   6.755   3.265
  350   1HD1  LEU  50          HD12      LEU  50   0.456   3.997   2.479
  351   2HD1  LEU  50          HD11      LEU  50   1.717   4.101   3.707
  352   3HD1  LEU  50          HD13      LEU  50   0.123   4.788   4.019
  353   1HD2  LEU  50          HD21      LEU  50   3.208   6.269   1.700
  354   2HD2  LEU  50          HD23      LEU  50   3.176   6.763   3.393
  355   3HD2  LEU  50          HD22      LEU  50   3.257   5.051   2.976
  356    H    SER  51           HN       SER  51  -1.199   6.205   3.636
  357    HA   SER  51           HA       SER  51  -1.734   9.136   3.917
  358   1HB   SER  51           HB2      SER  51  -2.742   8.276   6.147
  359   2HB   SER  51           HB1      SER  51  -3.635   7.937   4.687
  360    HG   SER  51           HG       SER  51  -3.505   5.988   5.547
  361    H    HIS  52           HN       HIS  52  -0.182   6.342   5.238
  362    HA   HIS  52           HA       HIS  52   2.232   7.657   6.049
  363   1HB   HIS  52           HB2      HIS  52   1.953   7.630   8.480
  364   2HB   HIS  52           HB1      HIS  52   0.646   8.596   7.785
  365    HD1  HIS  52           HD1      HIS  52   0.477   6.841  10.520
  366    HD2  HIS  52           HD2      HIS  52  -1.049   5.811   6.784
  367    HE1  HIS  52           HE1      HIS  52  -1.312   5.081  10.919
  368    H    PHE  53           HN       PHE  53   3.548   6.077   7.429
  369    HA   PHE  53           HA       PHE  53   3.051   3.353   6.469
  370   1HB   PHE  53           HB2      PHE  53   5.244   4.571   8.172
  371   2HB   PHE  53           HB1      PHE  53   5.193   2.866   7.724
  372    HD1  PHE  53           HD2      PHE  53   5.247   6.316   6.323
  373    HD2  PHE  53           HD1      PHE  53   5.908   2.136   5.577
  374    HE1  PHE  53           HE2      PHE  53   6.237   6.866   4.121
  375    HE2  PHE  53           HE1      PHE  53   6.900   2.688   3.372
  376    HZ   PHE  53           HZ       PHE  53   7.066   5.054   2.644
  377    H    GLY  54           HN       GLY  54   3.159   1.533   8.129
  378   1HA   GLY  54           HA2      GLY  54   2.567   0.593  10.232
  379   2HA   GLY  54           HA1      GLY  54   2.270   2.190  10.836
  380    H    LYS  55           HN       LYS  55   0.318   0.798  11.668
  381    HA   LYS  55           HA       LYS  55  -1.829   0.538   9.666
  382   1HB   LYS  55           HB2      LYS  55  -2.572   0.276  12.505
  383   2HB   LYS  55           HB1      LYS  55  -2.850  -0.834  11.165
  384   1HG   LYS  55           HG2      LYS  55  -0.270  -1.274  11.343
  385   2HG   LYS  55           HG1      LYS  55  -0.452  -0.607  12.965
  386   1HD   LYS  55           HD2      LYS  55  -2.166  -2.860  11.886
  387   2HD   LYS  55           HD1      LYS  55  -0.704  -3.121  12.839
  388   1HE   LYS  55           HE2      LYS  55  -2.536  -1.173  14.047
  389   2HE   LYS  55           HE1      LYS  55  -3.242  -2.781  13.881
  390   1HZ   LYS  55           HZ1      LYS  55  -0.504  -2.620  14.876
  391   2HZ   LYS  55           HZ3      LYS  55  -1.731  -2.106  15.926
  392   3HZ   LYS  55           HZ2      LYS  55  -1.756  -3.686  15.304
  393    H    CYS  56           HN       CYS  56  -3.871   1.698   9.922
  394    HA   CYS  56           HA       CYS  56  -3.498   4.500  10.464
  395   1HB   CYS  56           HB2      CYS  56  -5.528   2.821   9.324
  396   2HB   CYS  56           HB1      CYS  56  -6.274   3.881  10.521
   
  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           HT2      LEU   1   8.064  17.145   3.172
    2   2H    LEU   1           HT1      LEU   1   7.028  17.926   4.268
    3   3H    LEU   1           HT3      LEU   1   8.385  18.741   3.660
    4    HA   LEU   1           HA       LEU   1   9.815  17.752   5.069
    5   1HB   LEU   1           HB2      LEU   1   7.223  18.181   6.222
    6   2HB   LEU   1           HB1      LEU   1   7.950  16.766   6.984
    7    HG   LEU   1           HG       LEU   1   8.579  18.851   8.162
    8   1HD1  LEU   1          HD11      LEU   1  10.190  16.768   7.540
    9   2HD1  LEU   1          HD13      LEU   1  11.120  18.086   6.826
   10   3HD1  LEU   1          HD12      LEU   1  10.716  18.121   8.542
   11   1HD2  LEU   1          HD22      LEU   1   8.507  20.160   5.907
   12   2HD2  LEU   1          HD21      LEU   1   9.718  20.617   7.104
   13   3HD2  LEU   1          HD23      LEU   1  10.175  19.619   5.724
   14    H    ALA   2           HN       ALA   2  10.419  15.926   3.656
   15    HA   ALA   2           HA       ALA   2  10.949  13.636   3.497
   16   1HB   ALA   2           HB3      ALA   2  10.639  13.820   6.084
   17   2HB   ALA   2           HB2      ALA   2   9.076  13.060   5.784
   18   3HB   ALA   2           HB1      ALA   2  10.563  12.224   5.336
   19    H    ALA   3           HN       ALA   3  10.034  12.655   1.762
   20    HA   ALA   3           HA       ALA   3   7.343  12.910   0.953
   21   1HB   ALA   3           HB2      ALA   3   9.461  10.845   0.359
   22   2HB   ALA   3           HB1      ALA   3   7.845  10.718  -0.338
   23   3HB   ALA   3           HB3      ALA   3   8.851  12.124  -0.691
   24    H    VAL   4           HN       VAL   4   5.764  10.994   0.796
   25    HA   VAL   4           HA       VAL   4   5.942   9.028   2.968
   26    HB   VAL   4           HB       VAL   4   3.695   9.786   3.901
   27   1HG1  VAL   4          HG13      VAL   4   5.981  10.218   4.938
   28   2HG1  VAL   4          HG12      VAL   4   5.912  11.824   4.213
   29   3HG1  VAL   4          HG11      VAL   4   4.711  11.346   5.413
   30   1HG2  VAL   4          HG23      VAL   4   3.222  11.267   1.895
   31   2HG2  VAL   4          HG22      VAL   4   2.978  12.044   3.460
   32   3HG2  VAL   4          HG21      VAL   4   4.434  12.383   2.525
   33    H    SER   5           HN       SER   5   5.830   7.657   1.046
   34    HA   SER   5           HA       SER   5   3.236   6.645   0.500
   35   1HB   SER   5           HB2      SER   5   4.055   8.925  -1.146
   36   2HB   SER   5           HB1      SER   5   3.650   7.504  -2.104
   37    HG   SER   5           HG       SER   5   1.655   7.993  -1.704
   38    H    VAL   6           HN       VAL   6   3.367   4.746  -0.776
   39    HA   VAL   6           HA       VAL   6   6.153   3.884  -1.361
   40    HB   VAL   6           HB       VAL   6   3.558   2.373  -0.974
   41   1HG1  VAL   6          HG12      VAL   6   6.241   1.408  -1.992
   42   2HG1  VAL   6          HG11      VAL   6   5.040   0.324  -1.290
   43   3HG1  VAL   6          HG13      VAL   6   4.666   1.221  -2.762
   44   1HG2  VAL   6          HG22      VAL   6   5.356   3.261   0.863
   45   2HG2  VAL   6          HG21      VAL   6   4.411   1.785   1.068
   46   3HG2  VAL   6          HG23      VAL   6   6.065   1.697   0.462
   47    H    ASP   7           HN       ASP   7   6.596   2.811  -3.411
   48    HA   ASP   7           HA       ASP   7   5.011   3.981  -5.623
   49   1HB   ASP   7           HB2      ASP   7   7.425   4.223  -5.789
   50   2HB   ASP   7           HB1      ASP   7   7.651   2.489  -5.568
   51    H    CYS   8           HN       CYS   8   3.573   2.755  -6.780
   52    HA   CYS   8           HA       CYS   8   3.762  -0.214  -6.474
   53   1HB   CYS   8           HB2      CYS   8   1.201   1.351  -6.855
   54   2HB   CYS   8           HB1      CYS   8   1.368  -0.349  -6.419
   55    H    SER   9           HN       SER   9   5.152   0.442  -8.538
   56    HA   SER   9           HA       SER   9   3.450   0.836 -10.923
   57   1HB   SER   9           HB2      SER   9   5.838   1.855 -10.475
   58   2HB   SER   9           HB1      SER   9   6.399   0.287 -11.049
   59    HG   SER   9           HG       SER   9   4.687   0.834 -12.795
   60    H    GLU  10           HN       GLU  10   4.917  -1.698  -9.137
   61    HA   GLU  10           HA       GLU  10   4.704  -3.598 -11.411
   62   1HB   GLU  10           HB2      GLU  10   5.553  -4.412  -8.654
   63   2HB   GLU  10           HB1      GLU  10   6.106  -5.019 -10.214
   64   1HG   GLU  10           HG2      GLU  10   6.820  -2.398  -8.885
   65   2HG   GLU  10           HG1      GLU  10   7.907  -3.709  -9.347
   66    H    TYR  11           HN       TYR  11   2.385  -2.351  -9.964
   67    HA   TYR  11           HA       TYR  11   1.128  -4.826  -8.904
   68   1HB   TYR  11           HB2      TYR  11   0.756  -1.893  -8.262
   69   2HB   TYR  11           HB1      TYR  11  -0.432  -3.098  -7.780
   70    HD1  TYR  11           HD1      TYR  11   0.235  -4.976  -6.246
   71    HD2  TYR  11           HD2      TYR  11   2.888  -1.731  -7.187
   72    HE1  TYR  11           HE1      TYR  11   1.684  -5.600  -4.322
   73    HE2  TYR  11           HE2      TYR  11   4.328  -2.349  -5.267
   74    HH   TYR  11           HH       TYR  11   4.814  -4.216  -3.866
   75    HA   PRO  12           HA       PRO  12  -0.965  -4.780  -8.127
   76   1HB   PRO  12           HB2      PRO  12  -3.132  -6.397  -8.655
   77   2HB   PRO  12           HB1      PRO  12  -3.270  -4.667  -8.302
   78   1HG   PRO  12           HG2      PRO  12  -3.666  -6.060 -10.876
   79   2HG   PRO  12           HG1      PRO  12  -4.168  -4.430 -10.403
   80   1HD   PRO  12           HD2      PRO  12  -1.877  -5.196 -11.974
   81   2HD   PRO  12           HD1      PRO  12  -2.396  -3.567 -11.610
   82    H    LYS  13           HN       LYS  13  -0.563  -6.906  -7.192
   83    HA   LYS  13           HA       LYS  13   0.465  -8.895  -9.179
   84   1HB   LYS  13           HB2      LYS  13   1.466  -8.851  -6.360
   85   2HB   LYS  13           HB1      LYS  13   2.298  -9.322  -7.840
   86   1HG   LYS  13           HG2      LYS  13   2.355  -6.943  -8.546
   87   2HG   LYS  13           HG1      LYS  13   1.598  -6.492  -7.017
   88   1HD   LYS  13           HD2      LYS  13   4.059  -6.222  -6.922
   89   2HD   LYS  13           HD1      LYS  13   3.498  -7.442  -5.779
   90   1HE   LYS  13           HE2      LYS  13   4.108  -9.229  -7.335
   91   2HE   LYS  13           HE1      LYS  13   4.589  -8.041  -8.545
   92   1HZ   LYS  13           HZ1      LYS  13   5.830  -7.689  -5.963
   93   2HZ   LYS  13           HZ3      LYS  13   6.243  -9.141  -6.737
   94   3HZ   LYS  13           HZ2      LYS  13   6.519  -7.656  -7.516
   95    HA   PRO  14           HA       PRO  14  -2.516 -11.593  -7.325
   96   1HB   PRO  14           HB2      PRO  14  -1.660 -13.901  -8.545
   97   2HB   PRO  14           HB1      PRO  14  -2.606 -12.648  -9.368
   98   1HG   PRO  14           HG2      PRO  14   0.289 -13.286  -9.633
   99   2HG   PRO  14           HG1      PRO  14  -0.800 -12.517 -10.796
  100   1HD   PRO  14           HD2      PRO  14   1.105 -11.202  -9.194
  101   2HD   PRO  14           HD1      PRO  14  -0.181 -10.430 -10.094
  102    H    ALA  15           HN       ALA  15   0.443 -11.233  -6.244
  103    HA   ALA  15           HA       ALA  15   0.171 -13.307  -4.177
  104   1HB   ALA  15           HB3      ALA  15   1.909 -13.693  -6.407
  105   2HB   ALA  15           HB2      ALA  15   2.916 -13.371  -4.995
  106   3HB   ALA  15           HB1      ALA  15   1.754 -14.698  -4.967
  107    H    CYS  16           HN       CYS  16   0.507 -12.187  -2.316
  108    HA   CYS  16           HA       CYS  16   2.198  -9.743  -2.437
  109   1HB   CYS  16           HB2      CYS  16   0.183 -10.698  -0.386
  110   2HB   CYS  16           HB1      CYS  16   1.128  -9.217  -0.235
  111    H    THR  17           HN       THR  17   4.029  -9.530  -1.203
  112    HA   THR  17           HA       THR  17   5.364 -11.890  -0.279
  113    HB   THR  17           HB       THR  17   6.762  -9.987   0.982
  114    HG1  THR  17           HG1      THR  17   5.737  -8.475  -1.128
  115   1HG2  THR  17          HG22      THR  17   6.847 -11.271  -1.535
  116   2HG2  THR  17          HG21      THR  17   7.202  -9.570  -1.835
  117   3HG2  THR  17          HG23      THR  17   8.179 -10.485  -0.688
  118    H    LEU  18           HN       LEU  18   6.333 -11.469   2.238
  119    HA   LEU  18           HA       LEU  18   3.842 -11.349   3.853
  120   1HB   LEU  18           HB2      LEU  18   5.442 -12.808   5.450
  121   2HB   LEU  18           HB1      LEU  18   4.422 -13.530   4.215
  122    HG   LEU  18           HG       LEU  18   6.763 -14.388   4.199
  123   1HD1  LEU  18          HD11      LEU  18   5.200 -13.513   1.999
  124   2HD1  LEU  18          HD13      LEU  18   6.895 -13.224   1.605
  125   3HD1  LEU  18          HD12      LEU  18   6.358 -14.842   2.057
  126   1HD2  LEU  18          HD21      LEU  18   7.452 -11.711   4.495
  127   2HD2  LEU  18          HD23      LEU  18   8.557 -13.043   4.178
  128   3HD2  LEU  18          HD22      LEU  18   7.919 -12.095   2.839
  129    H    GLU  19           HN       GLU  19   6.916  -9.926   3.381
  130    HA   GLU  19           HA       GLU  19   7.692  -9.134   5.941
  131   1HB   GLU  19           HB2      GLU  19   8.641  -7.114   4.900
  132   2HB   GLU  19           HB1      GLU  19   8.960  -8.531   3.901
  133   1HG   GLU  19           HG2      GLU  19   6.425  -7.409   3.147
  134   2HG   GLU  19           HG1      GLU  19   7.644  -6.139   3.146
  135    H    TYR  20           HN       TYR  20   6.549  -8.159   7.482
  136    HA   TYR  20           HA       TYR  20   3.961  -6.984   6.855
  137   1HB   TYR  20           HB2      TYR  20   4.520  -8.315   8.942
  138   2HB   TYR  20           HB1      TYR  20   5.316  -6.865   9.544
  139    HD1  TYR  20           HD2      TYR  20   2.217  -7.299   7.484
  140    HD2  TYR  20           HD1      TYR  20   3.905  -5.955  11.199
  141    HE1  TYR  20           HE2      TYR  20   0.011  -6.384   8.150
  142    HE2  TYR  20           HE1      TYR  20   1.698  -5.043  11.869
  143    HH   TYR  20           HH       TYR  20  -1.177  -5.827  10.270
  144    H    ARG  21           HN       ARG  21   3.537  -5.001   6.465
  145    HA   ARG  21           HA       ARG  21   4.930  -2.734   7.650
  146   1HB   ARG  21           HB2      ARG  21   5.172  -1.964   5.012
  147   2HB   ARG  21           HB1      ARG  21   6.504  -2.563   5.999
  148   1HG   ARG  21           HG2      ARG  21   6.229  -4.798   5.163
  149   2HG   ARG  21           HG1      ARG  21   4.702  -4.384   4.387
  150   1HD   ARG  21           HD2      ARG  21   6.352  -4.399   2.649
  151   2HD   ARG  21           HD1      ARG  21   6.008  -2.703   2.987
  152    HE   ARG  21           HE       ARG  21   8.436  -4.140   3.981
  153   1HH1  ARG  21          HH21      ARG  21   7.402  -1.712   1.953
  154   2HH1  ARG  21          HH22      ARG  21   8.437  -0.479   2.592
  155   1HH2  ARG  21          HH11      ARG  21   9.469  -2.380   5.302
  156   2HH2  ARG  21          HH12      ARG  21   9.607  -0.857   4.489
  157    HA   PRO  22           HA       PRO  22   0.473  -2.422   6.621
  158   1HB   PRO  22           HB2      PRO  22  -0.143  -1.074   8.958
  159   2HB   PRO  22           HB1      PRO  22  -0.162  -2.846   8.776
  160   1HG   PRO  22           HG2      PRO  22   1.907  -1.098  10.064
  161   2HG   PRO  22           HG1      PRO  22   1.421  -2.753  10.475
  162   1HD   PRO  22           HD2      PRO  22   3.733  -2.125   9.069
  163   2HD   PRO  22           HD1      PRO  22   2.907  -3.697   8.974
  164    H    LEU  23           HN       LEU  23   0.005  -0.807   5.162
  165    HA   LEU  23           HA       LEU  23   1.013   1.923   5.853
  166   1HB   LEU  23           HB2      LEU  23   0.089   1.015   3.126
  167   2HB   LEU  23           HB1      LEU  23   1.144   2.369   3.534
  168    HG   LEU  23           HG       LEU  23   2.104  -0.278   4.439
  169   1HD1  LEU  23          HD13      LEU  23   1.811   0.447   1.527
  170   2HD1  LEU  23          HD12      LEU  23   2.996  -0.724   2.107
  171   3HD1  LEU  23          HD11      LEU  23   1.273  -1.024   2.337
  172   1HD2  LEU  23          HD21      LEU  23   3.326   1.923   4.604
  173   2HD2  LEU  23          HD23      LEU  23   4.225   0.646   3.786
  174   3HD2  LEU  23          HD22      LEU  23   3.442   1.916   2.845
  175    H    CYS  24           HN       CYS  24  -0.564   3.321   6.489
  176    HA   CYS  24           HA       CYS  24  -3.369   2.519   6.302
  177   1HB   CYS  24           HB2      CYS  24  -2.390   3.851   8.248
  178   2HB   CYS  24           HB1      CYS  24  -2.308   5.205   7.156
  179    H    GLY  25           HN       GLY  25  -4.738   3.065   4.656
  180   1HA   GLY  25           HA2      GLY  25  -3.756   4.595   2.424
  181   2HA   GLY  25           HA1      GLY  25  -5.343   3.998   2.586
  182    H    SER  26           HN       SER  26  -5.704   6.339   1.604
  183    HA   SER  26           HA       SER  26  -5.496   8.492   3.591
  184   1HB   SER  26           HB2      SER  26  -5.458   9.292   1.368
  185   2HB   SER  26           HB1      SER  26  -6.802   8.266   0.882
  186    HG   SER  26           HG       SER  26  -6.799  10.744   2.027
  187    H    ASP  27           HN       ASP  27  -7.972   6.237   2.518
  188    HA   ASP  27           HA       ASP  27 -10.217   7.457   3.794
  189   1HB   ASP  27           HB2      ASP  27 -10.967   4.909   3.923
  190   2HB   ASP  27           HB1      ASP  27 -10.903   5.760   2.381
  191    H    ASN  28           HN       ASN  28  -7.445   6.037   5.123
  192    HA   ASN  28           HA       ASN  28  -6.875   6.080   7.431
  193   1HB   ASN  28           HB2      ASN  28  -9.036   7.422   7.784
  194   2HB   ASN  28           HB1      ASN  28  -9.801   5.870   8.130
  195   1HD2  ASN  28          HD22      ASN  28  -8.747   6.184  11.474
  196   2HD2  ASN  28          HD21      ASN  28 -10.030   5.926  10.394
  197    H    LYS  29           HN       LYS  29  -7.642   3.749   5.557
  198    HA   LYS  29           HA       LYS  29  -8.188   1.720   7.675
  199   1HB   LYS  29           HB2      LYS  29  -7.927   0.335   5.270
  200   2HB   LYS  29           HB1      LYS  29  -9.441   0.783   6.041
  201   1HG   LYS  29           HG2      LYS  29  -9.340   2.964   4.802
  202   2HG   LYS  29           HG1      LYS  29  -7.910   2.352   3.966
  203   1HD   LYS  29           HD2      LYS  29  -9.644   1.795   2.480
  204   2HD   LYS  29           HD1      LYS  29  -9.415   0.303   3.390
  205   1HE   LYS  29           HE2      LYS  29 -11.322   2.271   4.541
  206   2HE   LYS  29           HE1      LYS  29 -11.837   1.443   3.071
  207   1HZ   LYS  29           HZ1      LYS  29 -10.901  -0.615   4.391
  208   2HZ   LYS  29           HZ3      LYS  29 -11.288   0.355   5.727
  209   3HZ   LYS  29           HZ2      LYS  29 -12.494  -0.068   4.609
  210    H    THR  30           HN       THR  30  -6.806  -0.383   7.214
  211    HA   THR  30           HA       THR  30  -3.985   0.536   6.766
  212    HB   THR  30           HB       THR  30  -5.105  -1.457   8.756
  213    HG1  THR  30           HG1      THR  30  -3.551   0.904   8.940
  214   1HG2  THR  30          HG21      THR  30  -2.395  -1.234   7.552
  215   2HG2  THR  30          HG23      THR  30  -2.460  -1.426   9.304
  216   3HG2  THR  30          HG22      THR  30  -3.200  -2.636   8.257
  217    H    TYR  31           HN       TYR  31  -2.610  -0.912   5.649
  218    HA   TYR  31           HA       TYR  31  -3.973  -3.233   4.368
  219   1HB   TYR  31           HB2      TYR  31  -2.041  -1.231   3.137
  220   2HB   TYR  31           HB1      TYR  31  -2.338  -2.803   2.463
  221    HD1  TYR  31           HD1      TYR  31  -4.084   0.268   3.613
  222    HD2  TYR  31           HD2      TYR  31  -4.240  -3.218   1.107
  223    HE1  TYR  31           HE1      TYR  31  -6.180   1.101   2.584
  224    HE2  TYR  31           HE2      TYR  31  -6.336  -2.382   0.077
  225    HH   TYR  31           HH       TYR  31  -7.845  -0.761   0.038
  226    H    GLY  32           HN       GLY  32  -3.067  -5.098   5.000
  227   1HA   GLY  32           HA2      GLY  32  -1.188  -5.627   6.805
  228   2HA   GLY  32           HA1      GLY  32  -1.287  -6.652   5.390
  229    H    ASN  33           HN       ASN  33  -0.198  -5.091   3.387
  230    HA   ASN  33           HA       ASN  33   2.281  -3.908   4.407
  231   1HB   ASN  33           HB2      ASN  33   3.775  -5.393   3.151
  232   2HB   ASN  33           HB1      ASN  33   2.861  -6.290   4.354
  233   1HD2  ASN  33          HD22      ASN  33   2.626  -8.291   1.280
  234   2HD2  ASN  33          HD21      ASN  33   3.808  -7.879   2.422
  235    H    LYS  34           HN       LYS  34   3.741  -3.852   2.081
  236    HA   LYS  34           HA       LYS  34   2.421  -1.752   0.677
  237   1HB   LYS  34           HB2      LYS  34   4.368  -1.835  -0.841
  238   2HB   LYS  34           HB1      LYS  34   4.862  -1.883   0.850
  239   1HG   LYS  34           HG2      LYS  34   5.822  -3.901   0.585
  240   2HG   LYS  34           HG1      LYS  34   4.353  -4.567  -0.142
  241   1HD   LYS  34           HD2      LYS  34   5.068  -3.261  -2.266
  242   2HD   LYS  34           HD1      LYS  34   6.651  -3.148  -1.498
  243   1HE   LYS  34           HE2      LYS  34   6.571  -5.662  -1.202
  244   2HE   LYS  34           HE1      LYS  34   5.144  -5.666  -2.238
  245   1HZ   LYS  34           HZ3      LYS  34   7.026  -4.122  -3.536
  246   2HZ   LYS  34           HZ2      LYS  34   7.877  -5.478  -2.964
  247   3HZ   LYS  34           HZ1      LYS  34   6.517  -5.683  -3.960
  248    H    CYS  35           HN       CYS  35   2.400  -5.196   0.135
  249    HA   CYS  35           HA       CYS  35   1.655  -4.998  -2.639
  250   1HB   CYS  35           HB2      CYS  35   2.597  -7.079  -1.711
  251   2HB   CYS  35           HB1      CYS  35   1.196  -7.244  -0.662
  252    H    ASN  36           HN       ASN  36  -0.132  -5.644   0.356
  253    HA   ASN  36           HA       ASN  36  -2.723  -5.666  -0.848
  254   1HB   ASN  36           HB2      ASN  36  -1.756  -5.143   1.961
  255   2HB   ASN  36           HB1      ASN  36  -3.466  -5.023   1.548
  256   1HD2  ASN  36          HD22      ASN  36  -1.660  -8.698   1.625
  257   2HD2  ASN  36          HD21      ASN  36  -0.719  -7.287   1.676
  258    H    PHE  37           HN       PHE  37  -0.756  -3.026   0.501
  259    HA   PHE  37           HA       PHE  37  -2.814  -1.018   0.267
  260   1HB   PHE  37           HB2      PHE  37  -0.733  -0.750   1.615
  261   2HB   PHE  37           HB1      PHE  37   0.181  -0.565   0.252
  262    HD1  PHE  37           HD1      PHE  37  -3.015   0.831   1.500
  263    HD2  PHE  37           HD2      PHE  37   0.677   1.407  -0.538
  264    HE1  PHE  37           HE1      PHE  37  -3.599   3.221   1.154
  265    HE2  PHE  37           HE2      PHE  37   0.139   3.819  -0.875
  266    HZ   PHE  37           HZ       PHE  37  -2.013   4.723  -0.023
  267    H    CYS  38           HN       CYS  38  -0.098  -1.899  -1.707
  268    HA   CYS  38           HA       CYS  38  -0.496  -0.023  -3.816
  269   1HB   CYS  38           HB2      CYS  38   0.905  -2.690  -3.660
  270   2HB   CYS  38           HB1      CYS  38   0.795  -1.810  -5.183
  271    H    ASN  39           HN       ASN  39  -1.983  -3.142  -3.157
  272    HA   ASN  39           HA       ASN  39  -3.116  -3.470  -5.793
  273   1HB   ASN  39           HB2      ASN  39  -3.469  -4.718  -3.098
  274   2HB   ASN  39           HB1      ASN  39  -4.732  -4.962  -4.295
  275   1HD2  ASN  39          HD22      ASN  39  -1.524  -7.221  -4.573
  276   2HD2  ASN  39          HD21      ASN  39  -2.043  -6.444  -3.163
  277    H    ALA  40           HN       ALA  40  -3.918  -1.638  -2.965
  278    HA   ALA  40           HA       ALA  40  -6.689  -1.145  -3.835
  279   1HB   ALA  40           HB3      ALA  40  -6.141  -1.234  -1.411
  280   2HB   ALA  40           HB2      ALA  40  -5.056   0.141  -1.619
  281   3HB   ALA  40           HB1      ALA  40  -6.790   0.340  -1.868
  282    H    VAL  41           HN       VAL  41  -3.517   0.169  -4.175
  283    HA   VAL  41           HA       VAL  41  -4.412   2.829  -5.047
  284    HB   VAL  41           HB       VAL  41  -1.709   1.446  -5.162
  285   1HG1  VAL  41          HG11      VAL  41  -2.088   3.241  -6.900
  286   2HG1  VAL  41          HG13      VAL  41  -2.344   4.379  -5.578
  287   3HG1  VAL  41          HG12      VAL  41  -0.780   3.586  -5.768
  288   1HG2  VAL  41          HG22      VAL  41  -3.050   2.356  -2.957
  289   2HG2  VAL  41          HG21      VAL  41  -1.293   2.298  -3.091
  290   3HG2  VAL  41          HG23      VAL  41  -2.154   3.799  -3.431
  291    H    VAL  42           HN       VAL  42  -3.639  -0.274  -6.425
  292    HA   VAL  42           HA       VAL  42  -3.492   0.768  -9.174
  293    HB   VAL  42           HB       VAL  42  -3.213  -1.614  -9.790
  294   1HG1  VAL  42          HG13      VAL  42  -1.465  -0.029  -8.326
  295   2HG1  VAL  42          HG12      VAL  42  -1.433  -1.576  -7.481
  296   3HG1  VAL  42          HG11      VAL  42  -1.040  -1.502  -9.197
  297   1HG2  VAL  42          HG21      VAL  42  -4.158  -1.958  -6.995
  298   2HG2  VAL  42          HG23      VAL  42  -4.420  -2.985  -8.404
  299   3HG2  VAL  42          HG22      VAL  42  -2.885  -3.048  -7.538
  300    H    GLU  43           HN       GLU  43  -5.798  -0.800  -7.049
  301    HA   GLU  43           HA       GLU  43  -7.732  -1.125  -9.261
  302   1HB   GLU  43           HB2      GLU  43  -7.284  -2.620  -7.001
  303   2HB   GLU  43           HB1      GLU  43  -8.642  -1.625  -6.504
  304   1HG   GLU  43           HG2      GLU  43  -9.695  -2.271  -8.775
  305   2HG   GLU  43           HG1      GLU  43  -8.481  -3.551  -8.810
  306    H    SER  44           HN       SER  44  -6.854   1.167  -6.872
  307    HA   SER  44           HA       SER  44  -9.557   2.386  -6.874
  308   1HB   SER  44           HB2      SER  44  -8.304   2.179  -4.727
  309   2HB   SER  44           HB1      SER  44  -7.063   3.241  -5.383
  310    HG   SER  44           HG       SER  44  -8.918   4.150  -4.072
  311    H    ASN  45           HN       ASN  45  -7.177   2.437  -9.024
  312    HA   ASN  45           HA       ASN  45  -6.526   3.953 -10.676
  313   1HB   ASN  45           HB2      ASN  45  -8.963   5.351  -9.557
  314   2HB   ASN  45           HB1      ASN  45  -8.021   6.009 -10.887
  315   1HD2  ASN  45          HD22      ASN  45  -9.512   3.894 -13.264
  316   2HD2  ASN  45          HD21      ASN  45  -8.598   5.290 -12.949
  317    H    GLY  46           HN       GLY  46  -5.467   4.067  -7.902
  318   1HA   GLY  46           HA2      GLY  46  -3.943   5.375  -6.716
  319   2HA   GLY  46           HA1      GLY  46  -3.786   6.361  -8.163
  320    H    THR  47           HN       THR  47  -6.939   5.970  -6.804
  321    HA   THR  47           HA       THR  47  -6.909   8.825  -5.989
  322    HB   THR  47           HB       THR  47  -9.253   8.795  -6.222
  323    HG1  THR  47           HG1      THR  47 -10.451   6.948  -6.052
  324   1HG2  THR  47          HG21      THR  47  -8.001   6.873  -8.186
  325   2HG2  THR  47          HG23      THR  47  -9.678   7.398  -8.334
  326   3HG2  THR  47          HG22      THR  47  -8.373   8.581  -8.420
  327    H    LEU  48           HN       LEU  48  -6.128   6.015  -4.588
  328    HA   LEU  48           HA       LEU  48  -7.661   6.237  -2.113
  329   1HB   LEU  48           HB2      LEU  48  -7.186   4.028  -2.290
  330   2HB   LEU  48           HB1      LEU  48  -5.903   4.326  -3.448
  331    HG   LEU  48           HG       LEU  48  -4.353   4.847  -1.600
  332   1HD1  LEU  48          HD12      LEU  48  -6.463   5.519  -0.121
  333   2HD1  LEU  48          HD11      LEU  48  -6.341   3.833   0.383
  334   3HD1  LEU  48          HD13      LEU  48  -4.979   4.926   0.623
  335   1HD2  LEU  48          HD23      LEU  48  -5.168   2.424  -2.446
  336   2HD2  LEU  48          HD22      LEU  48  -3.908   2.641  -1.231
  337   3HD2  LEU  48          HD21      LEU  48  -5.562   2.284  -0.733
  338    H    THR  49           HN       THR  49  -4.196   6.283  -2.781
  339    HA   THR  49           HA       THR  49  -2.424   7.391  -1.807
  340    HB   THR  49           HB       THR  49  -2.744   9.706  -1.281
  341    HG1  THR  49           HG1      THR  49  -4.965  10.511  -1.475
  342   1HG2  THR  49          HG22      THR  49  -3.832   8.448  -3.685
  343   2HG2  THR  49          HG21      THR  49  -4.333  10.123  -3.449
  344   3HG2  THR  49          HG23      THR  49  -2.618   9.719  -3.524
  345    H    LEU  50           HN       LEU  50  -1.518   6.956   0.015
  346    HA   LEU  50           HA       LEU  50  -3.141   6.385   2.384
  347   1HB   LEU  50           HB2      LEU  50  -1.553   4.816   2.629
  348   2HB   LEU  50           HB1      LEU  50  -0.734   5.449   1.218
  349    HG   LEU  50           HG       LEU  50  -0.224   6.875   3.784
  350   1HD1  LEU  50          HD13      LEU  50   0.748   4.111   3.113
  351   2HD1  LEU  50          HD12      LEU  50   1.477   5.144   4.344
  352   3HD1  LEU  50          HD11      LEU  50  -0.189   4.590   4.527
  353   1HD2  LEU  50          HD23      LEU  50   0.955   6.510   1.156
  354   2HD2  LEU  50          HD22      LEU  50   1.332   7.723   2.379
  355   3HD2  LEU  50          HD21      LEU  50   2.120   6.146   2.430
  356    H    SER  51           HN       SER  51  -2.141   7.114   4.571
  357    HA   SER  51           HA       SER  51  -1.661  10.054   4.376
  358   1HB   SER  51           HB2      SER  51  -3.607   8.726   5.841
  359   2HB   SER  51           HB1      SER  51  -2.331   8.888   6.988
  360    HG   SER  51           HG       SER  51  -4.031  10.715   6.294
  361    H    HIS  52           HN       HIS  52  -0.532   7.000   5.610
  362    HA   HIS  52           HA       HIS  52   2.158   7.966   6.017
  363   1HB   HIS  52           HB2      HIS  52   2.215   7.753   8.466
  364   2HB   HIS  52           HB1      HIS  52   1.020   8.969   8.005
  365    HD1  HIS  52           HD1      HIS  52   1.102   6.723  10.513
  366    HD2  HIS  52           HD2      HIS  52  -1.462   6.890   7.217
  367    HE1  HIS  52           HE1      HIS  52  -0.933   5.332  11.099
  368    H    PHE  53           HN       PHE  53   3.516   6.206   6.899
  369    HA   PHE  53           HA       PHE  53   2.671   3.595   5.961
  370   1HB   PHE  53           HB2      PHE  53   5.082   4.566   7.515
  371   2HB   PHE  53           HB1      PHE  53   4.851   2.871   7.089
  372    HD1  PHE  53           HD2      PHE  53   4.883   6.292   5.561
  373    HD2  PHE  53           HD1      PHE  53   5.564   2.088   4.999
  374    HE1  PHE  53           HE2      PHE  53   5.771   6.739   3.288
  375    HE2  PHE  53           HE1      PHE  53   6.451   2.534   2.726
  376    HZ   PHE  53           HZ       PHE  53   6.554   4.861   1.871
  377    H    GLY  54           HN       GLY  54   3.428   1.784   7.854
  378   1HA   GLY  54           HA2      GLY  54   2.727   0.711   9.808
  379   2HA   GLY  54           HA1      GLY  54   2.568   2.291  10.519
  380    H    LYS  55           HN       LYS  55   0.676   0.970  11.490
  381    HA   LYS  55           HA       LYS  55  -1.687   0.797   9.750
  382   1HB   LYS  55           HB2      LYS  55  -1.937   0.550  12.711
  383   2HB   LYS  55           HB1      LYS  55  -2.659  -0.433  11.439
  384   1HG   LYS  55           HG2      LYS  55  -0.219  -1.221  10.981
  385   2HG   LYS  55           HG1      LYS  55   0.115  -0.599  12.598
  386   1HD   LYS  55           HD2      LYS  55  -2.320  -2.194  12.553
  387   2HD   LYS  55           HD1      LYS  55  -0.930  -3.117  11.980
  388   1HE   LYS  55           HE2      LYS  55  -0.984  -3.400  14.358
  389   2HE   LYS  55           HE1      LYS  55   0.325  -2.266  14.025
  390   1HZ   LYS  55           HZ2      LYS  55  -1.652  -0.559  14.286
  391   2HZ   LYS  55           HZ1      LYS  55  -2.273  -1.796  15.271
  392   3HZ   LYS  55           HZ3      LYS  55  -0.762  -1.111  15.625
  393    H    CYS  56           HN       CYS  56  -3.723   1.933  10.494
  394    HA   CYS  56           HA       CYS  56  -3.183   4.759  10.838
  395   1HB   CYS  56           HB2      CYS  56  -5.913   3.565  11.225
  396   2HB   CYS  56           HB1      CYS  56  -5.465   5.089  10.460
   
  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           HT3      LEU   1  18.129   6.259   6.081
    2   2H    LEU   1           HT2      LEU   1  19.155   5.134   5.326
    3   3H    LEU   1           HT1      LEU   1  19.310   6.792   4.986
    4    HA   LEU   1           HA       LEU   1  18.026   6.430   3.223
    5   1HB   LEU   1           HB2      LEU   1  16.712   4.301   2.998
    6   2HB   LEU   1           HB1      LEU   1  18.425   4.033   3.323
    7    HG   LEU   1           HG       LEU   1  17.261   4.249   5.858
    8   1HD1  LEU   1          HD11      LEU   1  15.366   3.160   3.870
    9   2HD1  LEU   1          HD13      LEU   1  15.609   2.142   5.289
   10   3HD1  LEU   1          HD12      LEU   1  15.058   3.806   5.482
   11   1HD2  LEU   1          HD23      LEU   1  18.973   2.586   4.559
   12   2HD2  LEU   1          HD22      LEU   1  18.295   2.225   6.146
   13   3HD2  LEU   1          HD21      LEU   1  17.565   1.534   4.697
   14    H    ALA   2           HN       ALA   2  15.705   6.645   2.636
   15    HA   ALA   2           HA       ALA   2  13.592   6.638   4.541
   16   1HB   ALA   2           HB1      ALA   2  14.986   9.304   4.168
   17   2HB   ALA   2           HB3      ALA   2  13.376   9.126   4.864
   18   3HB   ALA   2           HB2      ALA   2  14.772   8.422   5.680
   19    H    ALA   3           HN       ALA   3  11.605   7.431   3.593
   20    HA   ALA   3           HA       ALA   3  11.366   8.932   1.221
   21   1HB   ALA   3           HB3      ALA   3  12.067   6.069   0.810
   22   2HB   ALA   3           HB2      ALA   3  10.779   6.717  -0.204
   23   3HB   ALA   3           HB1      ALA   3  12.377   7.463  -0.225
   24    H    VAL   4           HN       VAL   4   9.253   9.516   1.281
   25    HA   VAL   4           HA       VAL   4   7.315   7.606   2.511
   26    HB   VAL   4           HB       VAL   4   7.362   9.684   3.716
   27   1HG1  VAL   4          HG12      VAL   4   7.224  10.927   0.961
   28   2HG1  VAL   4          HG11      VAL   4   6.878  11.840   2.429
   29   3HG1  VAL   4          HG13      VAL   4   8.477  11.139   2.183
   30   1HG2  VAL   4          HG22      VAL   4   5.081   8.696   2.516
   31   2HG2  VAL   4          HG21      VAL   4   5.106   9.935   3.771
   32   3HG2  VAL   4          HG23      VAL   4   5.031  10.402   2.071
   33    H    SER   5           HN       SER   5   7.500   6.616   0.217
   34    HA   SER   5           HA       SER   5   5.113   7.329  -1.253
   35   1HB   SER   5           HB2      SER   5   6.848   9.072  -1.998
   36   2HB   SER   5           HB1      SER   5   7.701   7.736  -2.766
   37    HG   SER   5           HG       SER   5   6.273   8.672  -4.235
   38    H    VAL   6           HN       VAL   6   4.481   5.202  -1.408
   39    HA   VAL   6           HA       VAL   6   6.469   3.134  -2.096
   40    HB   VAL   6           HB       VAL   6   3.524   3.028  -1.411
   41   1HG1  VAL   6          HG11      VAL   6   4.068   1.291  -3.084
   42   2HG1  VAL   6          HG13      VAL   6   5.409   0.746  -2.077
   43   3HG1  VAL   6          HG12      VAL   6   3.750   0.575  -1.505
   44   1HG2  VAL   6          HG22      VAL   6   5.717   3.267   0.210
   45   2HG2  VAL   6          HG21      VAL   6   4.212   2.485   0.697
   46   3HG2  VAL   6          HG23      VAL   6   5.562   1.514   0.108
   47    H    ASP   7           HN       ASP   7   6.439   1.950  -4.046
   48    HA   ASP   7           HA       ASP   7   5.305   3.356  -6.332
   49   1HB   ASP   7           HB2      ASP   7   6.671   2.025  -7.629
   50   2HB   ASP   7           HB1      ASP   7   7.518   1.872  -6.094
   51    H    CYS   8           HN       CYS   8   4.077   1.904  -8.029
   52    HA   CYS   8           HA       CYS   8   2.390  -0.169  -6.867
   53   1HB   CYS   8           HB2      CYS   8   1.463   2.106  -6.110
   54   2HB   CYS   8           HB1      CYS   8   1.000   2.348  -7.790
   55    H    SER   9           HN       SER   9   4.179   0.363  -9.228
   56    HA   SER   9           HA       SER   9   2.287   0.225 -11.495
   57   1HB   SER   9           HB2      SER   9   4.590   1.459 -11.452
   58   2HB   SER   9           HB1      SER   9   5.263  -0.146 -11.728
   59    HG   SER   9           HG       SER   9   3.776  -0.281 -13.531
   60    H    GLU  10           HN       GLU  10   3.421  -1.957  -9.285
   61    HA   GLU  10           HA       GLU  10   3.384  -4.167 -11.303
   62   1HB   GLU  10           HB2      GLU  10   4.920  -3.883  -8.718
   63   2HB   GLU  10           HB1      GLU  10   4.695  -5.442  -9.510
   64   1HG   GLU  10           HG2      GLU  10   6.670  -4.809 -10.519
   65   2HG   GLU  10           HG1      GLU  10   5.533  -4.054 -11.636
   66    H    TYR  11           HN       TYR  11   0.992  -3.101 -10.083
   67    HA   TYR  11           HA       TYR  11   0.123  -5.522  -8.678
   68   1HB   TYR  11           HB2      TYR  11  -0.318  -2.685  -7.730
   69   2HB   TYR  11           HB1      TYR  11  -1.152  -4.091  -7.062
   70    HD1  TYR  11           HD2      TYR  11   2.111  -2.371  -7.379
   71    HD2  TYR  11           HD1      TYR  11   0.039  -5.764  -5.736
   72    HE1  TYR  11           HE2      TYR  11   4.073  -2.883  -5.955
   73    HE2  TYR  11           HE1      TYR  11   2.006  -6.263  -4.304
   74    HH   TYR  11           HH       TYR  11   4.917  -4.207  -4.399
   75    HA   PRO  12           HA       PRO  12  -1.963  -5.744  -7.588
   76   1HB   PRO  12           HB2      PRO  12  -3.574  -7.860  -8.319
   77   2HB   PRO  12           HB1      PRO  12  -4.210  -6.307  -7.753
   78   1HG   PRO  12           HG2      PRO  12  -4.040  -7.360 -10.557
   79   2HG   PRO  12           HG1      PRO  12  -5.262  -6.300  -9.829
   80   1HD   PRO  12           HD2      PRO  12  -3.183  -5.392 -11.448
   81   2HD   PRO  12           HD1      PRO  12  -4.072  -4.416 -10.329
   82    H    LYS  13           HN       LYS  13  -0.809  -7.587  -6.920
   83    HA   LYS  13           HA       LYS  13   0.666  -9.031  -9.081
   84   1HB   LYS  13           HB2      LYS  13   1.566  -7.626  -6.807
   85   2HB   LYS  13           HB1      LYS  13   1.783  -9.333  -6.430
   86   1HG   LYS  13           HG2      LYS  13   2.665  -9.213  -9.032
   87   2HG   LYS  13           HG1      LYS  13   3.185  -7.652  -8.398
   88   1HD   LYS  13           HD2      LYS  13   4.293  -8.774  -6.507
   89   2HD   LYS  13           HD1      LYS  13   3.766 -10.340  -7.123
   90   1HE   LYS  13           HE2      LYS  13   5.235 -10.283  -8.922
   91   2HE   LYS  13           HE1      LYS  13   5.296  -8.522  -8.948
   92   1HZ   LYS  13           HZ2      LYS  13   6.419  -8.758  -6.689
   93   2HZ   LYS  13           HZ1      LYS  13   6.661 -10.386  -7.111
   94   3HZ   LYS  13           HZ3      LYS  13   7.333  -9.155  -8.065
   95    HA   PRO  14           HA       PRO  14  -1.323 -12.707  -7.671
   96   1HB   PRO  14           HB2      PRO  14   0.433 -14.529  -8.747
   97   2HB   PRO  14           HB1      PRO  14  -0.767 -13.635  -9.698
   98   1HG   PRO  14           HG2      PRO  14   2.181 -13.220  -9.525
   99   2HG   PRO  14           HG1      PRO  14   1.071 -12.843 -10.852
  100   1HD   PRO  14           HD2      PRO  14   2.137 -10.985  -9.045
  101   2HD   PRO  14           HD1      PRO  14   0.760 -10.705 -10.088
  102    H    ALA  15           HN       ALA  15   1.172 -11.435  -6.160
  103    HA   ALA  15           HA       ALA  15   1.195 -13.378  -4.020
  104   1HB   ALA  15           HB3      ALA  15   3.729 -13.033  -5.652
  105   2HB   ALA  15           HB2      ALA  15   3.623 -13.882  -4.110
  106   3HB   ALA  15           HB1      ALA  15   2.774 -14.509  -5.523
  107    H    CYS  16           HN       CYS  16   1.107 -11.979  -2.334
  108    HA   CYS  16           HA       CYS  16   2.365  -9.319  -2.562
  109   1HB   CYS  16           HB2      CYS  16   0.643 -10.587  -0.408
  110   2HB   CYS  16           HB1      CYS  16   1.285  -8.951  -0.316
  111    H    THR  17           HN       THR  17   3.995  -8.565  -1.101
  112    HA   THR  17           HA       THR  17   6.095 -10.297  -0.466
  113    HB   THR  17           HB       THR  17   6.406  -8.487   1.514
  114    HG1  THR  17           HG1      THR  17   5.132  -6.823   1.292
  115   1HG2  THR  17          HG23      THR  17   7.098  -8.686  -1.295
  116   2HG2  THR  17          HG22      THR  17   6.954  -6.999  -0.801
  117   3HG2  THR  17          HG21      THR  17   8.064  -8.075   0.048
  118    H    LEU  18           HN       LEU  18   6.791 -10.802   1.942
  119    HA   LEU  18           HA       LEU  18   4.355 -11.872   3.299
  120   1HB   LEU  18           HB2      LEU  18   5.922 -13.606   4.257
  121   2HB   LEU  18           HB1      LEU  18   5.729 -13.696   2.506
  122    HG   LEU  18           HG       LEU  18   7.869 -11.870   3.228
  123   1HD1  LEU  18          HD12      LEU  18   7.729 -14.496   4.595
  124   2HD1  LEU  18          HD11      LEU  18   9.264 -14.131   3.808
  125   3HD1  LEU  18          HD13      LEU  18   8.622 -13.043   5.039
  126   1HD2  LEU  18          HD22      LEU  18   7.194 -13.394   1.095
  127   2HD2  LEU  18          HD21      LEU  18   8.837 -12.817   1.377
  128   3HD2  LEU  18          HD23      LEU  18   8.383 -14.455   1.852
  129    H    GLU  19           HN       GLU  19   7.228  -9.933   3.699
  130    HA   GLU  19           HA       GLU  19   7.460 -10.022   6.524
  131   1HB   GLU  19           HB2      GLU  19   8.612  -7.889   6.331
  132   2HB   GLU  19           HB1      GLU  19   9.099  -8.913   4.980
  133   1HG   GLU  19           HG2      GLU  19   6.707  -7.292   4.428
  134   2HG   GLU  19           HG1      GLU  19   8.157  -6.340   4.741
  135    H    TYR  20           HN       TYR  20   6.990  -7.521   7.496
  136    HA   TYR  20           HA       TYR  20   4.067  -7.140   7.018
  137   1HB   TYR  20           HB2      TYR  20   4.473  -8.361   9.138
  138   2HB   TYR  20           HB1      TYR  20   5.398  -6.981   9.730
  139    HD1  TYR  20           HD2      TYR  20   2.238  -7.233   7.727
  140    HD2  TYR  20           HD1      TYR  20   4.112  -5.853  11.338
  141    HE1  TYR  20           HE2      TYR  20   0.127  -6.111   8.388
  142    HE2  TYR  20           HE1      TYR  20   2.003  -4.729  12.002
  143    HH   TYR  20           HH       TYR  20  -0.849  -5.393  10.931
  144    H    ARG  21           HN       ARG  21   3.480  -5.161   6.623
  145    HA   ARG  21           HA       ARG  21   4.770  -2.817   7.780
  146   1HB   ARG  21           HB2      ARG  21   5.224  -3.596   4.905
  147   2HB   ARG  21           HB1      ARG  21   5.141  -1.891   5.350
  148   1HG   ARG  21           HG2      ARG  21   6.793  -3.032   7.294
  149   2HG   ARG  21           HG1      ARG  21   7.294  -3.800   5.787
  150   1HD   ARG  21           HD2      ARG  21   8.001  -1.816   4.845
  151   2HD   ARG  21           HD1      ARG  21   6.830  -0.851   5.745
  152    HE   ARG  21           HE       ARG  21   9.521  -1.323   6.563
  153   1HH1  ARG  21          HH11      ARG  21   6.715   0.103   7.560
  154   2HH1  ARG  21          HH12      ARG  21   6.961  -0.129   9.259
  155   1HH2  ARG  21          HH21      ARG  21   9.669  -2.255   8.845
  156   2HH2  ARG  21          HH22      ARG  21   8.634  -1.464   9.986
  157    HA   PRO  22           HA       PRO  22   0.291  -2.634   6.803
  158   1HB   PRO  22           HB2      PRO  22  -0.311  -1.242   9.110
  159   2HB   PRO  22           HB1      PRO  22  -0.303  -3.020   8.982
  160   1HG   PRO  22           HG2      PRO  22   1.752  -1.199  10.191
  161   2HG   PRO  22           HG1      PRO  22   1.305  -2.851  10.656
  162   1HD   PRO  22           HD2      PRO  22   3.584  -2.220   9.197
  163   2HD   PRO  22           HD1      PRO  22   2.786  -3.809   9.155
  164    H    LEU  23           HN       LEU  23   0.062  -1.062   5.218
  165    HA   LEU  23           HA       LEU  23   0.914   1.700   5.953
  166   1HB   LEU  23           HB2      LEU  23   0.149   0.752   3.190
  167   2HB   LEU  23           HB1      LEU  23   1.158   2.131   3.639
  168    HG   LEU  23           HG       LEU  23   2.291  -0.238   4.789
  169   1HD1  LEU  23          HD13      LEU  23   1.035  -1.385   2.959
  170   2HD1  LEU  23          HD12      LEU  23   1.893  -0.379   1.793
  171   3HD1  LEU  23          HD11      LEU  23   2.785  -1.524   2.795
  172   1HD2  LEU  23          HD22      LEU  23   3.021   2.086   3.244
  173   2HD2  LEU  23          HD21      LEU  23   4.017   1.111   4.325
  174   3HD2  LEU  23          HD23      LEU  23   3.851   0.656   2.630
  175    H    CYS  24           HN       CYS  24  -0.649   3.292   6.080
  176    HA   CYS  24           HA       CYS  24  -3.446   2.324   5.775
  177   1HB   CYS  24           HB2      CYS  24  -2.662   3.429   7.941
  178   2HB   CYS  24           HB1      CYS  24  -2.622   4.936   7.053
  179    H    GLY  25           HN       GLY  25  -5.022   3.762   4.751
  180   1HA   GLY  25           HA2      GLY  25  -3.820   5.277   2.483
  181   2HA   GLY  25           HA1      GLY  25  -5.238   4.378   2.393
  182    H    SER  26           HN       SER  26  -5.455   6.873   1.497
  183    HA   SER  26           HA       SER  26  -6.203   8.771   3.561
  184   1HB   SER  26           HB2      SER  26  -5.553   9.362   1.178
  185   2HB   SER  26           HB1      SER  26  -7.126   8.749   0.673
  186    HG   SER  26           HG       SER  26  -6.873  10.656   2.740
  187    H    ASP  27           HN       ASP  27  -7.681   5.997   2.263
  188    HA   ASP  27           HA       ASP  27 -10.446   6.866   2.695
  189   1HB   ASP  27           HB2      ASP  27 -11.060   4.673   1.976
  190   2HB   ASP  27           HB1      ASP  27  -9.671   5.118   0.988
  191    H    ASN  28           HN       ASN  28  -7.907   5.864   4.668
  192    HA   ASN  28           HA       ASN  28  -7.927   5.622   7.022
  193   1HB   ASN  28           HB2      ASN  28 -10.323   6.721   6.732
  194   2HB   ASN  28           HB1      ASN  28 -10.872   5.078   7.061
  195   1HD2  ASN  28          HD22      ASN  28  -9.990   7.256  10.198
  196   2HD2  ASN  28          HD21      ASN  28 -10.580   7.814   8.707
  197    H    LYS  29           HN       LYS  29  -7.614   3.500   5.051
  198    HA   LYS  29           HA       LYS  29  -8.591   1.200   6.682
  199   1HB   LYS  29           HB2      LYS  29  -9.744   1.140   4.577
  200   2HB   LYS  29           HB1      LYS  29  -8.259   1.462   3.683
  201   1HG   LYS  29           HG2      LYS  29  -7.638  -0.697   3.728
  202   2HG   LYS  29           HG1      LYS  29  -8.030  -0.856   5.439
  203   1HD   LYS  29           HD2      LYS  29 -10.330  -1.289   4.979
  204   2HD   LYS  29           HD1      LYS  29 -10.164  -0.771   3.301
  205   1HE   LYS  29           HE2      LYS  29  -9.754  -2.912   2.744
  206   2HE   LYS  29           HE1      LYS  29  -8.252  -2.811   3.664
  207   1HZ   LYS  29           HZ2      LYS  29  -9.724  -3.266   5.675
  208   2HZ   LYS  29           HZ1      LYS  29 -10.896  -3.774   4.555
  209   3HZ   LYS  29           HZ3      LYS  29  -9.399  -4.567   4.631
  210    H    THR  30           HN       THR  30  -7.053  -0.481   7.027
  211    HA   THR  30           HA       THR  30  -4.244   0.373   6.626
  212    HB   THR  30           HB       THR  30  -5.354  -1.993   8.170
  213    HG1  THR  30           HG1      THR  30  -4.654   0.645   8.894
  214   1HG2  THR  30          HG21      THR  30  -2.607  -0.833   7.783
  215   2HG2  THR  30          HG23      THR  30  -3.010  -1.631   9.303
  216   3HG2  THR  30          HG22      THR  30  -3.108  -2.524   7.785
  217    H    TYR  31           HN       TYR  31  -2.672  -1.262   5.886
  218    HA   TYR  31           HA       TYR  31  -3.789  -3.388   4.151
  219   1HB   TYR  31           HB2      TYR  31  -1.797  -1.264   3.230
  220   2HB   TYR  31           HB1      TYR  31  -2.175  -2.730   2.374
  221    HD1  TYR  31           HD2      TYR  31  -4.608  -3.207   1.723
  222    HD2  TYR  31           HD1      TYR  31  -3.207   0.631   3.044
  223    HE1  TYR  31           HE2      TYR  31  -6.613  -2.134   0.731
  224    HE2  TYR  31           HE1      TYR  31  -5.211   1.704   2.055
  225    HH   TYR  31           HH       TYR  31  -6.993   1.396   0.729
  226    H    GLY  32           HN       GLY  32  -2.943  -5.126   5.132
  227   1HA   GLY  32           HA2      GLY  32  -1.070  -5.532   6.939
  228   2HA   GLY  32           HA1      GLY  32  -1.146  -6.653   5.604
  229    H    ASN  33           HN       ASN  33   0.014  -5.430   3.510
  230    HA   ASN  33           HA       ASN  33   2.499  -4.164   4.516
  231   1HB   ASN  33           HB2      ASN  33   3.927  -5.661   3.193
  232   2HB   ASN  33           HB1      ASN  33   3.030  -6.549   4.417
  233   1HD2  ASN  33          HD22      ASN  33   2.582  -8.596   1.435
  234   2HD2  ASN  33          HD21      ASN  33   3.759  -8.267   2.608
  235    H    LYS  34           HN       LYS  34   3.944  -4.020   2.259
  236    HA   LYS  34           HA       LYS  34   2.817  -1.840   0.905
  237   1HB   LYS  34           HB2      LYS  34   4.539  -2.592  -0.957
  238   2HB   LYS  34           HB1      LYS  34   5.106  -1.981   0.593
  239   1HG   LYS  34           HG2      LYS  34   5.700  -4.095   1.371
  240   2HG   LYS  34           HG1      LYS  34   4.587  -4.928   0.285
  241   1HD   LYS  34           HD2      LYS  34   7.026  -3.402  -0.669
  242   2HD   LYS  34           HD1      LYS  34   7.024  -5.138  -0.355
  243   1HE   LYS  34           HE2      LYS  34   5.193  -5.423  -1.998
  244   2HE   LYS  34           HE1      LYS  34   5.235  -3.691  -2.331
  245   1HZ   LYS  34           HZ2      LYS  34   7.549  -5.521  -2.668
  246   2HZ   LYS  34           HZ1      LYS  34   6.525  -5.030  -3.930
  247   3HZ   LYS  34           HZ3      LYS  34   7.472  -3.884  -3.116
  248    H    CYS  35           HN       CYS  35   2.867  -5.260  -0.181
  249    HA   CYS  35           HA       CYS  35   1.623  -4.895  -2.678
  250   1HB   CYS  35           HB2      CYS  35   2.476  -7.070  -1.905
  251   2HB   CYS  35           HB1      CYS  35   1.200  -7.148  -0.697
  252    H    ASN  36           HN       ASN  36   0.069  -5.575   0.447
  253    HA   ASN  36           HA       ASN  36  -2.605  -5.347  -0.487
  254   1HB   ASN  36           HB2      ASN  36  -1.305  -5.103   2.209
  255   2HB   ASN  36           HB1      ASN  36  -3.021  -4.733   2.023
  256   1HD2  ASN  36          HD22      ASN  36  -1.735  -8.602   1.716
  257   2HD2  ASN  36          HD21      ASN  36  -0.614  -7.330   1.775
  258    H    PHE  37           HN       PHE  37  -0.292  -2.848   0.478
  259    HA   PHE  37           HA       PHE  37  -2.306  -0.777   0.738
  260   1HB   PHE  37           HB2      PHE  37  -0.167  -0.455   1.792
  261   2HB   PHE  37           HB1      PHE  37   0.681  -0.530   0.383
  262    HD1  PHE  37           HD1      PHE  37  -2.518   1.100   1.053
  263    HD2  PHE  37           HD2      PHE  37   1.573   1.576  -0.026
  264    HE1  PHE  37           HE1      PHE  37  -2.952   3.501   0.564
  265    HE2  PHE  37           HE2      PHE  37   1.180   3.989  -0.512
  266    HZ   PHE  37           HZ       PHE  37  -1.098   4.952  -0.225
  267    H    CYS  38           HN       CYS  38   0.225  -1.162  -1.667
  268    HA   CYS  38           HA       CYS  38  -0.741   0.732  -3.506
  269   1HB   CYS  38           HB2      CYS  38   1.378   0.058  -4.111
  270   2HB   CYS  38           HB1      CYS  38   1.075  -1.630  -3.714
  271    H    ASN  39           HN       ASN  39  -1.418  -2.804  -3.451
  272    HA   ASN  39           HA       ASN  39  -2.990  -3.060  -5.699
  273   1HB   ASN  39           HB2      ASN  39  -2.887  -4.328  -3.065
  274   2HB   ASN  39           HB1      ASN  39  -4.507  -4.347  -3.739
  275   1HD2  ASN  39          HD22      ASN  39  -1.677  -6.705  -5.331
  276   2HD2  ASN  39          HD21      ASN  39  -1.338  -5.703  -4.013
  277    H    ALA  40           HN       ALA  40  -3.719  -1.330  -2.759
  278    HA   ALA  40           HA       ALA  40  -6.501  -0.779  -3.395
  279   1HB   ALA  40           HB3      ALA  40  -5.484  -0.664  -1.071
  280   2HB   ALA  40           HB2      ALA  40  -4.626   0.788  -1.588
  281   3HB   ALA  40           HB1      ALA  40  -6.389   0.779  -1.533
  282    H    VAL  41           HN       VAL  41  -3.443   1.023  -3.562
  283    HA   VAL  41           HA       VAL  41  -4.366   3.406  -4.764
  284    HB   VAL  41           HB       VAL  41  -1.754   1.915  -5.154
  285   1HG1  VAL  41          HG11      VAL  41  -2.694   4.631  -6.050
  286   2HG1  VAL  41          HG13      VAL  41  -0.988   4.350  -5.697
  287   3HG1  VAL  41          HG12      VAL  41  -1.793   3.414  -6.957
  288   1HG2  VAL  41          HG21      VAL  41  -2.739   4.006  -3.222
  289   2HG2  VAL  41          HG23      VAL  41  -1.935   2.476  -2.874
  290   3HG2  VAL  41          HG22      VAL  41  -1.017   3.817  -3.560
  291    H    VAL  42           HN       VAL  42  -2.867   0.629  -6.485
  292    HA   VAL  42           HA       VAL  42  -3.453   1.564  -9.064
  293    HB   VAL  42           HB       VAL  42  -1.797  -0.130  -8.809
  294   1HG1  VAL  42          HG12      VAL  42  -3.827  -1.389  -7.090
  295   2HG1  VAL  42          HG11      VAL  42  -2.922  -2.510  -8.108
  296   3HG1  VAL  42          HG13      VAL  42  -2.067  -1.445  -6.993
  297   1HG2  VAL  42          HG23      VAL  42  -3.504  -0.263 -10.757
  298   2HG2  VAL  42          HG22      VAL  42  -2.415  -1.624 -10.491
  299   3HG2  VAL  42          HG21      VAL  42  -4.086  -1.707  -9.930
  300    H    GLU  43           HN       GLU  43  -5.538  -0.042  -6.745
  301    HA   GLU  43           HA       GLU  43  -7.530  -0.664  -8.843
  302   1HB   GLU  43           HB2      GLU  43  -6.990  -1.905  -6.485
  303   2HB   GLU  43           HB1      GLU  43  -8.292  -0.839  -5.979
  304   1HG   GLU  43           HG2      GLU  43  -8.648  -2.327  -8.534
  305   2HG   GLU  43           HG1      GLU  43  -8.783  -3.241  -7.030
  306    H    SER  44           HN       SER  44  -6.599   1.856  -6.783
  307    HA   SER  44           HA       SER  44  -9.254   3.183  -6.957
  308   1HB   SER  44           HB2      SER  44  -7.489   2.937  -4.832
  309   2HB   SER  44           HB1      SER  44  -7.150   4.554  -5.438
  310    HG   SER  44           HG       SER  44  -8.966   4.151  -3.839
  311    H    ASN  45           HN       ASN  45  -6.435   2.984  -8.660
  312    HA   ASN  45           HA       ASN  45  -5.406   4.312 -10.244
  313   1HB   ASN  45           HB2      ASN  45  -6.747   5.640 -11.558
  314   2HB   ASN  45           HB1      ASN  45  -7.968   4.632 -10.817
  315   1HD2  ASN  45          HD22      ASN  45  -9.605   7.344  -9.315
  316   2HD2  ASN  45          HD21      ASN  45  -9.626   5.700  -9.731
  317    H    GLY  46           HN       GLY  46  -5.233   4.871  -7.302
  318   1HA   GLY  46           HA2      GLY  46  -3.692   6.303  -6.196
  319   2HA   GLY  46           HA1      GLY  46  -3.731   7.388  -7.571
  320    H    THR  47           HN       THR  47  -6.808   6.396  -6.392
  321    HA   THR  47           HA       THR  47  -7.308   9.130  -5.392
  322    HB   THR  47           HB       THR  47  -9.647   8.355  -5.143
  323    HG1  THR  47           HG1      THR  47  -9.881   6.306  -4.851
  324   1HG2  THR  47          HG23      THR  47  -8.277   7.665  -7.747
  325   2HG2  THR  47          HG22      THR  47 -10.028   7.765  -7.559
  326   3HG2  THR  47          HG21      THR  47  -9.032   9.199  -7.309
  327    H    LEU  48           HN       LEU  48  -6.267   6.147  -4.195
  328    HA   LEU  48           HA       LEU  48  -7.408   6.354  -1.526
  329   1HB   LEU  48           HB2      LEU  48  -6.773   4.176  -1.515
  330   2HB   LEU  48           HB1      LEU  48  -5.994   4.403  -3.070
  331    HG   LEU  48           HG       LEU  48  -3.940   5.206  -1.860
  332   1HD1  LEU  48          HD11      LEU  48  -5.641   5.466   0.295
  333   2HD1  LEU  48          HD13      LEU  48  -4.762   3.986   0.673
  334   3HD1  LEU  48          HD12      LEU  48  -3.879   5.484   0.386
  335   1HD2  LEU  48          HD22      LEU  48  -4.592   2.714  -2.472
  336   2HD2  LEU  48          HD21      LEU  48  -3.127   3.078  -1.564
  337   3HD2  LEU  48          HD23      LEU  48  -4.570   2.527  -0.719
  338    H    THR  49           HN       THR  49  -4.196   6.756  -2.870
  339    HA   THR  49           HA       THR  49  -2.304   7.843  -2.168
  340    HB   THR  49           HB       THR  49  -2.705   9.991  -0.948
  341    HG1  THR  49           HG1      THR  49  -4.724  10.606  -0.517
  342   1HG2  THR  49          HG21      THR  49  -3.613   9.213  -3.623
  343   2HG2  THR  49          HG23      THR  49  -4.274  10.744  -3.050
  344   3HG2  THR  49          HG22      THR  49  -2.527  10.515  -3.137
  345    H    LEU  50           HN       LEU  50  -0.950   7.188  -0.708
  346    HA   LEU  50           HA       LEU  50  -1.630   5.756   1.611
  347   1HB   LEU  50           HB2      LEU  50   0.557   5.565   0.580
  348   2HB   LEU  50           HB1      LEU  50   0.869   7.278   0.796
  349    HG   LEU  50           HG       LEU  50   0.714   6.876   3.305
  350   1HD1  LEU  50          HD13      LEU  50  -0.306   4.439   2.565
  351   2HD1  LEU  50          HD12      LEU  50   1.381   4.030   2.872
  352   3HD1  LEU  50          HD11      LEU  50   0.409   4.776   4.142
  353   1HD2  LEU  50          HD22      LEU  50   2.818   5.504   1.613
  354   2HD2  LEU  50          HD21      LEU  50   2.840   7.174   2.184
  355   3HD2  LEU  50          HD23      LEU  50   3.005   5.846   3.334
  356    H    SER  51           HN       SER  51  -1.245   6.448   3.859
  357    HA   SER  51           HA       SER  51  -1.847   9.353   4.285
  358   1HB   SER  51           HB2      SER  51  -2.768   8.399   6.518
  359   2HB   SER  51           HB1      SER  51  -3.709   8.125   5.071
  360    HG   SER  51           HG       SER  51  -3.552   6.141   5.841
  361    H    HIS  52           HN       HIS  52  -0.251   6.494   5.464
  362    HA   HIS  52           HA       HIS  52   2.183   7.803   6.237
  363   1HB   HIS  52           HB2      HIS  52   1.972   7.644   8.678
  364   2HB   HIS  52           HB1      HIS  52   0.692   8.681   8.049
  365    HD1  HIS  52           HD1      HIS  52   0.440   6.905  10.724
  366    HD2  HIS  52           HD2      HIS  52  -1.061   5.913   6.971
  367    HE1  HIS  52           HE1      HIS  52  -1.394   5.188  11.093
  368    H    PHE  53           HN       PHE  53   3.653   6.238   7.243
  369    HA   PHE  53           HA       PHE  53   3.062   3.509   6.381
  370   1HB   PHE  53           HB2      PHE  53   5.444   4.781   7.737
  371   2HB   PHE  53           HB1      PHE  53   5.356   3.054   7.385
  372    HD1  PHE  53           HD2      PHE  53   5.291   6.433   5.883
  373    HD2  PHE  53           HD1      PHE  53   5.602   2.213   5.146
  374    HE1  PHE  53           HE2      PHE  53   5.924   6.893   3.541
  375    HE2  PHE  53           HE1      PHE  53   6.242   2.673   2.792
  376    HZ   PHE  53           HZ       PHE  53   6.404   5.016   1.988
  377    H    GLY  54           HN       GLY  54   2.404   1.873   7.638
  378   1HA   GLY  54           HA2      GLY  54   2.456   0.719   9.848
  379   2HA   GLY  54           HA1      GLY  54   2.263   2.274  10.589
  380    H    LYS  55           HN       LYS  55   0.387   0.955  11.590
  381    HA   LYS  55           HA       LYS  55  -1.978   0.821   9.822
  382   1HB   LYS  55           HB2      LYS  55  -2.939   0.225  12.319
  383   2HB   LYS  55           HB1      LYS  55  -2.313  -0.968  11.187
  384   1HG   LYS  55           HG2      LYS  55  -0.182  -1.007  12.249
  385   2HG   LYS  55           HG1      LYS  55  -0.524   0.468  13.154
  386   1HD   LYS  55           HD2      LYS  55  -0.888  -1.181  14.772
  387   2HD   LYS  55           HD1      LYS  55  -2.515  -0.922  14.143
  388   1HE   LYS  55           HE2      LYS  55  -1.983  -3.335  14.297
  389   2HE   LYS  55           HE1      LYS  55  -2.249  -2.839  12.625
  390   1HZ   LYS  55           HZ2      LYS  55   0.468  -2.781  13.747
  391   2HZ   LYS  55           HZ1      LYS  55  -0.190  -4.260  13.231
  392   3HZ   LYS  55           HZ3      LYS  55  -0.026  -2.976  12.133
  393    H    CYS  56           HN       CYS  56  -3.593   2.334   9.844
  394    HA   CYS  56           HA       CYS  56  -3.240   4.934  10.751
  395   1HB   CYS  56           HB2      CYS  56  -5.566   3.294   9.973
  396   2HB   CYS  56           HB1      CYS  56  -5.957   4.667  11.009
   
  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           HT3      LEU   1  13.695   7.822  -2.391
    2   2H    LEU   1           HT2      LEU   1  15.250   7.137  -2.354
    3   3H    LEU   1           HT1      LEU   1  13.895   6.159  -2.659
    4    HA   LEU   1           HA       LEU   1  13.327   5.993  -0.503
    5   1HB   LEU   1           HB2      LEU   1  16.219   6.406  -0.810
    6   2HB   LEU   1           HB1      LEU   1  15.642   6.700   0.830
    7    HG   LEU   1           HG       LEU   1  16.292   4.307   0.393
    8   1HD1  LEU   1          HD11      LEU   1  14.142   5.342   1.804
    9   2HD1  LEU   1          HD13      LEU   1  13.412   4.043   0.860
   10   3HD1  LEU   1          HD12      LEU   1  14.760   3.696   1.943
   11   1HD2  LEU   1          HD21      LEU   1  13.883   4.462  -1.447
   12   2HD2  LEU   1          HD23      LEU   1  15.550   4.155  -1.934
   13   3HD2  LEU   1          HD22      LEU   1  14.681   2.965  -0.965
   14    H    ALA   2           HN       ALA   2  14.065   7.245   1.835
   15    HA   ALA   2           HA       ALA   2  13.267   9.045   3.135
   16   1HB   ALA   2           HB2      ALA   2  15.464   9.798   1.656
   17   2HB   ALA   2           HB1      ALA   2  14.295  11.052   1.238
   18   3HB   ALA   2           HB3      ALA   2  14.728  10.776   2.925
   19    H    ALA   3           HN       ALA   3  11.006   8.546   2.444
   20    HA   ALA   3           HA       ALA   3   9.696  10.917   1.430
   21   1HB   ALA   3           HB3      ALA   3  10.605   9.657  -0.655
   22   2HB   ALA   3           HB2      ALA   3   9.327   8.489  -0.318
   23   3HB   ALA   3           HB1      ALA   3   8.917  10.168  -0.666
   24    H    VAL   4           HN       VAL   4   7.227  10.193   0.939
   25    HA   VAL   4           HA       VAL   4   6.478   8.129   2.966
   26    HB   VAL   4           HB       VAL   4   4.497   9.677   3.486
   27   1HG1  VAL   4          HG11      VAL   4   6.584   9.306   4.906
   28   2HG1  VAL   4          HG13      VAL   4   7.217  10.796   4.205
   29   3HG1  VAL   4          HG12      VAL   4   5.742  10.833   5.174
   30   1HG2  VAL   4          HG23      VAL   4   5.103  11.100   1.392
   31   2HG2  VAL   4          HG22      VAL   4   4.618  11.950   2.860
   32   3HG2  VAL   4          HG21      VAL   4   6.324  11.834   2.430
   33    H    SER   5           HN       SER   5   6.047   6.663   1.230
   34    HA   SER   5           HA       SER   5   3.449   6.433   0.300
   35   1HB   SER   5           HB2      SER   5   4.835   8.541  -1.101
   36   2HB   SER   5           HB1      SER   5   4.447   7.240  -2.224
   37    HG   SER   5           HG       SER   5   2.376   7.615  -1.952
   38    H    VAL   6           HN       VAL   6   3.225   4.651  -1.214
   39    HA   VAL   6           HA       VAL   6   5.770   3.138  -1.520
   40    HB   VAL   6           HB       VAL   6   2.896   2.176  -1.505
   41   1HG1  VAL   6          HG12      VAL   6   4.790   0.982  -2.944
   42   2HG1  VAL   6          HG11      VAL   6   5.264   0.350  -1.368
   43   3HG1  VAL   6          HG13      VAL   6   3.644   0.039  -1.992
   44   1HG2  VAL   6          HG23      VAL   6   5.162   2.147   0.485
   45   2HG2  VAL   6          HG22      VAL   6   3.489   2.648   0.729
   46   3HG2  VAL   6          HG21      VAL   6   3.880   0.937   0.562
   47    H    ASP   7           HN       ASP   7   6.373   2.355  -3.564
   48    HA   ASP   7           HA       ASP   7   5.339   3.774  -5.859
   49   1HB   ASP   7           HB2      ASP   7   7.694   2.604  -5.399
   50   2HB   ASP   7           HB1      ASP   7   6.900   1.246  -6.198
   51    H    CYS   8           HN       CYS   8   4.062   2.927  -7.586
   52    HA   CYS   8           HA       CYS   8   2.762   0.305  -7.021
   53   1HB   CYS   8           HB2      CYS   8   1.510   2.963  -7.483
   54   2HB   CYS   8           HB1      CYS   8   0.700   1.541  -8.129
   55    H    SER   9           HN       SER   9   4.927   1.079  -8.910
   56    HA   SER   9           HA       SER   9   3.629   1.012 -11.553
   57   1HB   SER   9           HB2      SER   9   6.360   1.467 -10.514
   58   2HB   SER   9           HB1      SER   9   6.278   0.640 -12.067
   59    HG   SER   9           HG       SER   9   5.987   3.209 -11.585
   60    H    GLU  10           HN       GLU  10   4.705  -1.230  -9.230
   61    HA   GLU  10           HA       GLU  10   5.007  -3.376 -11.283
   62   1HB   GLU  10           HB2      GLU  10   5.988  -4.705  -9.455
   63   2HB   GLU  10           HB1      GLU  10   6.825  -3.161  -9.615
   64   1HG   GLU  10           HG2      GLU  10   4.519  -3.002  -7.823
   65   2HG   GLU  10           HG1      GLU  10   5.729  -4.161  -7.271
   66    H    TYR  11           HN       TYR  11   2.668  -2.017  -9.376
   67    HA   TYR  11           HA       TYR  11   1.325  -4.533  -8.660
   68   1HB   TYR  11           HB2      TYR  11   0.906  -1.610  -8.055
   69   2HB   TYR  11           HB1      TYR  11  -0.345  -2.788  -7.678
   70    HD1  TYR  11           HD1      TYR  11   0.205  -4.740  -6.146
   71    HD2  TYR  11           HD2      TYR  11   2.904  -1.467  -6.783
   72    HE1  TYR  11           HE1      TYR  11   1.500  -5.409  -4.134
   73    HE2  TYR  11           HE2      TYR  11   4.188  -2.124  -4.770
   74    HH   TYR  11           HH       TYR  11   3.723  -3.406  -2.635
   75    HA   PRO  12           HA       PRO  12  -0.874  -4.458  -7.965
   76   1HB   PRO  12           HB2      PRO  12  -2.916  -6.198  -8.579
   77   2HB   PRO  12           HB1      PRO  12  -3.155  -4.465  -8.317
   78   1HG   PRO  12           HG2      PRO  12  -3.274  -5.988 -10.848
   79   2HG   PRO  12           HG1      PRO  12  -3.914  -4.377 -10.485
   80   1HD   PRO  12           HD2      PRO  12  -1.483  -5.035 -11.856
   81   2HD   PRO  12           HD1      PRO  12  -2.102  -3.435 -11.566
   82    H    LYS  13           HN       LYS  13  -0.521  -6.524  -6.898
   83    HA   LYS  13           HA       LYS  13   0.983  -8.448  -8.614
   84   1HB   LYS  13           HB2      LYS  13   1.523  -7.232  -6.071
   85   2HB   LYS  13           HB1      LYS  13   1.387  -8.976  -5.848
   86   1HG   LYS  13           HG2      LYS  13   2.976  -9.290  -7.758
   87   2HG   LYS  13           HG1      LYS  13   3.182  -7.538  -7.818
   88   1HD   LYS  13           HD2      LYS  13   3.927  -7.582  -5.437
   89   2HD   LYS  13           HD1      LYS  13   3.827  -9.342  -5.468
   90   1HE   LYS  13           HE2      LYS  13   5.349  -8.282  -7.728
   91   2HE   LYS  13           HE1      LYS  13   6.050  -7.826  -6.175
   92   1HZ   LYS  13           HZ3      LYS  13   5.827 -10.216  -5.533
   93   2HZ   LYS  13           HZ2      LYS  13   5.435 -10.555  -7.151
   94   3HZ   LYS  13           HZ1      LYS  13   6.958  -9.911  -6.760
   95    HA   PRO  14           HA       PRO  14  -2.201 -11.402  -7.751
   96   1HB   PRO  14           HB2      PRO  14  -0.847 -13.613  -8.658
   97   2HB   PRO  14           HB1      PRO  14  -1.582 -12.408  -9.730
   98   1HG   PRO  14           HG2      PRO  14   1.296 -12.832  -9.072
   99   2HG   PRO  14           HG1      PRO  14   0.569 -12.137 -10.529
  100   1HD   PRO  14           HD2      PRO  14   1.779 -10.684  -8.445
  101   2HD   PRO  14           HD1      PRO  14   0.744 -10.013  -9.694
  102    H    ALA  15           HN       ALA  15   0.239 -10.862  -5.802
  103    HA   ALA  15           HA       ALA  15  -0.507 -12.392  -3.623
  104   1HB   ALA  15           HB1      ALA  15   0.953 -13.986  -5.610
  105   2HB   ALA  15           HB3      ALA  15   1.681 -14.046  -4.005
  106   3HB   ALA  15           HB2      ALA  15  -0.003 -14.520  -4.227
  107    H    CYS  16           HN       CYS  16   0.711 -11.702  -1.862
  108    HA   CYS  16           HA       CYS  16   3.178 -10.148  -2.531
  109   1HB   CYS  16           HB2      CYS  16   1.283  -8.888  -1.462
  110   2HB   CYS  16           HB1      CYS  16   1.451  -9.932  -0.053
  111    H    THR  17           HN       THR  17   4.932 -10.223  -1.018
  112    HA   THR  17           HA       THR  17   5.599 -12.870  -0.117
  113    HB   THR  17           HB       THR  17   7.288 -11.164   1.274
  114    HG1  THR  17           HG1      THR  17   7.702  -9.492  -0.219
  115   1HG2  THR  17          HG22      THR  17   7.317 -12.479  -1.407
  116   2HG2  THR  17          HG21      THR  17   8.632 -11.376  -1.002
  117   3HG2  THR  17          HG23      THR  17   8.326 -12.792   0.004
  118    H    LEU  18           HN       LEU  18   6.605 -12.253   2.589
  119    HA   LEU  18           HA       LEU  18   3.948 -11.921   3.911
  120   1HB   LEU  18           HB2      LEU  18   5.220 -13.291   5.791
  121   2HB   LEU  18           HB1      LEU  18   4.461 -14.113   4.429
  122    HG   LEU  18           HG       LEU  18   6.673 -14.011   3.230
  123   1HD1  LEU  18          HD13      LEU  18   7.384 -12.689   5.814
  124   2HD1  LEU  18          HD12      LEU  18   8.583 -13.758   5.086
  125   3HD1  LEU  18          HD11      LEU  18   7.983 -12.365   4.187
  126   1HD2  LEU  18          HD23      LEU  18   5.758 -15.917   4.789
  127   2HD2  LEU  18          HD22      LEU  18   7.433 -15.979   4.243
  128   3HD2  LEU  18          HD21      LEU  18   7.057 -15.404   5.867
  129    H    GLU  19           HN       GLU  19   7.000 -10.476   3.605
  130    HA   GLU  19           HA       GLU  19   7.604  -9.592   6.177
  131   1HB   GLU  19           HB2      GLU  19   8.689  -7.688   5.179
  132   2HB   GLU  19           HB1      GLU  19   8.905  -9.040   4.072
  133   1HG   GLU  19           HG2      GLU  19   6.513  -7.285   3.677
  134   2HG   GLU  19           HG1      GLU  19   8.084  -6.662   3.207
  135    H    TYR  20           HN       TYR  20   6.654  -8.174   7.547
  136    HA   TYR  20           HA       TYR  20   3.977  -7.191   6.734
  137   1HB   TYR  20           HB2      TYR  20   4.323  -8.553   8.840
  138   2HB   TYR  20           HB1      TYR  20   5.119  -7.141   9.527
  139    HD1  TYR  20           HD2      TYR  20   2.158  -7.383   7.224
  140    HD2  TYR  20           HD1      TYR  20   3.621  -6.263  11.113
  141    HE1  TYR  20           HE2      TYR  20  -0.046  -6.408   7.774
  142    HE2  TYR  20           HE1      TYR  20   1.405  -5.291  11.660
  143    HH   TYR  20           HH       TYR  20  -0.563  -4.326  10.297
  144    H    ARG  21           HN       ARG  21   3.555  -5.167   6.432
  145    HA   ARG  21           HA       ARG  21   4.992  -2.962   7.700
  146   1HB   ARG  21           HB2      ARG  21   5.515  -3.772   4.864
  147   2HB   ARG  21           HB1      ARG  21   5.365  -2.048   5.201
  148   1HG   ARG  21           HG2      ARG  21   7.006  -3.307   7.218
  149   2HG   ARG  21           HG1      ARG  21   7.637  -3.669   5.611
  150   1HD   ARG  21           HD2      ARG  21   8.495  -1.594   5.503
  151   2HD   ARG  21           HD1      ARG  21   6.862  -0.933   5.607
  152    HE   ARG  21           HE       ARG  21   7.398  -1.427   8.226
  153   1HH1  ARG  21          HH21      ARG  21  10.330  -1.382   7.388
  154   2HH1  ARG  21          HH22      ARG  21  10.737   0.274   7.689
  155   1HH2  ARG  21          HH11      ARG  21   7.439   1.323   7.896
  156   2HH2  ARG  21          HH12      ARG  21   9.100   1.806   7.979
  157    HA   PRO  22           HA       PRO  22   0.511  -2.584   6.659
  158   1HB   PRO  22           HB2      PRO  22  -0.074  -1.265   9.029
  159   2HB   PRO  22           HB1      PRO  22  -0.144  -3.030   8.801
  160   1HG   PRO  22           HG2      PRO  22   1.983  -1.371  10.119
  161   2HG   PRO  22           HG1      PRO  22   1.439  -3.014  10.508
  162   1HD   PRO  22           HD2      PRO  22   3.772  -2.476   9.123
  163   2HD   PRO  22           HD1      PRO  22   2.861  -3.993   8.956
  164    H    LEU  23           HN       LEU  23  -0.003  -0.952   5.273
  165    HA   LEU  23           HA       LEU  23   1.101   1.746   5.942
  166   1HB   LEU  23           HB2      LEU  23   0.087   0.763   3.269
  167   2HB   LEU  23           HB1      LEU  23   1.028   2.225   3.594
  168    HG   LEU  23           HG       LEU  23   2.485   0.133   4.759
  169   1HD1  LEU  23          HD12      LEU  23   1.431  -0.594   2.017
  170   2HD1  LEU  23          HD11      LEU  23   2.825  -1.359   2.779
  171   3HD1  LEU  23          HD13      LEU  23   1.228  -1.512   3.510
  172   1HD2  LEU  23          HD23      LEU  23   2.817   1.613   2.143
  173   2HD2  LEU  23          HD22      LEU  23   3.439   2.104   3.718
  174   3HD2  LEU  23          HD21      LEU  23   4.085   0.669   2.923
  175    H    CYS  24           HN       CYS  24  -0.291   3.368   6.319
  176    HA   CYS  24           HA       CYS  24  -3.156   2.778   6.551
  177   1HB   CYS  24           HB2      CYS  24  -2.374   4.212   8.263
  178   2HB   CYS  24           HB1      CYS  24  -1.371   5.110   7.148
  179    H    GLY  25           HN       GLY  25  -4.325   2.794   4.634
  180   1HA   GLY  25           HA2      GLY  25  -3.432   4.194   2.315
  181   2HA   GLY  25           HA1      GLY  25  -5.009   3.579   2.520
  182    H    SER  26           HN       SER  26  -5.563   5.749   1.396
  183    HA   SER  26           HA       SER  26  -5.401   8.103   3.154
  184   1HB   SER  26           HB2      SER  26  -5.363   8.682   0.860
  185   2HB   SER  26           HB1      SER  26  -6.670   7.570   0.464
  186    HG   SER  26           HG       SER  26  -6.744  10.094   1.691
  187    H    ASP  27           HN       ASP  27  -7.753   5.650   2.284
  188    HA   ASP  27           HA       ASP  27 -10.053   6.923   3.439
  189   1HB   ASP  27           HB2      ASP  27 -10.735   4.350   3.719
  190   2HB   ASP  27           HB1      ASP  27 -10.743   5.146   2.147
  191    H    ASN  28           HN       ASN  28  -7.256   5.770   4.892
  192    HA   ASN  28           HA       ASN  28  -6.716   5.884   7.188
  193   1HB   ASN  28           HB2      ASN  28  -8.952   7.235   7.340
  194   2HB   ASN  28           HB1      ASN  28  -9.627   5.717   7.931
  195   1HD2  ASN  28          HD22      ASN  28  -8.530   6.657  11.154
  196   2HD2  ASN  28          HD21      ASN  28  -9.843   6.240  10.163
  197    H    LYS  29           HN       LYS  29  -7.658   3.469   5.444
  198    HA   LYS  29           HA       LYS  29  -7.996   1.584   7.737
  199   1HB   LYS  29           HB2      LYS  29  -8.715  -0.056   5.918
  200   2HB   LYS  29           HB1      LYS  29  -9.798   1.306   6.187
  201   1HG   LYS  29           HG2      LYS  29  -9.174   2.367   4.232
  202   2HG   LYS  29           HG1      LYS  29  -7.590   1.591   4.213
  203   1HD   LYS  29           HD2      LYS  29  -8.667   0.411   2.518
  204   2HD   LYS  29           HD1      LYS  29  -9.022  -0.611   3.911
  205   1HE   LYS  29           HE2      LYS  29 -11.216  -0.327   3.507
  206   2HE   LYS  29           HE1      LYS  29 -11.024   1.390   3.864
  207   1HZ   LYS  29           HZ3      LYS  29 -10.026   0.929   1.301
  208   2HZ   LYS  29           HZ2      LYS  29 -11.543   0.168   1.393
  209   3HZ   LYS  29           HZ1      LYS  29 -11.397   1.824   1.743
  210    H    THR  30           HN       THR  30  -6.217   0.575   8.272
  211    HA   THR  30           HA       THR  30  -3.724   0.758   6.942
  212    HB   THR  30           HB       THR  30  -4.753  -1.299   8.921
  213    HG1  THR  30           HG1      THR  30  -4.504   0.990   9.489
  214   1HG2  THR  30          HG22      THR  30  -2.007  -0.861   7.741
  215   2HG2  THR  30          HG21      THR  30  -2.236  -1.650   9.302
  216   3HG2  THR  30          HG23      THR  30  -2.924  -2.363   7.843
  217    H    TYR  31           HN       TYR  31  -2.507  -1.050   5.952
  218    HA   TYR  31           HA       TYR  31  -4.229  -3.092   4.646
  219   1HB   TYR  31           HB2      TYR  31  -2.588  -1.010   3.320
  220   2HB   TYR  31           HB1      TYR  31  -2.266  -2.644   2.783
  221    HD1  TYR  31           HD2      TYR  31  -4.611  -4.105   2.648
  222    HD2  TYR  31           HD1      TYR  31  -4.191   0.127   2.095
  223    HE1  TYR  31           HE2      TYR  31  -6.717  -4.072   1.344
  224    HE2  TYR  31           HE1      TYR  31  -6.300   0.165   0.791
  225    HH   TYR  31           HH       TYR  31  -7.647  -1.486  -0.574
  226    H    GLY  32           HN       GLY  32  -3.330  -5.128   4.829
  227   1HA   GLY  32           HA2      GLY  32  -1.587  -5.919   6.683
  228   2HA   GLY  32           HA1      GLY  32  -1.576  -6.748   5.143
  229    H    ASN  33           HN       ASN  33  -0.441  -4.910   3.455
  230    HA   ASN  33           HA       ASN  33   1.855  -3.676   4.652
  231   1HB   ASN  33           HB2      ASN  33   3.608  -5.112   3.708
  232   2HB   ASN  33           HB1      ASN  33   2.601  -5.996   4.843
  233   1HD2  ASN  33          HD22      ASN  33   2.687  -8.374   2.149
  234   2HD2  ASN  33          HD21      ASN  33   3.516  -7.903   3.550
  235    H    LYS  34           HN       LYS  34   3.599  -3.709   2.496
  236    HA   LYS  34           HA       LYS  34   2.632  -1.615   0.941
  237   1HB   LYS  34           HB2      LYS  34   4.523  -1.998  -0.523
  238   2HB   LYS  34           HB1      LYS  34   5.027  -2.377   1.126
  239   1HG   LYS  34           HG2      LYS  34   4.628  -4.774   0.715
  240   2HG   LYS  34           HG1      LYS  34   4.081  -4.405  -0.921
  241   1HD   LYS  34           HD2      LYS  34   6.536  -3.136  -0.802
  242   2HD   LYS  34           HD1      LYS  34   6.809  -4.622   0.111
  243   1HE   LYS  34           HE2      LYS  34   5.733  -5.885  -1.798
  244   2HE   LYS  34           HE1      LYS  34   5.743  -4.379  -2.716
  245   1HZ   LYS  34           HZ3      LYS  34   8.199  -5.458  -1.472
  246   2HZ   LYS  34           HZ2      LYS  34   7.699  -5.945  -3.021
  247   3HZ   LYS  34           HZ1      LYS  34   8.062  -4.314  -2.716
  248    H    CYS  35           HN       CYS  35   2.451  -5.100   0.149
  249    HA   CYS  35           HA       CYS  35   1.388  -4.591  -2.462
  250   1HB   CYS  35           HB2      CYS  35   0.926  -7.129  -0.925
  251   2HB   CYS  35           HB1      CYS  35   1.178  -6.909  -2.650
  252    H    ASN  36           HN       ASN  36  -0.169  -5.663   0.583
  253    HA   ASN  36           HA       ASN  36  -2.800  -5.618  -0.515
  254   1HB   ASN  36           HB2      ASN  36  -1.851  -5.239   2.333
  255   2HB   ASN  36           HB1      ASN  36  -3.545  -5.411   1.878
  256   1HD2  ASN  36          HD22      ASN  36  -1.056  -8.654   1.610
  257   2HD2  ASN  36          HD21      ASN  36  -0.411  -7.096   1.773
  258    H    PHE  37           HN       PHE  37  -0.636  -3.069   0.343
  259    HA   PHE  37           HA       PHE  37  -2.725  -1.050   0.731
  260   1HB   PHE  37           HB2      PHE  37  -0.572  -0.675   1.773
  261   2HB   PHE  37           HB1      PHE  37   0.260  -0.787   0.370
  262    HD1  PHE  37           HD1      PHE  37  -2.919   0.941   0.985
  263    HD2  PHE  37           HD2      PHE  37   1.202   1.279  -0.066
  264    HE1  PHE  37           HE1      PHE  37  -3.270   3.353   0.458
  265    HE2  PHE  37           HE2      PHE  37   0.882   3.688  -0.594
  266    HZ   PHE  37           HZ       PHE  37  -1.363   4.717  -0.338
  267    H    CYS  38           HN       CYS  38  -0.183  -1.449  -1.655
  268    HA   CYS  38           HA       CYS  38  -1.148   0.414  -3.537
  269   1HB   CYS  38           HB2      CYS  38   1.133  -0.532  -3.654
  270   2HB   CYS  38           HB1      CYS  38   0.460  -2.084  -4.148
  271    H    ASN  39           HN       ASN  39  -1.695  -3.151  -3.508
  272    HA   ASN  39           HA       ASN  39  -3.211  -3.450  -5.793
  273   1HB   ASN  39           HB2      ASN  39  -3.259  -4.667  -3.085
  274   2HB   ASN  39           HB1      ASN  39  -4.705  -4.900  -4.051
  275   1HD2  ASN  39          HD22      ASN  39  -1.701  -7.287  -4.800
  276   2HD2  ASN  39          HD21      ASN  39  -2.029  -6.528  -3.322
  277    H    ALA  40           HN       ALA  40  -4.027  -1.722  -2.875
  278    HA   ALA  40           HA       ALA  40  -6.830  -1.311  -3.546
  279   1HB   ALA  40           HB2      ALA  40  -5.879  -1.151  -1.209
  280   2HB   ALA  40           HB1      ALA  40  -5.041   0.318  -1.707
  281   3HB   ALA  40           HB3      ALA  40  -6.804   0.271  -1.691
  282    H    VAL  41           HN       VAL  41  -3.856   0.642  -3.668
  283    HA   VAL  41           HA       VAL  41  -4.873   2.961  -4.929
  284    HB   VAL  41           HB       VAL  41  -2.170   1.619  -5.254
  285   1HG1  VAL  41          HG11      VAL  41  -2.600   3.268  -7.037
  286   2HG1  VAL  41          HG13      VAL  41  -3.021   4.476  -5.822
  287   3HG1  VAL  41          HG12      VAL  41  -1.373   3.857  -5.917
  288   1HG2  VAL  41          HG21      VAL  41  -3.249   3.693  -3.330
  289   2HG2  VAL  41          HG23      VAL  41  -2.580   2.109  -2.939
  290   3HG2  VAL  41          HG22      VAL  41  -1.526   3.384  -3.547
  291    H    VAL  42           HN       VAL  42  -3.290   0.169  -6.518
  292    HA   VAL  42           HA       VAL  42  -3.758   0.946  -9.182
  293    HB   VAL  42           HB       VAL  42  -3.355  -1.415  -9.735
  294   1HG1  VAL  42          HG12      VAL  42  -1.654   0.218  -8.225
  295   2HG1  VAL  42          HG11      VAL  42  -1.556  -1.368  -7.460
  296   3HG1  VAL  42          HG13      VAL  42  -1.186  -1.192  -9.175
  297   1HG2  VAL  42          HG21      VAL  42  -4.268  -1.762  -6.929
  298   2HG2  VAL  42          HG23      VAL  42  -4.531  -2.798  -8.333
  299   3HG2  VAL  42          HG22      VAL  42  -2.984  -2.831  -7.488
  300    H    GLU  43           HN       GLU  43  -5.902  -0.610  -6.861
  301    HA   GLU  43           HA       GLU  43  -7.888  -1.172  -8.970
  302   1HB   GLU  43           HB2      GLU  43  -7.302  -2.489  -6.655
  303   2HB   GLU  43           HB1      GLU  43  -8.652  -1.492  -6.130
  304   1HG   GLU  43           HG2      GLU  43 -10.029  -2.326  -7.966
  305   2HG   GLU  43           HG1      GLU  43  -8.671  -3.273  -8.576
  306    H    SER  44           HN       SER  44  -7.016   1.393  -6.955
  307    HA   SER  44           HA       SER  44  -9.778   2.489  -6.975
  308   1HB   SER  44           HB2      SER  44  -9.280   3.583  -5.036
  309   2HB   SER  44           HB1      SER  44  -8.002   2.377  -4.916
  310    HG   SER  44           HG       SER  44  -6.559   3.849  -5.411
  311    H    ASN  45           HN       ASN  45  -7.528   2.466  -9.175
  312    HA   ASN  45           HA       ASN  45  -6.904   3.910 -10.896
  313   1HB   ASN  45           HB2      ASN  45  -9.220   5.418  -9.675
  314   2HB   ASN  45           HB1      ASN  45  -8.286   6.074 -11.012
  315   1HD2  ASN  45          HD22      ASN  45  -9.646   3.876 -13.428
  316   2HD2  ASN  45          HD21      ASN  45  -8.476   5.062 -13.105
  317    H    GLY  46           HN       GLY  46  -5.963   4.177  -7.947
  318   1HA   GLY  46           HA2      GLY  46  -4.233   5.375  -6.937
  319   2HA   GLY  46           HA1      GLY  46  -4.024   6.264  -8.434
  320    H    THR  47           HN       THR  47  -7.162   6.196  -6.958
  321    HA   THR  47           HA       THR  47  -6.885   9.084  -6.304
  322    HB   THR  47           HB       THR  47  -9.257   9.199  -6.385
  323    HG1  THR  47           HG1      THR  47 -10.285   6.935  -6.648
  324   1HG2  THR  47          HG22      THR  47  -7.882   7.683  -8.469
  325   2HG2  THR  47          HG21      THR  47  -9.609   7.332  -8.414
  326   3HG2  THR  47          HG23      THR  47  -9.053   8.991  -8.622
  327    H    LEU  48           HN       LEU  48  -6.230   6.308  -4.824
  328    HA   LEU  48           HA       LEU  48  -7.597   6.702  -2.277
  329   1HB   LEU  48           HB2      LEU  48  -7.340   4.452  -2.871
  330   2HB   LEU  48           HB1      LEU  48  -5.725   4.712  -3.516
  331    HG   LEU  48           HG       LEU  48  -5.086   5.254  -1.046
  332   1HD1  LEU  48          HD11      LEU  48  -7.544   5.283  -0.397
  333   2HD1  LEU  48          HD13      LEU  48  -7.516   3.530  -0.590
  334   3HD1  LEU  48          HD12      LEU  48  -6.492   4.301   0.623
  335   1HD2  LEU  48          HD22      LEU  48  -5.107   2.942  -2.643
  336   2HD2  LEU  48          HD21      LEU  48  -4.111   3.232  -1.217
  337   3HD2  LEU  48          HD23      LEU  48  -5.668   2.418  -1.055
  338    H    THR  49           HN       THR  49  -4.197   6.046  -2.862
  339    HA   THR  49           HA       THR  49  -2.243   6.988  -2.043
  340    HB   THR  49           HB       THR  49  -2.108   9.294  -1.769
  341    HG1  THR  49           HG1      THR  49  -4.032  10.538  -1.324
  342   1HG2  THR  49          HG23      THR  49  -4.313   8.542  -3.642
  343   2HG2  THR  49          HG22      THR  49  -3.805  10.224  -3.480
  344   3HG2  THR  49          HG21      THR  49  -2.651   9.000  -4.010
  345    H    LEU  50           HN       LEU  50  -1.253   7.300   0.001
  346    HA   LEU  50           HA       LEU  50  -3.056   6.561   2.251
  347   1HB   LEU  50           HB2      LEU  50  -1.577   4.889   2.536
  348   2HB   LEU  50           HB1      LEU  50  -0.648   5.493   1.186
  349    HG   LEU  50           HG       LEU  50  -0.189   6.852   3.796
  350   1HD1  LEU  50          HD13      LEU  50   0.480   4.006   3.129
  351   2HD1  LEU  50          HD12      LEU  50   1.444   4.946   4.268
  352   3HD1  LEU  50          HD11      LEU  50  -0.261   4.640   4.596
  353   1HD2  LEU  50          HD23      LEU  50   1.342   6.022   1.335
  354   2HD2  LEU  50          HD22      LEU  50   1.201   7.628   2.052
  355   3HD2  LEU  50          HD21      LEU  50   2.209   6.402   2.823
  356    H    SER  51           HN       SER  51  -2.053   7.292   4.484
  357    HA   SER  51           HA       SER  51  -1.398  10.195   4.198
  358   1HB   SER  51           HB2      SER  51  -3.403   9.024   5.761
  359   2HB   SER  51           HB1      SER  51  -2.083   9.191   6.848
  360    HG   SER  51           HG       SER  51  -2.487  11.228   6.936
  361    H    HIS  52           HN       HIS  52  -0.515   7.146   5.681
  362    HA   HIS  52           HA       HIS  52   2.243   7.997   6.035
  363   1HB   HIS  52           HB2      HIS  52   2.292   7.876   8.461
  364   2HB   HIS  52           HB1      HIS  52   1.071   9.056   7.989
  365    HD1  HIS  52           HD1      HIS  52   1.377   6.624  10.417
  366    HD2  HIS  52           HD2      HIS  52  -1.536   7.172   7.466
  367    HE1  HIS  52           HE1      HIS  52  -0.671   5.332  11.165
  368    H    PHE  53           HN       PHE  53   3.529   6.212   6.975
  369    HA   PHE  53           HA       PHE  53   2.589   3.623   6.030
  370   1HB   PHE  53           HB2      PHE  53   5.091   4.540   7.459
  371   2HB   PHE  53           HB1      PHE  53   4.798   2.848   7.066
  372    HD1  PHE  53           HD2      PHE  53   4.596   6.211   5.410
  373    HD2  PHE  53           HD1      PHE  53   5.632   2.059   5.046
  374    HE1  PHE  53           HE2      PHE  53   5.386   6.612   3.096
  375    HE2  PHE  53           HE1      PHE  53   6.424   2.459   2.731
  376    HZ   PHE  53           HZ       PHE  53   6.302   4.736   1.755
  377    H    GLY  54           HN       GLY  54   3.208   1.730   7.741
  378   1HA   GLY  54           HA2      GLY  54   2.712   0.689   9.791
  379   2HA   GLY  54           HA1      GLY  54   2.488   2.265  10.494
  380    H    LYS  55           HN       LYS  55   0.626   0.993  11.513
  381    HA   LYS  55           HA       LYS  55  -1.706   0.742   9.714
  382   1HB   LYS  55           HB2      LYS  55  -2.257   0.377  12.561
  383   2HB   LYS  55           HB1      LYS  55  -2.520  -0.736  11.221
  384   1HG   LYS  55           HG2      LYS  55  -0.016  -1.203  11.275
  385   2HG   LYS  55           HG1      LYS  55   0.026  -0.318  12.800
  386   1HD   LYS  55           HD2      LYS  55  -1.609  -2.799  12.196
  387   2HD   LYS  55           HD1      LYS  55  -0.223  -2.693  13.281
  388   1HE   LYS  55           HE2      LYS  55  -1.852  -0.705  14.256
  389   2HE   LYS  55           HE1      LYS  55  -3.027  -1.914  13.738
  390   1HZ   LYS  55           HZ1      LYS  55  -1.036  -3.334  14.978
  391   2HZ   LYS  55           HZ3      LYS  55  -1.250  -1.968  15.959
  392   3HZ   LYS  55           HZ2      LYS  55  -2.572  -2.978  15.612
  393    H    CYS  56           HN       CYS  56  -3.155   2.368   9.481
  394    HA   CYS  56           HA       CYS  56  -2.845   4.914  10.680
  395   1HB   CYS  56           HB2      CYS  56  -4.545   3.748   8.764
  396   2HB   CYS  56           HB1      CYS  56  -5.616   4.386  10.012
   
  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           HT1      LEU   1  13.819   9.448   7.073
    2   2H    LEU   1           HT3      LEU   1  13.820  10.300   8.540
    3   3H    LEU   1           HT2      LEU   1  12.751   9.000   8.315
    4    HA   LEU   1           HA       LEU   1  11.264  10.214   7.183
    5   1HB   LEU   1           HB2      LEU   1  12.961  12.380   8.459
    6   2HB   LEU   1           HB1      LEU   1  11.323  12.619   7.851
    7    HG   LEU   1           HG       LEU   1  11.964  10.483   9.887
    8   1HD1  LEU   1          HD13      LEU   1  11.298  13.406  10.304
    9   2HD1  LEU   1          HD12      LEU   1  11.035  12.184  11.549
   10   3HD1  LEU   1          HD11      LEU   1  12.665  12.505  10.959
   11   1HD2  LEU   1          HD22      LEU   1   9.498  11.833   8.802
   12   2HD2  LEU   1          HD21      LEU   1   9.830  10.109   8.972
   13   3HD2  LEU   1          HD23      LEU   1   9.470  11.084  10.397
   14    H    ALA   2           HN       ALA   2  12.395   9.515   5.073
   15    HA   ALA   2           HA       ALA   2  13.762  11.778   3.720
   16   1HB   ALA   2           HB3      ALA   2  14.154   9.027   3.630
   17   2HB   ALA   2           HB2      ALA   2  13.307   9.370   2.123
   18   3HB   ALA   2           HB1      ALA   2  14.819  10.199   2.492
   19    H    ALA   3           HN       ALA   3  11.353   9.383   2.598
   20    HA   ALA   3           HA       ALA   3   9.627  11.628   1.704
   21   1HB   ALA   3           HB1      ALA   3  11.174   9.830  -0.030
   22   2HB   ALA   3           HB3      ALA   3   9.454   9.870  -0.419
   23   3HB   ALA   3           HB2      ALA   3  10.393  11.364  -0.415
   24    H    VAL   4           HN       VAL   4   7.436  11.096   1.774
   25    HA   VAL   4           HA       VAL   4   6.824   8.354   2.791
   26    HB   VAL   4           HB       VAL   4   4.947  10.711   2.944
   27   1HG1  VAL   4          HG13      VAL   4   4.524   8.128   3.519
   28   2HG1  VAL   4          HG12      VAL   4   5.262   8.614   5.045
   29   3HG1  VAL   4          HG11      VAL   4   3.802   9.422   4.476
   30   1HG2  VAL   4          HG23      VAL   4   7.332  10.070   4.681
   31   2HG2  VAL   4          HG22      VAL   4   6.861  11.625   3.997
   32   3HG2  VAL   4          HG21      VAL   4   5.937  10.932   5.329
   33    H    SER   5           HN       SER   5   6.863   7.584   0.516
   34    HA   SER   5           HA       SER   5   4.191   7.677  -0.649
   35   1HB   SER   5           HB2      SER   5   5.173   8.423  -2.922
   36   2HB   SER   5           HB1      SER   5   4.886   9.672  -1.715
   37    HG   SER   5           HG       SER   5   6.931  10.048  -2.264
   38    H    VAL   6           HN       VAL   6   3.940   5.526  -1.041
   39    HA   VAL   6           HA       VAL   6   6.244   3.824  -1.648
   40    HB   VAL   6           HB       VAL   6   3.306   3.090  -1.765
   41   1HG1  VAL   6          HG12      VAL   6   4.936   1.488  -2.755
   42   2HG1  VAL   6          HG11      VAL   6   5.798   1.445  -1.217
   43   3HG1  VAL   6          HG13      VAL   6   4.147   0.833  -1.320
   44   1HG2  VAL   6          HG21      VAL   6   4.820   3.988   0.473
   45   2HG2  VAL   6          HG23      VAL   6   3.201   3.289   0.476
   46   3HG2  VAL   6          HG22      VAL   6   4.612   2.245   0.650
   47    H    ASP   7           HN       ASP   7   6.528   2.674  -3.650
   48    HA   ASP   7           HA       ASP   7   5.225   4.047  -5.960
   49   1HB   ASP   7           HB2      ASP   7   7.687   4.237  -5.862
   50   2HB   ASP   7           HB1      ASP   7   7.819   2.477  -5.855
   51    H    CYS   8           HN       CYS   8   3.399   2.770  -6.304
   52    HA   CYS   8           HA       CYS   8   3.728  -0.173  -6.447
   53   1HB   CYS   8           HB2      CYS   8   1.218   1.467  -6.893
   54   2HB   CYS   8           HB1      CYS   8   1.314  -0.263  -6.574
   55    H    SER   9           HN       SER   9   5.236   0.475  -8.398
   56    HA   SER   9           HA       SER   9   3.740   1.099 -10.861
   57   1HB   SER   9           HB2      SER   9   6.645   0.758 -10.166
   58   2HB   SER   9           HB1      SER   9   6.131   0.721 -11.849
   59    HG   SER   9           HG       SER   9   5.337   2.766 -10.064
   60    H    GLU  10           HN       GLU  10   4.540  -1.689  -9.110
   61    HA   GLU  10           HA       GLU  10   4.290  -3.353 -11.587
   62   1HB   GLU  10           HB2      GLU  10   5.560  -4.083  -8.929
   63   2HB   GLU  10           HB1      GLU  10   5.457  -5.133 -10.343
   64   1HG   GLU  10           HG2      GLU  10   7.515  -4.273 -10.819
   65   2HG   GLU  10           HG1      GLU  10   6.583  -2.915 -11.452
   66    H    TYR  11           HN       TYR  11   2.047  -2.231 -10.165
   67    HA   TYR  11           HA       TYR  11   0.851  -4.687  -8.998
   68   1HB   TYR  11           HB2      TYR  11   0.420  -1.750  -8.390
   69   2HB   TYR  11           HB1      TYR  11  -0.654  -3.006  -7.787
   70    HD1  TYR  11           HD1      TYR  11   0.227  -4.778  -6.230
   71    HD2  TYR  11           HD2      TYR  11   2.628  -1.457  -7.511
   72    HE1  TYR  11           HE1      TYR  11   1.856  -5.247  -4.405
   73    HE2  TYR  11           HE2      TYR  11   4.246  -1.920  -5.695
   74    HH   TYR  11           HH       TYR  11   3.561  -4.042  -3.119
   75    HA   PRO  12           HA       PRO  12  -1.258  -4.645  -8.168
   76   1HB   PRO  12           HB2      PRO  12  -3.345  -6.372  -8.662
   77   2HB   PRO  12           HB1      PRO  12  -3.562  -4.645  -8.329
   78   1HG   PRO  12           HG2      PRO  12  -3.889  -6.094 -10.888
   79   2HG   PRO  12           HG1      PRO  12  -4.494  -4.495 -10.425
   80   1HD   PRO  12           HD2      PRO  12  -2.179  -5.109 -12.014
   81   2HD   PRO  12           HD1      PRO  12  -2.777  -3.518 -11.619
   82    H    LYS  13           HN       LYS  13  -0.873  -6.784  -7.199
   83    HA   LYS  13           HA       LYS  13   0.173  -8.810  -9.135
   84   1HB   LYS  13           HB2      LYS  13   1.491  -8.258  -6.479
   85   2HB   LYS  13           HB1      LYS  13   2.153  -9.089  -7.883
   86   1HG   LYS  13           HG2      LYS  13   2.283  -7.037  -9.138
   87   2HG   LYS  13           HG1      LYS  13   1.406  -6.159  -7.884
   88   1HD   LYS  13           HD2      LYS  13   3.868  -5.769  -7.778
   89   2HD   LYS  13           HD1      LYS  13   3.235  -6.505  -6.306
   90   1HE   LYS  13           HE2      LYS  13   5.252  -7.692  -6.912
   91   2HE   LYS  13           HE1      LYS  13   3.884  -8.754  -7.245
   92   1HZ   LYS  13           HZ2      LYS  13   3.958  -8.052  -9.560
   93   2HZ   LYS  13           HZ1      LYS  13   5.296  -7.058  -9.232
   94   3HZ   LYS  13           HZ3      LYS  13   5.437  -8.742  -9.085
   95    HA   PRO  14           HA       PRO  14  -2.368 -11.439  -6.620
   96   1HB   PRO  14           HB2      PRO  14  -1.652 -13.801  -7.826
   97   2HB   PRO  14           HB1      PRO  14  -2.780 -12.637  -8.544
   98   1HG   PRO  14           HG2      PRO  14   0.042 -13.219  -9.288
   99   2HG   PRO  14           HG1      PRO  14  -1.263 -12.548 -10.279
  100   1HD   PRO  14           HD2      PRO  14   0.858 -11.097  -9.114
  101   2HD   PRO  14           HD1      PRO  14  -0.581 -10.409  -9.831
  102    H    ALA  15           HN       ALA  15   0.721 -10.922  -6.128
  103    HA   ALA  15           HA       ALA  15   0.959 -13.057  -4.071
  104   1HB   ALA  15           HB3      ALA  15   2.379 -13.290  -6.359
  105   2HB   ALA  15           HB2      ALA  15   3.472 -12.255  -5.441
  106   3HB   ALA  15           HB1      ALA  15   2.995 -13.824  -4.795
  107    H    CYS  16           HN       CYS  16   1.074 -11.949  -2.189
  108    HA   CYS  16           HA       CYS  16   2.275  -9.233  -2.197
  109   1HB   CYS  16           HB2      CYS  16   0.661 -10.674  -0.070
  110   2HB   CYS  16           HB1      CYS  16   1.212  -9.001   0.021
  111    H    THR  17           HN       THR  17   4.112  -8.749  -1.016
  112    HA   THR  17           HA       THR  17   6.055 -10.673  -0.459
  113    HB   THR  17           HB       THR  17   7.016  -8.987   1.148
  114    HG1  THR  17           HG1      THR  17   4.784  -7.415   0.431
  115   1HG2  THR  17          HG21      THR  17   6.136  -8.344  -1.631
  116   2HG2  THR  17          HG23      THR  17   6.847  -7.044  -0.673
  117   3HG2  THR  17          HG22      THR  17   7.767  -8.517  -0.983
  118    H    LEU  18           HN       LEU  18   6.827 -11.282   1.876
  119    HA   LEU  18           HA       LEU  18   4.376 -12.003   3.399
  120   1HB   LEU  18           HB2      LEU  18   6.121 -13.726   4.450
  121   2HB   LEU  18           HB1      LEU  18   5.251 -14.078   2.965
  122    HG   LEU  18           HG       LEU  18   7.710 -14.558   2.867
  123   1HD1  LEU  18          HD11      LEU  18   6.062 -13.232   0.968
  124   2HD1  LEU  18          HD13      LEU  18   7.708 -12.622   0.791
  125   3HD1  LEU  18          HD12      LEU  18   7.392 -14.353   0.674
  126   1HD2  LEU  18          HD23      LEU  18   7.837 -11.596   3.327
  127   2HD2  LEU  18          HD22      LEU  18   8.773 -12.874   4.089
  128   3HD2  LEU  18          HD21      LEU  18   9.105 -12.411   2.421
  129    H    GLU  19           HN       GLU  19   6.875  -9.846   3.516
  130    HA   GLU  19           HA       GLU  19   7.483 -10.017   6.358
  131   1HB   GLU  19           HB2      GLU  19   8.638  -7.899   6.024
  132   2HB   GLU  19           HB1      GLU  19   9.034  -8.967   4.678
  133   1HG   GLU  19           HG2      GLU  19   6.617  -7.365   4.209
  134   2HG   GLU  19           HG1      GLU  19   8.069  -6.390   4.431
  135    H    TYR  20           HN       TYR  20   7.053  -7.515   7.327
  136    HA   TYR  20           HA       TYR  20   4.171  -7.019   6.810
  137   1HB   TYR  20           HB2      TYR  20   4.453  -8.420   8.861
  138   2HB   TYR  20           HB1      TYR  20   5.311  -7.072   9.606
  139    HD1  TYR  20           HD2      TYR  20   2.370  -7.075   7.288
  140    HD2  TYR  20           HD1      TYR  20   3.829  -6.206  11.236
  141    HE1  TYR  20           HE2      TYR  20   0.204  -6.014   7.847
  142    HE2  TYR  20           HE1      TYR  20   1.657  -5.146  11.799
  143    HH   TYR  20           HH       TYR  20  -0.853  -5.473  10.830
  144    H    ARG  21           HN       ARG  21   3.748  -5.041   6.442
  145    HA   ARG  21           HA       ARG  21   4.969  -2.792   7.835
  146   1HB   ARG  21           HB2      ARG  21   5.420  -3.079   4.843
  147   2HB   ARG  21           HB1      ARG  21   5.923  -1.720   5.850
  148   1HG   ARG  21           HG2      ARG  21   7.298  -3.356   7.206
  149   2HG   ARG  21           HG1      ARG  21   6.939  -4.570   5.977
  150   1HD   ARG  21           HD2      ARG  21   8.014  -3.247   4.262
  151   2HD   ARG  21           HD1      ARG  21   8.216  -1.891   5.372
  152    HE   ARG  21           HE       ARG  21   9.533  -4.469   6.049
  153   1HH1  ARG  21          HH11      ARG  21  10.735  -2.780   7.744
  154   2HH1  ARG  21          HH12      ARG  21  11.945  -1.894   6.877
  155   1HH2  ARG  21          HH21      ARG  21  10.633  -2.641   3.755
  156   2HH2  ARG  21          HH22      ARG  21  11.890  -1.818   4.618
  157    HA   PRO  22           HA       PRO  22   0.612  -2.575   6.442
  158   1HB   PRO  22           HB2      PRO  22  -0.231  -1.310   8.758
  159   2HB   PRO  22           HB1      PRO  22  -0.181  -3.074   8.530
  160   1HG   PRO  22           HG2      PRO  22   1.718  -1.304  10.028
  161   2HG   PRO  22           HG1      PRO  22   1.259  -2.986  10.352
  162   1HD   PRO  22           HD2      PRO  22   3.652  -2.236   9.154
  163   2HD   PRO  22           HD1      PRO  22   2.895  -3.832   8.956
  164    H    LEU  23           HN       LEU  23   0.112  -0.926   5.049
  165    HA   LEU  23           HA       LEU  23   1.090   1.791   5.807
  166   1HB   LEU  23           HB2      LEU  23   0.171   0.934   3.063
  167   2HB   LEU  23           HB1      LEU  23   1.197   2.304   3.498
  168    HG   LEU  23           HG       LEU  23   2.371  -0.111   4.518
  169   1HD1  LEU  23          HD12      LEU  23   1.006  -1.104   2.636
  170   2HD1  LEU  23          HD11      LEU  23   1.958  -0.118   1.526
  171   3HD1  LEU  23          HD13      LEU  23   2.748  -1.351   2.507
  172   1HD2  LEU  23          HD23      LEU  23   3.286   2.235   3.729
  173   2HD2  LEU  23          HD22      LEU  23   4.289   0.792   3.587
  174   3HD2  LEU  23          HD21      LEU  23   3.435   1.414   2.176
  175    H    CYS  24           HN       CYS  24  -0.395   3.381   6.100
  176    HA   CYS  24           HA       CYS  24  -3.225   2.585   6.179
  177   1HB   CYS  24           HB2      CYS  24  -2.534   3.885   8.050
  178   2HB   CYS  24           HB1      CYS  24  -1.690   5.031   7.035
  179    H    GLY  25           HN       GLY  25  -4.870   3.998   5.174
  180   1HA   GLY  25           HA2      GLY  25  -3.994   5.145   2.550
  181   2HA   GLY  25           HA1      GLY  25  -5.407   4.251   2.768
  182    H    SER  26           HN       SER  26  -5.402   6.897   1.747
  183    HA   SER  26           HA       SER  26  -6.022   8.792   3.837
  184   1HB   SER  26           HB2      SER  26  -7.338   9.696   1.546
  185   2HB   SER  26           HB1      SER  26  -5.704  10.116   2.037
  186    HG   SER  26           HG       SER  26  -6.554   8.613  -0.024
  187    H    ASP  27           HN       ASP  27  -7.789   6.242   2.346
  188    HA   ASP  27           HA       ASP  27 -10.435   7.332   2.940
  189   1HB   ASP  27           HB2      ASP  27 -11.275   5.184   2.232
  190   2HB   ASP  27           HB1      ASP  27  -9.964   5.620   1.134
  191    H    ASN  28           HN       ASN  28  -7.986   6.299   4.880
  192    HA   ASN  28           HA       ASN  28  -7.989   5.940   7.205
  193   1HB   ASN  28           HB2      ASN  28 -10.971   5.495   7.091
  194   2HB   ASN  28           HB1      ASN  28  -9.992   6.050   8.447
  195   1HD2  ASN  28          HD22      ASN  28 -11.527   9.135   7.208
  196   2HD2  ASN  28          HD21      ASN  28 -11.962   7.763   8.108
  197    H    LYS  29           HN       LYS  29  -7.480   3.896   5.336
  198    HA   LYS  29           HA       LYS  29  -8.484   1.541   6.845
  199   1HB   LYS  29           HB2      LYS  29  -9.758   1.524   4.824
  200   2HB   LYS  29           HB1      LYS  29  -8.353   1.929   3.844
  201   1HG   LYS  29           HG2      LYS  29  -7.889  -0.236   3.591
  202   2HG   LYS  29           HG1      LYS  29  -7.725  -0.412   5.336
  203   1HD   LYS  29           HD2      LYS  29 -10.321  -0.593   3.778
  204   2HD   LYS  29           HD1      LYS  29  -9.447  -1.951   4.489
  205   1HE   LYS  29           HE2      LYS  29 -10.266  -1.526   6.554
  206   2HE   LYS  29           HE1      LYS  29  -9.929   0.199   6.413
  207   1HZ   LYS  29           HZ3      LYS  29 -12.039  -0.521   4.679
  208   2HZ   LYS  29           HZ2      LYS  29 -12.393  -1.052   6.254
  209   3HZ   LYS  29           HZ1      LYS  29 -12.047   0.586   5.965
  210    H    THR  30           HN       THR  30  -6.892   0.011   7.259
  211    HA   THR  30           HA       THR  30  -4.122   0.777   6.524
  212    HB   THR  30           HB       THR  30  -5.299  -1.221   8.475
  213    HG1  THR  30           HG1      THR  30  -5.143   0.945   9.125
  214   1HG2  THR  30          HG21      THR  30  -2.395  -0.847   7.677
  215   2HG2  THR  30          HG23      THR  30  -2.932  -1.755   9.090
  216   3HG2  THR  30          HG22      THR  30  -3.361  -2.308   7.472
  217    H    TYR  31           HN       TYR  31  -2.662  -1.056   5.830
  218    HA   TYR  31           HA       TYR  31  -4.072  -3.188   4.332
  219   1HB   TYR  31           HB2      TYR  31  -2.112  -1.193   3.134
  220   2HB   TYR  31           HB1      TYR  31  -2.394  -2.775   2.454
  221    HD1  TYR  31           HD1      TYR  31  -4.010   0.433   3.336
  222    HD2  TYR  31           HD2      TYR  31  -4.434  -3.331   1.303
  223    HE1  TYR  31           HE1      TYR  31  -6.098   1.240   2.273
  224    HE2  TYR  31           HE2      TYR  31  -6.522  -2.519   0.239
  225    HH   TYR  31           HH       TYR  31  -8.312  -0.198   1.253
  226    H    GLY  32           HN       GLY  32  -3.174  -5.086   4.872
  227   1HA   GLY  32           HA2      GLY  32  -1.372  -5.679   6.734
  228   2HA   GLY  32           HA1      GLY  32  -1.400  -6.647   5.278
  229    H    ASN  33           HN       ASN  33  -0.259  -5.087   3.371
  230    HA   ASN  33           HA       ASN  33   2.116  -3.773   4.440
  231   1HB   ASN  33           HB2      ASN  33   3.737  -5.289   3.313
  232   2HB   ASN  33           HB1      ASN  33   2.870  -6.067   4.629
  233   1HD2  ASN  33          HD22      ASN  33   2.717  -8.484   1.860
  234   2HD2  ASN  33          HD21      ASN  33   3.880  -7.870   2.932
  235    H    LYS  34           HN       LYS  34   3.729  -3.759   2.242
  236    HA   LYS  34           HA       LYS  34   2.617  -1.757   0.639
  237   1HB   LYS  34           HB2      LYS  34   4.442  -2.530  -1.047
  238   2HB   LYS  34           HB1      LYS  34   4.949  -1.943   0.535
  239   1HG   LYS  34           HG2      LYS  34   5.426  -4.090   1.332
  240   2HG   LYS  34           HG1      LYS  34   4.384  -4.876   0.142
  241   1HD   LYS  34           HD2      LYS  34   6.979  -3.431  -0.490
  242   2HD   LYS  34           HD1      LYS  34   6.794  -5.182  -0.389
  243   1HE   LYS  34           HE2      LYS  34   5.004  -4.994  -2.175
  244   2HE   LYS  34           HE1      LYS  34   5.481  -3.309  -2.374
  245   1HZ   LYS  34           HZ1      LYS  34   7.829  -4.284  -2.620
  246   2HZ   LYS  34           HZ3      LYS  34   7.035  -5.749  -2.934
  247   3HZ   LYS  34           HZ2      LYS  34   6.758  -4.403  -3.934
  248    H    CYS  35           HN       CYS  35   2.543  -5.273   0.026
  249    HA   CYS  35           HA       CYS  35   1.522  -5.080  -2.617
  250   1HB   CYS  35           HB2      CYS  35   2.338  -7.204  -1.789
  251   2HB   CYS  35           HB1      CYS  35   1.123  -7.217  -0.515
  252    H    ASN  36           HN       ASN  36  -0.299  -5.838   0.355
  253    HA   ASN  36           HA       ASN  36  -2.874  -5.594  -0.760
  254   1HB   ASN  36           HB2      ASN  36  -1.870  -5.107   2.048
  255   2HB   ASN  36           HB1      ASN  36  -3.583  -5.055   1.630
  256   1HD2  ASN  36          HD22      ASN  36  -1.612  -8.657   1.594
  257   2HD2  ASN  36          HD21      ASN  36  -0.724  -7.213   1.596
  258    H    PHE  37           HN       PHE  37  -0.706  -3.038   0.372
  259    HA   PHE  37           HA       PHE  37  -2.747  -0.975   0.367
  260   1HB   PHE  37           HB2      PHE  37  -0.581  -0.816   1.578
  261   2HB   PHE  37           HB1      PHE  37   0.259  -0.585   0.161
  262    HD1  PHE  37           HD1      PHE  37  -2.600   0.891   2.015
  263    HD2  PHE  37           HD2      PHE  37   0.501   1.363  -0.871
  264    HE1  PHE  37           HE1      PHE  37  -3.151   3.320   1.838
  265    HE2  PHE  37           HE2      PHE  37  -0.006   3.798  -1.047
  266    HZ   PHE  37           HZ       PHE  37  -1.841   4.770   0.314
  267    H    CYS  38           HN       CYS  38  -0.267  -1.985  -1.811
  268    HA   CYS  38           HA       CYS  38  -0.758  -0.037  -3.865
  269   1HB   CYS  38           HB2      CYS  38   0.571  -2.755  -3.925
  270   2HB   CYS  38           HB1      CYS  38   0.438  -1.727  -5.347
  271    H    ASN  39           HN       ASN  39  -2.205  -3.153  -3.115
  272    HA   ASN  39           HA       ASN  39  -3.546  -3.478  -5.638
  273   1HB   ASN  39           HB2      ASN  39  -3.722  -4.664  -2.905
  274   2HB   ASN  39           HB1      ASN  39  -5.123  -4.843  -3.951
  275   1HD2  ASN  39          HD22      ASN  39  -2.058  -7.255  -4.555
  276   2HD2  ASN  39          HD21      ASN  39  -2.329  -6.400  -3.123
  277    H    ALA  40           HN       ALA  40  -4.083  -1.585  -2.785
  278    HA   ALA  40           HA       ALA  40  -6.882  -0.983  -3.434
  279   1HB   ALA  40           HB1      ALA  40  -4.958  -0.306  -1.274
  280   2HB   ALA  40           HB3      ALA  40  -6.169   0.925  -1.636
  281   3HB   ALA  40           HB2      ALA  40  -6.674  -0.699  -1.169
  282    H    VAL  41           HN       VAL  41  -3.695   0.252  -4.049
  283    HA   VAL  41           HA       VAL  41  -4.584   2.876  -4.996
  284    HB   VAL  41           HB       VAL  41  -1.945   1.412  -5.341
  285   1HG1  VAL  41          HG13      VAL  41  -2.626   3.360  -6.943
  286   2HG1  VAL  41          HG12      VAL  41  -2.354   4.386  -5.534
  287   3HG1  VAL  41          HG11      VAL  41  -1.038   3.403  -6.177
  288   1HG2  VAL  41          HG23      VAL  41  -3.044   3.283  -3.252
  289   2HG2  VAL  41          HG22      VAL  41  -2.156   1.775  -3.030
  290   3HG2  VAL  41          HG21      VAL  41  -1.310   3.226  -3.569
  291    H    VAL  42           HN       VAL  42  -4.055  -0.300  -6.304
  292    HA   VAL  42           HA       VAL  42  -4.188   0.653  -9.095
  293    HB   VAL  42           HB       VAL  42  -3.883  -1.739  -9.663
  294   1HG1  VAL  42          HG12      VAL  42  -1.973  -0.157  -8.921
  295   2HG1  VAL  42          HG11      VAL  42  -1.974  -1.094  -7.429
  296   3HG1  VAL  42          HG13      VAL  42  -1.639  -1.887  -8.965
  297   1HG2  VAL  42          HG23      VAL  42  -4.535  -2.012  -6.784
  298   2HG2  VAL  42          HG22      VAL  42  -4.865  -3.113  -8.119
  299   3HG2  VAL  42          HG21      VAL  42  -3.259  -3.064  -7.393
  300    H    GLU  43           HN       GLU  43  -6.241  -0.568  -6.637
  301    HA   GLU  43           HA       GLU  43  -8.361  -1.328  -8.545
  302   1HB   GLU  43           HB2      GLU  43  -9.649  -1.755  -6.431
  303   2HB   GLU  43           HB1      GLU  43  -8.242  -2.766  -6.583
  304   1HG   GLU  43           HG2      GLU  43  -7.786  -2.045  -4.512
  305   2HG   GLU  43           HG1      GLU  43  -7.315  -0.523  -5.269
  306    H    SER  44           HN       SER  44  -7.463   1.217  -6.326
  307    HA   SER  44           HA       SER  44 -10.037   2.597  -6.679
  308   1HB   SER  44           HB2      SER  44  -9.127   4.258  -5.137
  309   2HB   SER  44           HB1      SER  44  -8.852   2.645  -4.488
  310    HG   SER  44           HG       SER  44  -6.975   4.113  -6.033
  311    H    ASN  45           HN       ASN  45  -8.023   2.135  -8.935
  312    HA   ASN  45           HA       ASN  45  -7.337   3.326 -10.816
  313   1HB   ASN  45           HB2      ASN  45  -9.157   5.359  -9.521
  314   2HB   ASN  45           HB1      ASN  45  -8.298   5.684 -11.017
  315   1HD2  ASN  45          HD22      ASN  45 -10.476   3.736 -12.990
  316   2HD2  ASN  45          HD21      ASN  45  -9.132   4.772 -12.948
  317    H    GLY  46           HN       GLY  46  -6.174   3.655  -7.899
  318   1HA   GLY  46           HA2      GLY  46  -4.098   4.492  -7.185
  319   2HA   GLY  46           HA1      GLY  46  -3.903   5.278  -8.747
  320    H    THR  47           HN       THR  47  -6.831   5.804  -6.975
  321    HA   THR  47           HA       THR  47  -6.068   8.644  -6.623
  322    HB   THR  47           HB       THR  47  -8.422   9.053  -6.271
  323    HG1  THR  47           HG1      THR  47  -8.389   6.333  -5.729
  324   1HG2  THR  47          HG22      THR  47  -7.560   8.488  -8.609
  325   2HG2  THR  47          HG21      THR  47  -8.281   6.896  -8.381
  326   3HG2  THR  47          HG23      THR  47  -9.301   8.335  -8.367
  327    H    LEU  48           HN       LEU  48  -5.940   5.808  -4.851
  328    HA   LEU  48           HA       LEU  48  -6.696   6.887  -2.256
  329   1HB   LEU  48           HB2      LEU  48  -6.938   4.603  -2.189
  330   2HB   LEU  48           HB1      LEU  48  -5.681   4.333  -3.390
  331    HG   LEU  48           HG       LEU  48  -3.995   4.961  -1.565
  332   1HD1  LEU  48          HD12      LEU  48  -6.342   5.655  -0.221
  333   2HD1  LEU  48          HD11      LEU  48  -5.802   4.167   0.558
  334   3HD1  LEU  48          HD13      LEU  48  -4.723   5.559   0.469
  335   1HD2  LEU  48          HD23      LEU  48  -5.257   2.562  -2.222
  336   2HD2  LEU  48          HD22      LEU  48  -3.751   2.738  -1.323
  337   3HD2  LEU  48          HD21      LEU  48  -5.282   2.599  -0.459
  338    H    THR  49           HN       THR  49  -5.091   7.222  -0.532
  339    HA   THR  49           HA       THR  49  -2.302   7.544  -1.393
  340    HB   THR  49           HB       THR  49  -2.162   9.834  -0.646
  341    HG1  THR  49           HG1      THR  49  -4.125  10.921  -0.115
  342   1HG2  THR  49          HG22      THR  49  -4.427   9.336  -2.568
  343   2HG2  THR  49          HG21      THR  49  -3.579  10.873  -2.392
  344   3HG2  THR  49          HG23      THR  49  -2.712   9.450  -2.971
  345    H    LEU  50           HN       LEU  50  -1.054   6.861   0.145
  346    HA   LEU  50           HA       LEU  50  -1.990   6.044   2.719
  347   1HB   LEU  50           HB2      LEU  50  -0.145   4.864   1.806
  348   2HB   LEU  50           HB1      LEU  50   0.706   6.348   1.390
  349    HG   LEU  50           HG       LEU  50   0.590   6.695   4.044
  350   1HD1  LEU  50          HD12      LEU  50  -0.033   3.857   3.513
  351   2HD1  LEU  50          HD11      LEU  50   1.232   4.137   4.710
  352   3HD1  LEU  50          HD13      LEU  50  -0.371   4.836   4.941
  353   1HD2  LEU  50          HD22      LEU  50   2.588   6.536   2.491
  354   2HD2  LEU  50          HD21      LEU  50   2.855   5.888   4.109
  355   3HD2  LEU  50          HD23      LEU  50   2.562   4.793   2.758
  356    H    SER  51           HN       SER  51  -1.505   7.044   4.761
  357    HA   SER  51           HA       SER  51  -0.905   9.966   4.543
  358   1HB   SER  51           HB2      SER  51  -3.083   8.786   5.781
  359   2HB   SER  51           HB1      SER  51  -1.956   8.936   7.087
  360    HG   SER  51           HG       SER  51  -3.083  10.835   6.971
  361    H    HIS  52           HN       HIS  52   0.050   6.922   5.815
  362    HA   HIS  52           HA       HIS  52   2.658   7.824   6.605
  363   1HB   HIS  52           HB2      HIS  52   2.430   7.508   9.032
  364   2HB   HIS  52           HB1      HIS  52   1.313   8.763   8.495
  365    HD1  HIS  52           HD1      HIS  52   1.154   6.284  10.829
  366    HD2  HIS  52           HD2      HIS  52  -1.159   6.893   7.404
  367    HE1  HIS  52           HE1      HIS  52  -0.982   4.960  11.145
  368    H    PHE  53           HN       PHE  53   3.865   5.945   7.575
  369    HA   PHE  53           HA       PHE  53   2.903   3.446   6.401
  370   1HB   PHE  53           HB2      PHE  53   5.378   4.191   7.967
  371   2HB   PHE  53           HB1      PHE  53   5.037   2.532   7.473
  372    HD1  PHE  53           HD2      PHE  53   5.162   6.003   6.091
  373    HD2  PHE  53           HD1      PHE  53   5.708   1.809   5.338
  374    HE1  PHE  53           HE2      PHE  53   5.989   6.520   3.820
  375    HE2  PHE  53           HE1      PHE  53   6.544   2.328   3.062
  376    HZ   PHE  53           HZ       PHE  53   6.685   4.684   2.301
  377    H    GLY  54           HN       GLY  54   3.266   1.429   7.981
  378   1HA   GLY  54           HA2      GLY  54   2.621   0.312   9.956
  379   2HA   GLY  54           HA1      GLY  54   2.440   1.863  10.732
  380    H    LYS  55           HN       LYS  55   0.446   0.590  11.539
  381    HA   LYS  55           HA       LYS  55  -1.782   0.610   9.588
  382   1HB   LYS  55           HB2      LYS  55  -2.778   0.060  12.192
  383   2HB   LYS  55           HB1      LYS  55  -2.569  -1.072  10.860
  384   1HG   LYS  55           HG2      LYS  55  -0.244  -1.488  11.570
  385   2HG   LYS  55           HG1      LYS  55  -0.445  -0.346  12.900
  386   1HD   LYS  55           HD2      LYS  55  -0.982  -2.264  14.043
  387   2HD   LYS  55           HD1      LYS  55  -2.577  -1.921  13.372
  388   1HE   LYS  55           HE2      LYS  55  -1.903  -3.338  11.366
  389   2HE   LYS  55           HE1      LYS  55  -0.501  -3.848  12.309
  390   1HZ   LYS  55           HZ2      LYS  55  -3.191  -4.027  13.483
  391   2HZ   LYS  55           HZ1      LYS  55  -2.672  -5.225  12.397
  392   3HZ   LYS  55           HZ3      LYS  55  -1.804  -4.945  13.828
  393    H    CYS  56           HN       CYS  56  -3.263   2.239   9.486
  394    HA   CYS  56           HA       CYS  56  -2.861   4.747  10.671
  395   1HB   CYS  56           HB2      CYS  56  -4.836   3.536   9.015
  396   2HB   CYS  56           HB1      CYS  56  -5.677   4.365  10.327
   
  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  -0.672  14.361  -3.637
    2   2H    LEU   1           HT1      LEU   1  -2.242  14.756  -4.152
    3   3H    LEU   1           HT3      LEU   1  -1.933  13.235  -3.471
    4    HA   LEU   1           HA       LEU   1  -2.029  12.783  -5.732
    5   1HB   LEU   1           HB2      LEU   1  -2.051  15.142  -6.458
    6   2HB   LEU   1           HB1      LEU   1  -0.327  15.268  -6.104
    7    HG   LEU   1           HG       LEU   1  -0.672  12.973  -7.742
    8   1HD1  LEU   1          HD12      LEU   1  -2.860  14.391  -8.242
    9   2HD1  LEU   1          HD11      LEU   1  -1.746  15.354  -9.211
   10   3HD1  LEU   1          HD13      LEU   1  -1.959  13.637  -9.557
   11   1HD2  LEU   1          HD21      LEU   1   0.445  15.749  -8.243
   12   2HD2  LEU   1          HD23      LEU   1   1.340  14.329  -7.700
   13   3HD2  LEU   1          HD22      LEU   1   0.681  14.384  -9.335
   14    H    ALA   2           HN       ALA   2  -0.440  11.726  -3.709
   15    HA   ALA   2           HA       ALA   2   1.532  10.286  -5.037
   16   1HB   ALA   2           HB2      ALA   2   2.522  12.947  -4.037
   17   2HB   ALA   2           HB1      ALA   2   3.604  11.554  -4.061
   18   3HB   ALA   2           HB3      ALA   2   2.879  12.134  -5.561
   19    H    ALA   3           HN       ALA   3   1.446   8.591  -3.639
   20    HA   ALA   3           HA       ALA   3   0.752   8.645  -0.928
   21   1HB   ALA   3           HB1      ALA   3   2.448   6.755  -2.548
   22   2HB   ALA   3           HB3      ALA   3   2.232   6.497  -0.816
   23   3HB   ALA   3           HB2      ALA   3   0.832   6.499  -1.890
   24    H    VAL   4           HN       VAL   4   2.445   7.900   0.873
   25    HA   VAL   4           HA       VAL   4   4.608   9.939   0.792
   26    HB   VAL   4           HB       VAL   4   3.476   8.425   3.166
   27   1HG1  VAL   4          HG11      VAL   4   5.906   9.808   2.859
   28   2HG1  VAL   4          HG13      VAL   4   4.839  10.920   3.717
   29   3HG1  VAL   4          HG12      VAL   4   5.155   9.314   4.376
   30   1HG2  VAL   4          HG23      VAL   4   2.301  10.477   1.697
   31   2HG2  VAL   4          HG22      VAL   4   1.906  10.045   3.360
   32   3HG2  VAL   4          HG21      VAL   4   3.080  11.320   3.035
   33    H    SER   5           HN       SER   5   5.310   7.971  -0.736
   34    HA   SER   5           HA       SER   5   7.419   6.869  -0.988
   35   1HB   SER   5           HB2      SER   5   7.232   5.940   1.868
   36   2HB   SER   5           HB1      SER   5   8.645   5.971   0.822
   37    HG   SER   5           HG       SER   5   8.807   8.106   1.080
   38    H    VAL   6           HN       VAL   6   5.715   5.721  -2.282
   39    HA   VAL   6           HA       VAL   6   5.805   2.882  -1.621
   40    HB   VAL   6           HB       VAL   6   3.125   4.302  -1.709
   41   1HG1  VAL   6          HG12      VAL   6   3.823   1.719  -2.620
   42   2HG1  VAL   6          HG11      VAL   6   3.049   1.485  -1.053
   43   3HG1  VAL   6          HG13      VAL   6   2.198   2.344  -2.338
   44   1HG2  VAL   6          HG23      VAL   6   4.611   2.750   0.430
   45   2HG2  VAL   6          HG22      VAL   6   4.119   4.442   0.489
   46   3HG2  VAL   6          HG21      VAL   6   2.902   3.167   0.546
   47    H    ASP   7           HN       ASP   7   5.619   1.646  -3.499
   48    HA   ASP   7           HA       ASP   7   5.343   3.210  -6.016
   49   1HB   ASP   7           HB2      ASP   7   7.289   1.491  -5.342
   50   2HB   ASP   7           HB1      ASP   7   6.149   0.336  -6.036
   51    H    CYS   8           HN       CYS   8   3.949   2.384  -7.726
   52    HA   CYS   8           HA       CYS   8   2.113   0.204  -7.021
   53   1HB   CYS   8           HB2      CYS   8   1.330   2.643  -6.202
   54   2HB   CYS   8           HB1      CYS   8   0.769   2.730  -7.868
   55    H    SER   9           HN       SER   9   4.114   1.180  -9.174
   56    HA   SER   9           HA       SER   9   2.364   1.162 -11.557
   57   1HB   SER   9           HB2      SER   9   4.451   2.632 -11.312
   58   2HB   SER   9           HB1      SER   9   5.389   1.155 -11.518
   59    HG   SER   9           HG       SER   9   4.855   2.424 -13.473
   60    H    GLU  10           HN       GLU  10   3.136  -1.213  -9.590
   61    HA   GLU  10           HA       GLU  10   3.651  -3.131 -11.829
   62   1HB   GLU  10           HB2      GLU  10   4.894  -4.512 -10.060
   63   2HB   GLU  10           HB1      GLU  10   5.711  -3.068 -10.658
   64   1HG   GLU  10           HG2      GLU  10   3.937  -2.613  -8.340
   65   2HG   GLU  10           HG1      GLU  10   5.347  -3.621  -8.009
   66    H    TYR  11           HN       TYR  11   1.793  -2.364  -9.004
   67    HA   TYR  11           HA       TYR  11   0.816  -5.039  -8.569
   68   1HB   TYR  11           HB2      TYR  11  -0.003  -2.313  -7.565
   69   2HB   TYR  11           HB1      TYR  11  -0.748  -3.803  -7.003
   70    HD1  TYR  11           HD1      TYR  11   0.547  -5.462  -5.702
   71    HD2  TYR  11           HD2      TYR  11   2.302  -1.757  -6.989
   72    HE1  TYR  11           HE1      TYR  11   2.453  -5.821  -4.152
   73    HE2  TYR  11           HE2      TYR  11   4.199  -2.115  -5.435
   74    HH   TYR  11           HH       TYR  11   4.147  -4.352  -2.954
   75    HA   PRO  12           HA       PRO  12  -1.461  -5.373  -7.498
   76   1HB   PRO  12           HB2      PRO  12  -2.811  -7.636  -8.284
   77   2HB   PRO  12           HB1      PRO  12  -3.619  -6.120  -7.851
   78   1HG   PRO  12           HG2      PRO  12  -3.055  -7.236 -10.590
   79   2HG   PRO  12           HG1      PRO  12  -4.465  -6.321 -10.020
   80   1HD   PRO  12           HD2      PRO  12  -2.407  -5.159 -11.458
   81   2HD   PRO  12           HD1      PRO  12  -3.444  -4.311 -10.372
   82    H    LYS  13           HN       LYS  13  -0.667  -7.520  -6.726
   83    HA   LYS  13           HA       LYS  13   1.404  -8.657  -8.566
   84   1HB   LYS  13           HB2      LYS  13   1.727  -7.375  -6.082
   85   2HB   LYS  13           HB1      LYS  13   1.926  -9.095  -5.752
   86   1HG   LYS  13           HG2      LYS  13   3.771  -9.290  -7.162
   87   2HG   LYS  13           HG1      LYS  13   3.293  -7.902  -8.139
   88   1HD   LYS  13           HD2      LYS  13   3.824  -6.396  -6.243
   89   2HD   LYS  13           HD1      LYS  13   4.351  -7.789  -5.299
   90   1HE   LYS  13           HE2      LYS  13   5.668  -7.919  -7.824
   91   2HE   LYS  13           HE1      LYS  13   5.853  -6.275  -7.212
   92   1HZ   LYS  13           HZ2      LYS  13   6.206  -8.260  -5.179
   93   2HZ   LYS  13           HZ1      LYS  13   7.320  -8.435  -6.450
   94   3HZ   LYS  13           HZ3      LYS  13   7.215  -6.963  -5.613
   95    HA   PRO  14           HA       PRO  14  -0.626 -12.509  -7.850
   96   1HB   PRO  14           HB2      PRO  14   1.415 -14.167  -8.643
   97   2HB   PRO  14           HB1      PRO  14   0.403 -13.247  -9.769
   98   1HG   PRO  14           HG2      PRO  14   3.217 -12.732  -8.918
   99   2HG   PRO  14           HG1      PRO  14   2.409 -12.306 -10.436
  100   1HD   PRO  14           HD2      PRO  14   2.943 -10.535  -8.328
  101   2HD   PRO  14           HD1      PRO  14   1.806 -10.244  -9.628
  102    H    ALA  15           HN       ALA  15   1.415 -11.258  -5.744
  103    HA   ALA  15           HA       ALA  15   0.991 -12.950  -3.604
  104   1HB   ALA  15           HB2      ALA  15   3.293 -13.863  -5.313
  105   2HB   ALA  15           HB1      ALA  15   3.335 -14.114  -3.568
  106   3HB   ALA  15           HB3      ALA  15   2.041 -14.829  -4.529
  107    H    CYS  16           HN       CYS  16   1.632 -11.768  -1.856
  108    HA   CYS  16           HA       CYS  16   3.754  -9.714  -2.293
  109   1HB   CYS  16           HB2      CYS  16   1.492  -8.927  -1.517
  110   2HB   CYS  16           HB1      CYS  16   1.721  -9.874  -0.049
  111    H    THR  17           HN       THR  17   5.272  -9.349  -0.503
  112    HA   THR  17           HA       THR  17   6.408 -11.775   0.524
  113    HB   THR  17           HB       THR  17   7.735 -10.209   2.003
  114    HG1  THR  17           HG1      THR  17   5.713  -8.568   1.245
  115   1HG2  THR  17          HG22      THR  17   7.597 -10.234  -0.917
  116   2HG2  THR  17          HG21      THR  17   8.337  -8.765  -0.280
  117   3HG2  THR  17          HG23      THR  17   9.002 -10.343   0.144
  118    H    LEU  18           HN       LEU  18   6.555 -12.237   2.949
  119    HA   LEU  18           HA       LEU  18   3.857 -11.779   4.096
  120   1HB   LEU  18           HB2      LEU  18   4.594 -13.566   5.748
  121   2HB   LEU  18           HB1      LEU  18   4.489 -14.102   4.071
  122    HG   LEU  18           HG       LEU  18   7.109 -13.001   4.596
  123   1HD1  LEU  18          HD13      LEU  18   6.182 -13.987   6.915
  124   2HD1  LEU  18          HD12      LEU  18   6.701 -15.499   6.172
  125   3HD1  LEU  18          HD11      LEU  18   7.861 -14.194   6.417
  126   1HD2  LEU  18          HD22      LEU  18   5.909 -15.609   3.685
  127   2HD2  LEU  18          HD21      LEU  18   6.895 -14.467   2.772
  128   3HD2  LEU  18          HD23      LEU  18   7.640 -15.496   3.995
  129    H    GLU  19           HN       GLU  19   7.131 -10.729   4.489
  130    HA   GLU  19           HA       GLU  19   7.233 -10.171   7.227
  131   1HB   GLU  19           HB2      GLU  19   8.845  -8.468   6.723
  132   2HB   GLU  19           HB1      GLU  19   9.073  -9.740   5.529
  133   1HG   GLU  19           HG2      GLU  19   7.135  -7.886   4.499
  134   2HG   GLU  19           HG1      GLU  19   8.523  -6.992   5.087
  135    H    TYR  20           HN       TYR  20   6.081  -8.831   8.494
  136    HA   TYR  20           HA       TYR  20   3.798  -7.490   7.280
  137   1HB   TYR  20           HB2      TYR  20   3.718  -8.720   9.472
  138   2HB   TYR  20           HB1      TYR  20   4.580  -7.362  10.191
  139    HD1  TYR  20           HD2      TYR  20   1.953  -7.341   7.506
  140    HD2  TYR  20           HD1      TYR  20   2.960  -6.317  11.563
  141    HE1  TYR  20           HE2      TYR  20  -0.184  -6.107   7.726
  142    HE2  TYR  20           HE1      TYR  20   0.818  -5.086  11.777
  143    HH   TYR  20           HH       TYR  20  -1.474  -4.892   9.049
  144    H    ARG  21           HN       ARG  21   3.625  -5.521   6.730
  145    HA   ARG  21           HA       ARG  21   4.974  -3.282   8.040
  146   1HB   ARG  21           HB2      ARG  21   5.627  -4.027   5.163
  147   2HB   ARG  21           HB1      ARG  21   6.024  -2.477   5.903
  148   1HG   ARG  21           HG2      ARG  21   6.976  -5.174   6.903
  149   2HG   ARG  21           HG1      ARG  21   7.942  -4.048   5.951
  150   1HD   ARG  21           HD2      ARG  21   6.895  -2.512   8.059
  151   2HD   ARG  21           HD1      ARG  21   7.413  -4.025   8.801
  152    HE   ARG  21           HE       ARG  21   9.471  -3.135   7.042
  153   1HH1  ARG  21          HH21      ARG  21   9.404  -3.838  10.109
  154   2HH1  ARG  21          HH22      ARG  21  10.114  -2.392  10.744
  155   1HH2  ARG  21          HH11      ARG  21   9.728  -0.592   7.805
  156   2HH2  ARG  21          HH12      ARG  21  10.302  -0.556   9.438
  157    HA   PRO  22           HA       PRO  22   0.730  -2.848   6.231
  158   1HB   PRO  22           HB2      PRO  22  -0.234  -1.523   8.463
  159   2HB   PRO  22           HB1      PRO  22  -0.292  -3.287   8.229
  160   1HG   PRO  22           HG2      PRO  22   1.554  -1.648   9.923
  161   2HG   PRO  22           HG1      PRO  22   0.965  -3.301  10.180
  162   1HD   PRO  22           HD2      PRO  22   3.507  -2.681   9.239
  163   2HD   PRO  22           HD1      PRO  22   2.689  -4.234   8.964
  164    H    LEU  23           HN       LEU  23  -0.163  -1.050   5.231
  165    HA   LEU  23           HA       LEU  23   1.035   1.596   5.925
  166   1HB   LEU  23           HB2      LEU  23   0.481   0.511   3.145
  167   2HB   LEU  23           HB1      LEU  23   1.065   2.138   3.514
  168    HG   LEU  23           HG       LEU  23   2.752   0.392   4.936
  169   1HD1  LEU  23          HD13      LEU  23   1.684  -0.873   2.558
  170   2HD1  LEU  23          HD12      LEU  23   3.424  -0.633   2.412
  171   3HD1  LEU  23          HD11      LEU  23   2.769  -1.534   3.777
  172   1HD2  LEU  23          HD21      LEU  23   2.871   2.354   2.772
  173   2HD2  LEU  23          HD23      LEU  23   3.973   2.106   4.126
  174   3HD2  LEU  23          HD22      LEU  23   4.140   1.133   2.664
  175    H    CYS  24           HN       CYS  24  -0.528   3.167   6.215
  176    HA   CYS  24           HA       CYS  24  -3.331   2.298   5.863
  177   1HB   CYS  24           HB2      CYS  24  -2.530   3.376   7.996
  178   2HB   CYS  24           HB1      CYS  24  -2.324   4.870   7.092
  179    H    GLY  25           HN       GLY  25  -4.909   3.805   4.935
  180   1HA   GLY  25           HA2      GLY  25  -3.833   5.226   2.558
  181   2HA   GLY  25           HA1      GLY  25  -5.316   4.484   2.647
  182    H    SER  26           HN       SER  26  -5.497   6.945   1.761
  183    HA   SER  26           HA       SER  26  -5.719   8.962   3.825
  184   1HB   SER  26           HB2      SER  26  -7.362   9.802   1.755
  185   2HB   SER  26           HB1      SER  26  -5.642  10.151   1.888
  186    HG   SER  26           HG       SER  26  -7.009   8.306   0.312
  187    H    ASP  27           HN       ASP  27  -7.777   6.444   2.620
  188    HA   ASP  27           HA       ASP  27 -10.256   7.580   3.657
  189   1HB   ASP  27           HB2      ASP  27 -11.193   5.336   3.177
  190   2HB   ASP  27           HB1      ASP  27 -10.297   5.966   1.795
  191    H    ASN  28           HN       ASN  28  -7.541   6.228   5.083
  192    HA   ASN  28           HA       ASN  28  -7.160   5.847   7.384
  193   1HB   ASN  28           HB2      ASN  28 -10.129   5.658   7.841
  194   2HB   ASN  28           HB1      ASN  28  -8.865   6.152   8.966
  195   1HD2  ASN  28          HD22      ASN  28  -8.493   9.323   6.957
  196   2HD2  ASN  28          HD21      ASN  28  -7.471   7.997   7.239
  197    H    LYS  29           HN       LYS  29  -7.642   3.831   5.225
  198    HA   LYS  29           HA       LYS  29  -8.670   1.561   6.833
  199   1HB   LYS  29           HB2      LYS  29  -9.579   1.962   4.516
  200   2HB   LYS  29           HB1      LYS  29  -7.961   1.637   3.887
  201   1HG   LYS  29           HG2      LYS  29  -7.977  -0.590   4.787
  202   2HG   LYS  29           HG1      LYS  29  -9.471  -0.272   5.665
  203   1HD   LYS  29           HD2      LYS  29  -9.381   0.022   2.672
  204   2HD   LYS  29           HD1      LYS  29  -9.611  -1.567   3.404
  205   1HE   LYS  29           HE2      LYS  29 -11.308   0.482   4.621
  206   2HE   LYS  29           HE1      LYS  29 -11.619   0.281   2.897
  207   1HZ   LYS  29           HZ3      LYS  29 -11.322  -2.264   3.902
  208   2HZ   LYS  29           HZ2      LYS  29 -12.271  -1.449   5.051
  209   3HZ   LYS  29           HZ1      LYS  29 -12.771  -1.519   3.429
  210    H    THR  30           HN       THR  30  -7.265  -0.065   7.473
  211    HA   THR  30           HA       THR  30  -4.393   0.433   7.004
  212    HB   THR  30           HB       THR  30  -5.862  -1.566   8.747
  213    HG1  THR  30           HG1      THR  30  -5.856   0.529   9.535
  214   1HG2  THR  30          HG23      THR  30  -3.290  -1.852   7.656
  215   2HG2  THR  30          HG22      THR  30  -3.022  -1.246   9.288
  216   3HG2  THR  30          HG21      THR  30  -3.948  -2.725   9.038
  217    H    TYR  31           HN       TYR  31  -3.105  -0.850   5.764
  218    HA   TYR  31           HA       TYR  31  -4.391  -3.143   4.361
  219   1HB   TYR  31           HB2      TYR  31  -2.164  -1.317   3.345
  220   2HB   TYR  31           HB1      TYR  31  -2.821  -2.688   2.518
  221    HD1  TYR  31           HD2      TYR  31  -5.339  -2.760   2.021
  222    HD2  TYR  31           HD1      TYR  31  -3.229   0.800   3.167
  223    HE1  TYR  31           HE2      TYR  31  -7.186  -1.373   1.118
  224    HE2  TYR  31           HE1      TYR  31  -5.074   2.186   2.264
  225    HH   TYR  31           HH       TYR  31  -7.259   2.116   1.586
  226    H    GLY  32           HN       GLY  32  -3.307  -5.117   4.507
  227   1HA   GLY  32           HA2      GLY  32  -1.674  -5.759   6.597
  228   2HA   GLY  32           HA1      GLY  32  -1.544  -6.620   5.074
  229    H    ASN  33           HN       ASN  33  -0.491  -4.690   3.398
  230    HA   ASN  33           HA       ASN  33   1.671  -3.274   4.632
  231   1HB   ASN  33           HB2      ASN  33   3.555  -4.646   3.773
  232   2HB   ASN  33           HB1      ASN  33   2.590  -5.511   4.954
  233   1HD2  ASN  33          HD22      ASN  33   2.877  -8.055   2.416
  234   2HD2  ASN  33          HD21      ASN  33   3.674  -7.428   3.776
  235    H    LYS  34           HN       LYS  34   3.491  -3.399   2.439
  236    HA   LYS  34           HA       LYS  34   2.485  -1.340   0.884
  237   1HB   LYS  34           HB2      LYS  34   4.377  -1.697  -0.592
  238   2HB   LYS  34           HB1      LYS  34   4.884  -2.016   1.068
  239   1HG   LYS  34           HG2      LYS  34   4.528  -4.447   0.701
  240   2HG   LYS  34           HG1      LYS  34   4.066  -4.109  -0.970
  241   1HD   LYS  34           HD2      LYS  34   6.729  -3.268   0.194
  242   2HD   LYS  34           HD1      LYS  34   6.488  -4.795  -0.656
  243   1HE   LYS  34           HE2      LYS  34   6.742  -3.722  -2.615
  244   2HE   LYS  34           HE1      LYS  34   5.312  -2.757  -2.251
  245   1HZ   LYS  34           HZ2      LYS  34   7.445  -1.779  -0.728
  246   2HZ   LYS  34           HZ1      LYS  34   7.988  -1.934  -2.330
  247   3HZ   LYS  34           HZ3      LYS  34   6.613  -1.002  -1.988
  248    H    CYS  35           HN       CYS  35   2.465  -4.822  -0.016
  249    HA   CYS  35           HA       CYS  35   1.348  -4.321  -2.606
  250   1HB   CYS  35           HB2      CYS  35   0.852  -6.858  -1.081
  251   2HB   CYS  35           HB1      CYS  35   1.142  -6.632  -2.798
  252    H    ASN  36           HN       ASN  36  -0.245  -5.698   0.295
  253    HA   ASN  36           HA       ASN  36  -2.874  -5.533  -0.686
  254   1HB   ASN  36           HB2      ASN  36  -1.814  -5.267   2.136
  255   2HB   ASN  36           HB1      ASN  36  -3.536  -5.363   1.759
  256   1HD2  ASN  36          HD22      ASN  36  -1.179  -8.685   1.271
  257   2HD2  ASN  36          HD21      ASN  36  -0.466  -7.158   1.461
  258    H    PHE  37           HN       PHE  37  -0.733  -2.967   0.173
  259    HA   PHE  37           HA       PHE  37  -2.845  -1.003   0.720
  260   1HB   PHE  37           HB2      PHE  37  -0.704  -0.618   1.749
  261   2HB   PHE  37           HB1      PHE  37   0.118  -0.788   0.344
  262    HD1  PHE  37           HD1      PHE  37  -3.005   0.995   0.784
  263    HD2  PHE  37           HD2      PHE  37   1.187   1.323   0.056
  264    HE1  PHE  37           HE1      PHE  37  -3.305   3.416   0.260
  265    HE2  PHE  37           HE2      PHE  37   0.920   3.735  -0.469
  266    HZ   PHE  37           HZ       PHE  37  -1.333   4.782  -0.368
  267    H    CYS  38           HN       CYS  38  -0.259  -0.966  -1.622
  268    HA   CYS  38           HA       CYS  38  -1.333   0.899  -3.399
  269   1HB   CYS  38           HB2      CYS  38   0.895   0.581  -3.822
  270   2HB   CYS  38           HB1      CYS  38   0.817  -1.149  -3.518
  271    H    ASN  39           HN       ASN  39  -1.610  -2.701  -3.623
  272    HA   ASN  39           HA       ASN  39  -2.901  -2.891  -6.068
  273   1HB   ASN  39           HB2      ASN  39  -3.928  -4.318  -3.594
  274   2HB   ASN  39           HB1      ASN  39  -3.931  -4.888  -5.255
  275   1HD2  ASN  39          HD22      ASN  39  -1.057  -6.555  -3.619
  276   2HD2  ASN  39          HD21      ASN  39  -2.746  -6.595  -3.465
  277    H    ALA  40           HN       ALA  40  -4.032  -1.548  -3.074
  278    HA   ALA  40           HA       ALA  40  -6.811  -1.230  -3.853
  279   1HB   ALA  40           HB1      ALA  40  -5.419  -0.975  -1.490
  280   2HB   ALA  40           HB3      ALA  40  -5.645   0.714  -1.947
  281   3HB   ALA  40           HB2      ALA  40  -7.044  -0.342  -1.750
  282    H    VAL  41           HN       VAL  41  -3.953   0.854  -3.679
  283    HA   VAL  41           HA       VAL  41  -4.958   3.239  -4.775
  284    HB   VAL  41           HB       VAL  41  -2.258   1.914  -5.121
  285   1HG1  VAL  41          HG12      VAL  41  -3.131   4.752  -5.730
  286   2HG1  VAL  41          HG11      VAL  41  -1.452   4.218  -5.668
  287   3HG1  VAL  41          HG13      VAL  41  -2.542   3.560  -6.889
  288   1HG2  VAL  41          HG23      VAL  41  -3.280   4.051  -3.234
  289   2HG2  VAL  41          HG22      VAL  41  -2.845   2.395  -2.805
  290   3HG2  VAL  41          HG21      VAL  41  -1.602   3.522  -3.343
  291    H    VAL  42           HN       VAL  42  -3.179   0.747  -6.638
  292    HA   VAL  42           HA       VAL  42  -3.784   1.805  -9.171
  293    HB   VAL  42           HB       VAL  42  -1.969   0.308  -9.038
  294   1HG1  VAL  42          HG12      VAL  42  -3.775  -1.233  -7.304
  295   2HG1  VAL  42          HG11      VAL  42  -2.744  -2.206  -8.352
  296   3HG1  VAL  42          HG13      VAL  42  -2.023  -1.046  -7.236
  297   1HG2  VAL  42          HG21      VAL  42  -3.833  -0.084 -10.901
  298   2HG2  VAL  42          HG23      VAL  42  -2.390  -1.092 -10.804
  299   3HG2  VAL  42          HG22      VAL  42  -3.912  -1.664 -10.121
  300    H    GLU  43           HN       GLU  43  -5.775  -0.172  -7.068
  301    HA   GLU  43           HA       GLU  43  -7.579  -0.834  -9.315
  302   1HB   GLU  43           HB2      GLU  43  -6.956  -2.229  -7.051
  303   2HB   GLU  43           HB1      GLU  43  -8.440  -1.431  -6.553
  304   1HG   GLU  43           HG2      GLU  43  -9.659  -2.358  -8.390
  305   2HG   GLU  43           HG1      GLU  43  -8.179  -2.929  -9.160
  306    H    SER  44           HN       SER  44  -7.078   1.641  -7.068
  307    HA   SER  44           HA       SER  44  -9.930   2.478  -7.129
  308   1HB   SER  44           HB2      SER  44  -9.134   2.572  -4.896
  309   2HB   SER  44           HB1      SER  44  -7.573   3.213  -5.396
  310    HG   SER  44           HG       SER  44  -8.510   5.037  -4.870
  311    H    ASN  45           HN       ASN  45  -7.794   2.756  -9.358
  312    HA   ASN  45           HA       ASN  45  -7.240   4.391 -10.948
  313   1HB   ASN  45           HB2      ASN  45  -9.539   5.778  -9.536
  314   2HB   ASN  45           HB1      ASN  45  -8.742   6.420 -10.967
  315   1HD2  ASN  45          HD22      ASN  45 -11.076   3.077 -11.346
  316   2HD2  ASN  45          HD21      ASN  45 -10.457   3.486  -9.821
  317    H    GLY  46           HN       GLY  46  -5.705   4.206  -8.676
  318   1HA   GLY  46           HA2      GLY  46  -4.349   5.382  -7.173
  319   2HA   GLY  46           HA1      GLY  46  -4.012   6.344  -8.597
  320    H    THR  47           HN       THR  47  -7.198   6.224  -7.116
  321    HA   THR  47           HA       THR  47  -7.052   9.125  -6.615
  322    HB   THR  47           HB       THR  47  -9.431   8.900  -5.990
  323    HG1  THR  47           HG1      THR  47 -10.032   7.043  -5.268
  324   1HG2  THR  47          HG23      THR  47  -8.752   9.045  -8.400
  325   2HG2  THR  47          HG22      THR  47  -8.817   7.284  -8.479
  326   3HG2  THR  47          HG21      THR  47 -10.284   8.207  -8.152
  327    H    LEU  48           HN       LEU  48  -6.515   6.190  -4.964
  328    HA   LEU  48           HA       LEU  48  -7.095   7.139  -2.278
  329   1HB   LEU  48           HB2      LEU  48  -7.268   4.832  -2.352
  330   2HB   LEU  48           HB1      LEU  48  -6.049   4.684  -3.611
  331    HG   LEU  48           HG       LEU  48  -4.347   5.360  -1.773
  332   1HD1  LEU  48          HD12      LEU  48  -6.497   5.898  -0.288
  333   2HD1  LEU  48          HD11      LEU  48  -6.315   4.196   0.135
  334   3HD1  LEU  48          HD13      LEU  48  -4.992   5.324   0.431
  335   1HD2  LEU  48          HD23      LEU  48  -5.085   2.990  -2.783
  336   2HD2  LEU  48          HD22      LEU  48  -3.893   3.135  -1.493
  337   3HD2  LEU  48          HD21      LEU  48  -5.563   2.729  -1.105
  338    H    THR  49           HN       THR  49  -5.259   7.256  -0.649
  339    HA   THR  49           HA       THR  49  -2.616   7.844  -1.790
  340    HB   THR  49           HB       THR  49  -2.503  10.034  -0.655
  341    HG1  THR  49           HG1      THR  49  -4.064  10.642   0.590
  342   1HG2  THR  49          HG22      THR  49  -3.395   9.533  -3.076
  343   2HG2  THR  49          HG21      THR  49  -4.911  10.142  -2.411
  344   3HG2  THR  49          HG23      THR  49  -3.475  11.166  -2.415
  345    H    LEU  50           HN       LEU  50  -1.081   7.165  -0.464
  346    HA   LEU  50           HA       LEU  50  -1.628   5.834   2.006
  347   1HB   LEU  50           HB2      LEU  50   0.307   5.205   0.734
  348   2HB   LEU  50           HB1      LEU  50   0.869   6.860   0.618
  349    HG   LEU  50           HG       LEU  50   1.062   6.745   3.209
  350   1HD1  LEU  50          HD13      LEU  50   0.159   4.076   2.528
  351   2HD1  LEU  50          HD12      LEU  50   1.743   4.010   3.300
  352   3HD1  LEU  50          HD11      LEU  50   0.393   4.793   4.122
  353   1HD2  LEU  50          HD21      LEU  50   2.764   6.066   1.019
  354   2HD2  LEU  50          HD23      LEU  50   3.234   6.691   2.598
  355   3HD2  LEU  50          HD22      LEU  50   3.126   4.951   2.337
  356    H    SER  51           HN       SER  51  -1.255   6.647   4.152
  357    HA   SER  51           HA       SER  51  -0.868   9.611   4.287
  358   1HB   SER  51           HB2      SER  51  -3.044   8.208   5.249
  359   2HB   SER  51           HB1      SER  51  -2.006   8.278   6.647
  360    HG   SER  51           HG       SER  51  -3.525  10.184   5.662
  361    H    HIS  52           HN       HIS  52   0.302   6.522   5.164
  362    HA   HIS  52           HA       HIS  52   2.802   7.392   6.115
  363   1HB   HIS  52           HB2      HIS  52   2.620   7.145   8.520
  364   2HB   HIS  52           HB1      HIS  52   1.392   8.302   8.017
  365    HD1  HIS  52           HD1      HIS  52   1.143   6.395  10.583
  366    HD2  HIS  52           HD2      HIS  52  -0.606   5.717   6.855
  367    HE1  HIS  52           HE1      HIS  52  -0.766   4.765  10.959
  368    H    PHE  53           HN       PHE  53   4.026   5.566   7.012
  369    HA   PHE  53           HA       PHE  53   3.211   3.029   5.867
  370   1HB   PHE  53           HB2      PHE  53   5.507   3.914   7.615
  371   2HB   PHE  53           HB1      PHE  53   5.256   2.207   7.242
  372    HD1  PHE  53           HD2      PHE  53   4.795   5.328   5.224
  373    HD2  PHE  53           HD1      PHE  53   6.785   1.543   5.605
  374    HE1  PHE  53           HE2      PHE  53   5.834   5.659   3.010
  375    HE2  PHE  53           HE1      PHE  53   7.842   1.877   3.386
  376    HZ   PHE  53           HZ       PHE  53   7.373   3.937   2.090
  377    H    GLY  54           HN       GLY  54   3.835   1.142   7.815
  378   1HA   GLY  54           HA2      GLY  54   2.829  -0.046   9.552
  379   2HA   GLY  54           HA1      GLY  54   2.693   1.495  10.370
  380    H    LYS  55           HN       LYS  55   0.631   0.338  11.089
  381    HA   LYS  55           HA       LYS  55  -1.531   0.336   9.147
  382   1HB   LYS  55           HB2      LYS  55  -1.688  -1.497  10.565
  383   2HB   LYS  55           HB1      LYS  55  -1.017  -0.631  11.920
  384   1HG   LYS  55           HG2      LYS  55  -2.974   0.119  12.631
  385   2HG   LYS  55           HG1      LYS  55  -3.543   0.430  11.008
  386   1HD   LYS  55           HD2      LYS  55  -4.874  -1.383  11.246
  387   2HD   LYS  55           HD1      LYS  55  -3.396  -2.336  11.098
  388   1HE   LYS  55           HE2      LYS  55  -4.384  -3.066  13.133
  389   2HE   LYS  55           HE1      LYS  55  -3.102  -1.959  13.627
  390   1HZ   LYS  55           HZ2      LYS  55  -5.844  -0.979  13.161
  391   2HZ   LYS  55           HZ1      LYS  55  -5.421  -1.684  14.648
  392   3HZ   LYS  55           HZ3      LYS  55  -4.611  -0.294  14.109
  393    H    CYS  56           HN       CYS  56  -3.451   1.588   9.621
  394    HA   CYS  56           HA       CYS  56  -3.104   4.323   9.999
  395   1HB   CYS  56           HB2      CYS  56  -5.586   2.866  10.941
  396   2HB   CYS  56           HB1      CYS  56  -5.473   4.502  10.292
   
  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           HT3      LEU   1  17.010  11.578   6.843
    2   2H    LEU   1           HT2      LEU   1  17.971  12.656   5.948
    3   3H    LEU   1           HT1      LEU   1  16.573  13.213   6.736
    4    HA   LEU   1           HA       LEU   1  15.734  13.029   4.649
    5   1HB   LEU   1           HB2      LEU   1  18.122  11.504   4.289
    6   2HB   LEU   1           HB1      LEU   1  16.777  10.558   3.651
    7    HG   LEU   1           HG       LEU   1  16.026  12.582   2.378
    8   1HD1  LEU   1          HD13      LEU   1  18.550  13.676   3.621
    9   2HD1  LEU   1          HD12      LEU   1  17.921  14.330   2.109
   10   3HD1  LEU   1          HD11      LEU   1  16.944  14.402   3.576
   11   1HD2  LEU   1          HD23      LEU   1  18.268  10.872   1.887
   12   2HD2  LEU   1          HD22      LEU   1  17.199  11.629   0.707
   13   3HD2  LEU   1          HD21      LEU   1  18.652  12.470   1.249
   14    H    ALA   2           HN       ALA   2  13.883  11.822   3.959
   15    HA   ALA   2           HA       ALA   2  13.305   9.177   4.980
   16   1HB   ALA   2           HB3      ALA   2  12.838  11.278   6.787
   17   2HB   ALA   2           HB2      ALA   2  11.252  10.879   6.127
   18   3HB   ALA   2           HB1      ALA   2  12.223   9.630   6.907
   19    H    ALA   3           HN       ALA   3  12.314   8.458   3.152
   20    HA   ALA   3           HA       ALA   3  10.603  10.273   1.578
   21   1HB   ALA   3           HB3      ALA   3  12.233   8.089   0.953
   22   2HB   ALA   3           HB2      ALA   3  10.592   7.480   0.744
   23   3HB   ALA   3           HB1      ALA   3  11.122   8.909  -0.145
   24    H    VAL   4           HN       VAL   4   8.363  10.040   1.365
   25    HA   VAL   4           HA       VAL   4   7.073   7.894   2.991
   26    HB   VAL   4           HB       VAL   4   7.082  10.044   4.265
   27   1HG1  VAL   4          HG12      VAL   4   6.454  11.091   1.691
   28   2HG1  VAL   4          HG11      VAL   4   5.075  11.417   2.741
   29   3HG1  VAL   4          HG13      VAL   4   6.683  11.984   3.195
   30   1HG2  VAL   4          HG23      VAL   4   5.031   8.274   3.931
   31   2HG2  VAL   4          HG22      VAL   4   4.985   9.620   5.067
   32   3HG2  VAL   4          HG21      VAL   4   4.239   9.783   3.478
   33    H    SER   5           HN       SER   5   7.032   7.110   0.617
   34    HA   SER   5           HA       SER   5   4.362   7.480  -0.405
   35   1HB   SER   5           HB2      SER   5   6.642   8.817  -1.876
   36   2HB   SER   5           HB1      SER   5   5.116   8.408  -2.653
   37    HG   SER   5           HG       SER   5   4.301  10.113  -1.756
   38    H    VAL   6           HN       VAL   6   3.879   5.930  -2.035
   39    HA   VAL   6           HA       VAL   6   6.123   4.111  -2.793
   40    HB   VAL   6           HB       VAL   6   3.357   3.169  -1.991
   41   1HG1  VAL   6          HG13      VAL   6   5.108   1.887  -3.550
   42   2HG1  VAL   6          HG12      VAL   6   5.816   1.469  -1.988
   43   3HG1  VAL   6          HG11      VAL   6   4.146   1.028  -2.347
   44   1HG2  VAL   6          HG21      VAL   6   5.912   3.455  -0.402
   45   2HG2  VAL   6          HG23      VAL   6   4.290   3.999   0.028
   46   3HG2  VAL   6          HG22      VAL   6   4.676   2.278   0.042
   47    H    ASP   7           HN       ASP   7   6.102   3.578  -4.946
   48    HA   ASP   7           HA       ASP   7   4.113   4.832  -6.666
   49   1HB   ASP   7           HB2      ASP   7   5.441   3.879  -8.496
   50   2HB   ASP   7           HB1      ASP   7   6.502   4.642  -7.314
   51    H    CYS   8           HN       CYS   8   3.718   2.971  -8.680
   52    HA   CYS   8           HA       CYS   8   2.662   0.485  -7.514
   53   1HB   CYS   8           HB2      CYS   8   0.925   2.779  -8.345
   54   2HB   CYS   8           HB1      CYS   8   0.371   1.137  -8.687
   55    H    SER   9           HN       SER   9   4.661   0.913  -9.463
   56    HA   SER   9           HA       SER   9   3.447   0.608 -12.116
   57   1HB   SER   9           HB2      SER   9   5.960   1.412 -11.149
   58   2HB   SER   9           HB1      SER   9   6.253  -0.104 -11.996
   59    HG   SER   9           HG       SER   9   5.063   2.277 -12.956
   60    H    GLU  10           HN       GLU  10   4.437  -1.452  -9.551
   61    HA   GLU  10           HA       GLU  10   4.277  -3.814 -11.384
   62   1HB   GLU  10           HB2      GLU  10   5.656  -3.521  -8.696
   63   2HB   GLU  10           HB1      GLU  10   5.542  -5.028  -9.605
   64   1HG   GLU  10           HG2      GLU  10   7.538  -4.346 -10.479
   65   2HG   GLU  10           HG1      GLU  10   6.509  -3.372 -11.530
   66    H    TYR  11           HN       TYR  11   1.900  -2.675 -10.575
   67    HA   TYR  11           HA       TYR  11   0.844  -4.740  -8.748
   68   1HB   TYR  11           HB2      TYR  11   0.662  -1.743  -8.448
   69   2HB   TYR  11           HB1      TYR  11  -0.500  -2.808  -7.667
   70    HD1  TYR  11           HD1      TYR  11   0.443  -4.732  -6.199
   71    HD2  TYR  11           HD2      TYR  11   2.769  -1.375  -7.517
   72    HE1  TYR  11           HE1      TYR  11   2.118  -5.198  -4.426
   73    HE2  TYR  11           HE2      TYR  11   4.440  -1.831  -5.738
   74    HH   TYR  11           HH       TYR  11   4.207  -3.144  -3.290
   75    HA   PRO  12           HA       PRO  12  -1.071  -4.494  -7.689
   76   1HB   PRO  12           HB2      PRO  12  -3.421  -5.921  -7.625
   77   2HB   PRO  12           HB1      PRO  12  -3.350  -4.158  -7.502
   78   1HG   PRO  12           HG2      PRO  12  -4.324  -5.810  -9.746
   79   2HG   PRO  12           HG1      PRO  12  -4.569  -4.082  -9.458
   80   1HD   PRO  12           HD2      PRO  12  -2.651  -5.347 -11.201
   81   2HD   PRO  12           HD1      PRO  12  -2.978  -3.649 -11.088
   82    H    LYS  13           HN       LYS  13  -0.808  -6.549  -6.529
   83    HA   LYS  13           HA       LYS  13  -0.391  -8.894  -8.334
   84   1HB   LYS  13           HB2      LYS  13   1.343  -8.864  -5.974
   85   2HB   LYS  13           HB1      LYS  13   1.755  -9.154  -7.663
   86   1HG   LYS  13           HG2      LYS  13   1.353  -6.544  -7.871
   87   2HG   LYS  13           HG1      LYS  13   1.693  -6.574  -6.141
   88   1HD   LYS  13           HD2      LYS  13   3.482  -7.498  -8.397
   89   2HD   LYS  13           HD1      LYS  13   3.805  -6.241  -7.204
   90   1HE   LYS  13           HE2      LYS  13   3.718  -8.007  -5.415
   91   2HE   LYS  13           HE1      LYS  13   3.591  -9.220  -6.690
   92   1HZ   LYS  13           HZ1      LYS  13   5.684  -8.151  -7.616
   93   2HZ   LYS  13           HZ3      LYS  13   5.844  -7.399  -6.104
   94   3HZ   LYS  13           HZ2      LYS  13   5.852  -9.095  -6.214
   95    HA   PRO  14           HA       PRO  14  -3.046 -10.749  -5.284
   96   1HB   PRO  14           HB2      PRO  14  -3.027 -13.264  -6.383
   97   2HB   PRO  14           HB1      PRO  14  -3.987 -11.921  -7.029
   98   1HG   PRO  14           HG2      PRO  14  -1.462 -13.109  -8.090
   99   2HG   PRO  14           HG1      PRO  14  -2.768 -12.290  -8.960
  100   1HD   PRO  14           HD2      PRO  14  -0.289 -11.148  -8.302
  101   2HD   PRO  14           HD1      PRO  14  -1.726 -10.258  -8.787
  102    H    ALA  15           HN       ALA  15   0.141 -10.906  -5.254
  103    HA   ALA  15           HA       ALA  15   0.204 -12.801  -2.996
  104   1HB   ALA  15           HB1      ALA  15   0.823 -13.827  -5.431
  105   2HB   ALA  15           HB3      ALA  15   2.405 -13.218  -4.942
  106   3HB   ALA  15           HB2      ALA  15   1.559 -14.389  -3.929
  107    H    CYS  16           HN       CYS  16   1.805 -12.267  -1.511
  108    HA   CYS  16           HA       CYS  16   3.855 -10.268  -2.290
  109   1HB   CYS  16           HB2      CYS  16   1.808  -9.057  -1.404
  110   2HB   CYS  16           HB1      CYS  16   2.077  -9.875   0.133
  111    H    THR  17           HN       THR  17   5.530 -10.051  -0.549
  112    HA   THR  17           HA       THR  17   6.398 -12.588   0.427
  113    HB   THR  17           HB       THR  17   8.104 -11.367   1.621
  114    HG1  THR  17           HG1      THR  17   6.890  -8.916   1.107
  115   1HG2  THR  17          HG21      THR  17   7.549 -10.968  -1.088
  116   2HG2  THR  17          HG23      THR  17   7.914  -9.359  -0.466
  117   3HG2  THR  17          HG22      THR  17   9.084 -10.665  -0.274
  118    H    LEU  18           HN       LEU  18   7.060 -11.641   3.193
  119    HA   LEU  18           HA       LEU  18   4.334 -11.696   4.382
  120   1HB   LEU  18           HB2      LEU  18   5.242 -13.326   6.106
  121   2HB   LEU  18           HB1      LEU  18   5.017 -13.989   4.490
  122    HG   LEU  18           HG       LEU  18   7.573 -13.058   4.303
  123   1HD1  LEU  18          HD13      LEU  18   6.936 -13.523   7.171
  124   2HD1  LEU  18          HD12      LEU  18   8.452 -14.206   6.584
  125   3HD1  LEU  18          HD11      LEU  18   8.154 -12.474   6.447
  126   1HD2  LEU  18          HD23      LEU  18   6.601 -15.748   5.315
  127   2HD2  LEU  18          HD22      LEU  18   6.850 -15.282   3.631
  128   3HD2  LEU  18          HD21      LEU  18   8.232 -15.447   4.715
  129    H    GLU  19           HN       GLU  19   7.514 -10.358   4.454
  130    HA   GLU  19           HA       GLU  19   7.751  -9.709   7.187
  131   1HB   GLU  19           HB2      GLU  19   9.211  -7.913   6.535
  132   2HB   GLU  19           HB1      GLU  19   9.486  -9.228   5.400
  133   1HG   GLU  19           HG2      GLU  19   7.412  -7.227   4.642
  134   2HG   GLU  19           HG1      GLU  19   9.086  -6.698   4.607
  135    H    TYR  20           HN       TYR  20   6.609  -8.362   8.450
  136    HA   TYR  20           HA       TYR  20   4.199  -7.192   7.266
  137   1HB   TYR  20           HB2      TYR  20   4.196  -8.466   9.431
  138   2HB   TYR  20           HB1      TYR  20   4.991  -7.080  10.172
  139    HD1  TYR  20           HD2      TYR  20   2.347  -7.209   7.519
  140    HD2  TYR  20           HD1      TYR  20   3.353  -6.074  11.542
  141    HE1  TYR  20           HE2      TYR  20   0.152  -6.080   7.747
  142    HE2  TYR  20           HE1      TYR  20   1.156  -4.949  11.771
  143    HH   TYR  20           HH       TYR  20  -1.390  -5.495   9.899
  144    H    ARG  21           HN       ARG  21   3.894  -5.215   6.776
  145    HA   ARG  21           HA       ARG  21   5.075  -2.941   8.155
  146   1HB   ARG  21           HB2      ARG  21   6.198  -3.911   5.580
  147   2HB   ARG  21           HB1      ARG  21   5.837  -2.185   5.648
  148   1HG   ARG  21           HG2      ARG  21   7.355  -3.549   7.869
  149   2HG   ARG  21           HG1      ARG  21   8.183  -2.946   6.433
  150   1HD   ARG  21           HD2      ARG  21   7.065  -0.708   6.855
  151   2HD   ARG  21           HD1      ARG  21   6.541  -1.351   8.411
  152    HE   ARG  21           HE       ARG  21   8.945  -1.573   9.016
  153   1HH1  ARG  21          HH11      ARG  21  11.015  -1.313   7.611
  154   2HH1  ARG  21          HH12      ARG  21  11.193   0.291   6.981
  155   1HH2  ARG  21          HH21      ARG  21   7.904   1.189   7.607
  156   2HH2  ARG  21          HH22      ARG  21   9.433   1.706   6.980
  157    HA   PRO  22           HA       PRO  22   0.859  -2.728   6.269
  158   1HB   PRO  22           HB2      PRO  22  -0.232  -1.505   8.503
  159   2HB   PRO  22           HB1      PRO  22  -0.165  -3.266   8.243
  160   1HG   PRO  22           HG2      PRO  22   1.555  -1.533   9.981
  161   2HG   PRO  22           HG1      PRO  22   1.055  -3.216  10.221
  162   1HD   PRO  22           HD2      PRO  22   3.572  -2.465   9.327
  163   2HD   PRO  22           HD1      PRO  22   2.835  -4.051   9.004
  164    H    LEU  23           HN       LEU  23   0.161  -1.025   5.058
  165    HA   LEU  23           HA       LEU  23   1.067   1.699   5.903
  166   1HB   LEU  23           HB2      LEU  23   0.539   0.774   3.067
  167   2HB   LEU  23           HB1      LEU  23   1.327   2.268   3.586
  168    HG   LEU  23           HG       LEU  23   2.614  -0.065   4.744
  169   1HD1  LEU  23          HD12      LEU  23   1.776  -1.078   2.617
  170   2HD1  LEU  23          HD11      LEU  23   2.650   0.171   1.728
  171   3HD1  LEU  23          HD13      LEU  23   3.535  -0.997   2.708
  172   1HD2  LEU  23          HD21      LEU  23   3.230   2.526   3.930
  173   2HD2  LEU  23          HD23      LEU  23   4.368   1.328   4.546
  174   3HD2  LEU  23          HD22      LEU  23   4.119   1.495   2.808
  175    H    CYS  24           HN       CYS  24  -0.657   3.010   6.380
  176    HA   CYS  24           HA       CYS  24  -3.353   2.007   5.828
  177   1HB   CYS  24           HB2      CYS  24  -2.686   3.286   7.939
  178   2HB   CYS  24           HB1      CYS  24  -2.682   4.736   6.957
  179    H    GLY  25           HN       GLY  25  -4.985   3.522   4.739
  180   1HA   GLY  25           HA2      GLY  25  -3.709   5.075   2.548
  181   2HA   GLY  25           HA1      GLY  25  -4.776   3.822   2.190
  182    H    SER  26           HN       SER  26  -5.073   6.506   1.381
  183    HA   SER  26           HA       SER  26  -6.592   8.237   2.917
  184   1HB   SER  26           HB2      SER  26  -6.058   8.989   0.756
  185   2HB   SER  26           HB1      SER  26  -6.726   7.551  -0.011
  186    HG   SER  26           HG       SER  26  -8.566   8.542  -0.089
  187    H    ASP  27           HN       ASP  27  -7.618   5.107   1.772
  188    HA   ASP  27           HA       ASP  27 -10.463   5.733   2.178
  189   1HB   ASP  27           HB2      ASP  27 -10.883   3.451   1.501
  190   2HB   ASP  27           HB1      ASP  27  -9.678   4.135   0.411
  191    H    ASN  28           HN       ASN  28  -8.500   5.896   4.454
  192    HA   ASN  28           HA       ASN  28  -8.344   5.225   6.701
  193   1HB   ASN  28           HB2      ASN  28 -10.692   6.230   6.436
  194   2HB   ASN  28           HB1      ASN  28 -11.277   4.566   6.396
  195   1HD2  ASN  28          HD22      ASN  28 -11.100   5.952   9.961
  196   2HD2  ASN  28          HD21      ASN  28 -11.710   6.640   8.534
  197    H    LYS  29           HN       LYS  29  -8.060   3.075   4.564
  198    HA   LYS  29           HA       LYS  29  -8.873   0.740   6.229
  199   1HB   LYS  29           HB2      LYS  29  -9.832   0.595   4.023
  200   2HB   LYS  29           HB1      LYS  29  -8.289   1.000   3.270
  201   1HG   LYS  29           HG2      LYS  29  -7.551  -1.121   3.395
  202   2HG   LYS  29           HG1      LYS  29  -8.084  -1.286   5.067
  203   1HD   LYS  29           HD2      LYS  29 -10.467  -1.465   4.119
  204   2HD   LYS  29           HD1      LYS  29  -9.701  -1.701   2.548
  205   1HE   LYS  29           HE2      LYS  29 -10.162  -3.875   3.572
  206   2HE   LYS  29           HE1      LYS  29  -8.419  -3.615   3.489
  207   1HZ   LYS  29           HZ2      LYS  29 -10.032  -2.945   5.883
  208   2HZ   LYS  29           HZ1      LYS  29  -9.297  -4.462   5.665
  209   3HZ   LYS  29           HZ3      LYS  29  -8.341  -3.064   5.763
  210    H    THR  30           HN       THR  30  -7.276  -0.737   6.845
  211    HA   THR  30           HA       THR  30  -4.491   0.227   6.544
  212    HB   THR  30           HB       THR  30  -5.764  -1.898   8.288
  213    HG1  THR  30           HG1      THR  30  -5.688   0.535   8.670
  214   1HG2  THR  30          HG23      THR  30  -3.492  -2.592   7.439
  215   2HG2  THR  30          HG22      THR  30  -2.831  -1.133   8.177
  216   3HG2  THR  30          HG21      THR  30  -3.566  -2.378   9.187
  217    H    TYR  31           HN       TYR  31  -2.949  -0.922   5.424
  218    HA   TYR  31           HA       TYR  31  -3.917  -3.326   3.959
  219   1HB   TYR  31           HB2      TYR  31  -1.789  -1.325   3.101
  220   2HB   TYR  31           HB1      TYR  31  -2.316  -2.707   2.211
  221    HD1  TYR  31           HD2      TYR  31  -4.910  -2.948   1.805
  222    HD2  TYR  31           HD1      TYR  31  -2.900   0.723   2.763
  223    HE1  TYR  31           HE2      TYR  31  -6.825  -1.662   0.895
  224    HE2  TYR  31           HE1      TYR  31  -4.815   2.007   1.858
  225    HH   TYR  31           HH       TYR  31  -6.843   1.904   0.974
  226    H    GLY  32           HN       GLY  32  -2.920  -5.192   4.445
  227   1HA   GLY  32           HA2      GLY  32  -1.290  -5.704   6.541
  228   2HA   GLY  32           HA1      GLY  32  -1.156  -6.660   5.073
  229    H    ASN  33           HN       ASN  33   0.025  -4.999   3.275
  230    HA   ASN  33           HA       ASN  33   2.227  -3.563   4.512
  231   1HB   ASN  33           HB2      ASN  33   4.020  -5.005   3.555
  232   2HB   ASN  33           HB1      ASN  33   3.078  -5.821   4.791
  233   1HD2  ASN  33          HD22      ASN  33   3.153  -8.361   2.218
  234   2HD2  ASN  33          HD21      ASN  33   4.071  -7.759   3.511
  235    H    LYS  34           HN       LYS  34   4.010  -3.583   2.386
  236    HA   LYS  34           HA       LYS  34   3.082  -1.563   0.762
  237   1HB   LYS  34           HB2      LYS  34   4.956  -1.969  -0.667
  238   2HB   LYS  34           HB1      LYS  34   5.451  -2.414   0.965
  239   1HG   LYS  34           HG2      LYS  34   4.790  -4.800   0.418
  240   2HG   LYS  34           HG1      LYS  34   4.589  -4.281  -1.259
  241   1HD   LYS  34           HD2      LYS  34   7.150  -3.638   0.166
  242   2HD   LYS  34           HD1      LYS  34   6.898  -5.270  -0.456
  243   1HE   LYS  34           HE2      LYS  34   7.781  -4.343  -2.360
  244   2HE   LYS  34           HE1      LYS  34   6.103  -3.861  -2.611
  245   1HZ   LYS  34           HZ2      LYS  34   6.969  -1.876  -1.065
  246   2HZ   LYS  34           HZ1      LYS  34   8.405  -2.249  -1.892
  247   3HZ   LYS  34           HZ3      LYS  34   7.012  -1.826  -2.762
  248    H    CYS  35           HN       CYS  35   3.013  -5.043  -0.162
  249    HA   CYS  35           HA       CYS  35   1.843  -4.592  -2.696
  250   1HB   CYS  35           HB2      CYS  35   1.344  -7.023  -0.982
  251   2HB   CYS  35           HB1      CYS  35   1.427  -6.923  -2.733
  252    H    ASN  36           HN       ASN  36   0.202  -5.688   0.301
  253    HA   ASN  36           HA       ASN  36  -2.427  -5.462  -0.735
  254   1HB   ASN  36           HB2      ASN  36  -1.379  -5.223   2.091
  255   2HB   ASN  36           HB1      ASN  36  -3.100  -5.233   1.701
  256   1HD2  ASN  36          HD22      ASN  36  -0.920  -8.683   1.265
  257   2HD2  ASN  36          HD21      ASN  36  -0.117  -7.194   1.404
  258    H    PHE  37           HN       PHE  37  -0.185  -2.981   0.017
  259    HA   PHE  37           HA       PHE  37  -2.210  -0.940   0.631
  260   1HB   PHE  37           HB2      PHE  37  -0.058  -0.612   1.589
  261   2HB   PHE  37           HB1      PHE  37   0.757  -0.818   0.189
  262    HD1  PHE  37           HD1      PHE  37  -2.264   1.128   0.848
  263    HD2  PHE  37           HD2      PHE  37   1.829   1.172  -0.334
  264    HE1  PHE  37           HE1      PHE  37  -2.467   3.550   0.299
  265    HE2  PHE  37           HE2      PHE  37   1.660   3.593  -0.886
  266    HZ   PHE  37           HZ       PHE  37  -0.505   4.772  -0.578
  267    H    CYS  38           HN       CYS  38   0.150  -1.354  -1.918
  268    HA   CYS  38           HA       CYS  38  -0.871   0.639  -3.653
  269   1HB   CYS  38           HB2      CYS  38   1.358  -0.157  -4.051
  270   2HB   CYS  38           HB1      CYS  38   0.797  -1.813  -4.272
  271    H    ASN  39           HN       ASN  39  -1.865  -2.731  -3.217
  272    HA   ASN  39           HA       ASN  39  -3.322  -3.015  -5.643
  273   1HB   ASN  39           HB2      ASN  39  -3.693  -4.114  -2.848
  274   2HB   ASN  39           HB1      ASN  39  -4.786  -4.531  -4.158
  275   1HD2  ASN  39          HD22      ASN  39  -1.899  -6.979  -4.017
  276   2HD2  ASN  39          HD21      ASN  39  -2.997  -6.435  -2.844
  277    H    ALA  40           HN       ALA  40  -3.859  -1.306  -2.684
  278    HA   ALA  40           HA       ALA  40  -6.651  -0.619  -3.184
  279   1HB   ALA  40           HB1      ALA  40  -5.418  -0.733  -0.911
  280   2HB   ALA  40           HB3      ALA  40  -4.719   0.824  -1.350
  281   3HB   ALA  40           HB2      ALA  40  -6.467   0.658  -1.178
  282    H    VAL  41           HN       VAL  41  -3.463   0.702  -3.801
  283    HA   VAL  41           HA       VAL  41  -4.393   3.339  -4.633
  284    HB   VAL  41           HB       VAL  41  -1.799   1.820  -5.018
  285   1HG1  VAL  41          HG13      VAL  41  -2.233   3.418  -6.894
  286   2HG1  VAL  41          HG12      VAL  41  -2.393   4.713  -5.709
  287   3HG1  VAL  41          HG11      VAL  41  -0.850   3.880  -5.904
  288   1HG2  VAL  41          HG23      VAL  41  -2.611   2.715  -2.737
  289   2HG2  VAL  41          HG22      VAL  41  -0.988   3.174  -3.258
  290   3HG2  VAL  41          HG21      VAL  41  -2.322   4.318  -3.412
  291    H    VAL  42           HN       VAL  42  -4.124   0.229  -6.100
  292    HA   VAL  42           HA       VAL  42  -4.218   1.282  -8.858
  293    HB   VAL  42           HB       VAL  42  -4.075  -1.059  -9.524
  294   1HG1  VAL  42          HG13      VAL  42  -2.265  -0.021  -7.419
  295   2HG1  VAL  42          HG12      VAL  42  -2.166  -1.754  -7.729
  296   3HG1  VAL  42          HG11      VAL  42  -1.887  -0.606  -9.039
  297   1HG2  VAL  42          HG22      VAL  42  -5.674  -1.706  -7.569
  298   2HG2  VAL  42          HG21      VAL  42  -4.453  -2.860  -8.089
  299   3HG2  VAL  42          HG23      VAL  42  -4.182  -1.884  -6.655
  300    H    GLU  43           HN       GLU  43  -6.299   0.151  -6.365
  301    HA   GLU  43           HA       GLU  43  -8.560  -0.343  -8.190
  302   1HB   GLU  43           HB2      GLU  43  -9.769  -0.712  -5.984
  303   2HB   GLU  43           HB1      GLU  43  -8.499  -1.854  -6.311
  304   1HG   GLU  43           HG2      GLU  43  -8.146  -1.256  -4.090
  305   2HG   GLU  43           HG1      GLU  43  -7.056  -0.170  -4.933
  306    H    SER  44           HN       SER  44  -7.328   2.056  -5.987
  307    HA   SER  44           HA       SER  44  -9.800   3.637  -6.106
  308   1HB   SER  44           HB2      SER  44  -8.845   5.003  -4.461
  309   2HB   SER  44           HB1      SER  44  -8.137   3.431  -4.104
  310    HG   SER  44           HG       SER  44  -6.269   4.058  -5.096
  311    H    ASN  45           HN       ASN  45  -7.858   3.098  -8.492
  312    HA   ASN  45           HA       ASN  45  -6.992   4.287 -10.294
  313   1HB   ASN  45           HB2      ASN  45  -8.378   5.982 -11.166
  314   2HB   ASN  45           HB1      ASN  45  -9.490   4.907 -10.357
  315   1HD2  ASN  45          HD22      ASN  45 -10.512   7.324  -7.987
  316   2HD2  ASN  45          HD21      ASN  45 -10.614   5.707  -8.492
  317    H    GLY  46           HN       GLY  46  -5.552   4.624  -7.937
  318   1HA   GLY  46           HA2      GLY  46  -3.953   6.001  -6.948
  319   2HA   GLY  46           HA1      GLY  46  -3.846   6.775  -8.517
  320    H    THR  47           HN       THR  47  -6.644   6.666  -6.372
  321    HA   THR  47           HA       THR  47  -6.474   9.641  -6.123
  322    HB   THR  47           HB       THR  47  -8.515   8.603  -7.295
  323    HG1  THR  47           HG1      THR  47  -9.517  10.315  -6.618
  324   1HG2  THR  47          HG22      THR  47  -8.480   6.980  -5.012
  325   2HG2  THR  47          HG21      THR  47  -9.855   8.059  -4.777
  326   3HG2  THR  47          HG23      THR  47  -9.757   7.058  -6.226
  327    H    LEU  48           HN       LEU  48  -5.876   6.816  -4.518
  328    HA   LEU  48           HA       LEU  48  -6.896   7.588  -1.890
  329   1HB   LEU  48           HB2      LEU  48  -7.001   5.289  -2.119
  330   2HB   LEU  48           HB1      LEU  48  -5.639   5.243  -3.226
  331    HG   LEU  48           HG       LEU  48  -4.686   6.087  -0.647
  332   1HD1  LEU  48          HD11      LEU  48  -6.957   4.593  -0.365
  333   2HD1  LEU  48          HD13      LEU  48  -5.691   3.366  -0.327
  334   3HD1  LEU  48          HD12      LEU  48  -5.658   4.703   0.822
  335   1HD2  LEU  48          HD21      LEU  48  -4.095   4.221  -2.775
  336   2HD2  LEU  48          HD23      LEU  48  -3.006   4.893  -1.562
  337   3HD2  LEU  48          HD22      LEU  48  -3.920   3.427  -1.210
  338    H    THR  49           HN       THR  49  -3.770   6.390  -2.847
  339    HA   THR  49           HA       THR  49  -1.611   7.220  -2.577
  340    HB   THR  49           HB       THR  49  -1.197   9.409  -2.037
  341    HG1  THR  49           HG1      THR  49  -2.275  10.525  -0.528
  342   1HG2  THR  49          HG21      THR  49  -3.393   8.911  -3.669
  343   2HG2  THR  49          HG23      THR  49  -3.873  10.272  -2.656
  344   3HG2  THR  49          HG22      THR  49  -2.408  10.374  -3.635
  345    H    LEU  50           HN       LEU  50  -0.150   7.038  -0.869
  346    HA   LEU  50           HA       LEU  50  -1.022   5.417   1.299
  347   1HB   LEU  50           HB2      LEU  50   1.233   5.215   0.551
  348   2HB   LEU  50           HB1      LEU  50   1.517   6.948   0.675
  349    HG   LEU  50           HG       LEU  50   1.119   6.668   3.205
  350   1HD1  LEU  50          HD12      LEU  50   0.894   3.900   2.211
  351   2HD1  LEU  50          HD11      LEU  50   1.987   4.094   3.582
  352   3HD1  LEU  50          HD13      LEU  50   0.305   4.605   3.716
  353   1HD2  LEU  50          HD21      LEU  50   3.396   5.976   1.501
  354   2HD2  LEU  50          HD23      LEU  50   3.331   7.012   2.926
  355   3HD2  LEU  50          HD22      LEU  50   3.492   5.265   3.112
  356    H    SER  51           HN       SER  51  -0.844   6.089   3.608
  357    HA   SER  51           HA       SER  51  -1.515   8.985   3.982
  358   1HB   SER  51           HB2      SER  51  -2.663   8.119   6.109
  359   2HB   SER  51           HB1      SER  51  -3.468   7.766   4.605
  360    HG   SER  51           HG       SER  51  -1.842   5.786   4.975
  361    H    HIS  52           HN       HIS  52  -0.068   6.132   5.332
  362    HA   HIS  52           HA       HIS  52   2.324   7.414   6.219
  363   1HB   HIS  52           HB2      HIS  52   1.975   7.382   8.642
  364   2HB   HIS  52           HB1      HIS  52   0.741   8.398   7.897
  365    HD1  HIS  52           HD1      HIS  52   0.389   6.707  10.630
  366    HD2  HIS  52           HD2      HIS  52  -1.038   5.662   6.859
  367    HE1  HIS  52           HE1      HIS  52  -1.498   5.052  10.995
  368    H    PHE  53           HN       PHE  53   3.671   5.847   7.406
  369    HA   PHE  53           HA       PHE  53   3.249   3.157   6.461
  370   1HB   PHE  53           HB2      PHE  53   5.239   4.384   8.379
  371   2HB   PHE  53           HB1      PHE  53   5.235   2.661   7.999
  372    HD1  PHE  53           HD2      PHE  53   5.440   6.054   6.479
  373    HD2  PHE  53           HD1      PHE  53   6.146   1.847   5.953
  374    HE1  PHE  53           HE2      PHE  53   6.649   6.521   4.367
  375    HE2  PHE  53           HE1      PHE  53   7.361   2.318   3.843
  376    HZ   PHE  53           HZ       PHE  53   7.612   4.654   3.049
  377    H    GLY  54           HN       GLY  54   3.391   1.289   8.154
  378   1HA   GLY  54           HA2      GLY  54   2.459   0.169  10.003
  379   2HA   GLY  54           HA1      GLY  54   2.184   1.722  10.738
  380    H    LYS  55           HN       LYS  55   0.096   0.617  11.344
  381    HA   LYS  55           HA       LYS  55  -1.887   0.562   9.143
  382   1HB   LYS  55           HB2      LYS  55  -2.601   0.046  12.026
  383   2HB   LYS  55           HB1      LYS  55  -3.341  -0.588  10.572
  384   1HG   LYS  55           HG2      LYS  55  -2.159  -2.411  11.481
  385   2HG   LYS  55           HG1      LYS  55  -1.162  -1.861  10.146
  386   1HD   LYS  55           HD2      LYS  55   0.536  -1.298  11.547
  387   2HD   LYS  55           HD1      LYS  55  -0.560  -0.518  12.689
  388   1HE   LYS  55           HE2      LYS  55  -1.246  -2.795  13.493
  389   2HE   LYS  55           HE1      LYS  55   0.002  -3.486  12.456
  390   1HZ   LYS  55           HZ3      LYS  55   1.620  -2.043  13.638
  391   2HZ   LYS  55           HZ2      LYS  55   0.386  -1.619  14.728
  392   3HZ   LYS  55           HZ1      LYS  55   0.911  -3.231  14.618
  393    H    CYS  56           HN       CYS  56  -4.154   1.544  10.341
  394    HA   CYS  56           HA       CYS  56  -3.434   4.393  10.661
  395   1HB   CYS  56           HB2      CYS  56  -5.789   2.893   9.771
  396   2HB   CYS  56           HB1      CYS  56  -6.192   4.218  10.864
   
  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           HT1      LEU   1  14.498  12.862   0.263
    2   2H    LEU   1           HT3      LEU   1  15.790  13.623  -0.531
    3   3H    LEU   1           HT2      LEU   1  15.763  13.549   1.167
    4    HA   LEU   1           HA       LEU   1  14.839  15.552   1.155
    5   1HB   LEU   1           HB2      LEU   1  15.674  15.822  -1.168
    6   2HB   LEU   1           HB1      LEU   1  14.193  15.078  -1.773
    7    HG   LEU   1           HG       LEU   1  13.074  16.969  -0.245
    8   1HD1  LEU   1          HD13      LEU   1  15.321  17.777   0.515
    9   2HD1  LEU   1          HD12      LEU   1  15.683  18.221  -1.154
   10   3HD1  LEU   1          HD11      LEU   1  14.373  19.026  -0.290
   11   1HD2  LEU   1          HD21      LEU   1  13.110  16.511  -2.843
   12   2HD2  LEU   1          HD23      LEU   1  12.589  18.083  -2.240
   13   3HD2  LEU   1          HD22      LEU   1  14.224  17.878  -2.868
   14    H    ALA   2           HN       ALA   2  13.263  14.313   2.530
   15    HA   ALA   2           HA       ALA   2  11.054  13.839   3.164
   16   1HB   ALA   2           HB1      ALA   2  10.906  16.014   1.190
   17   2HB   ALA   2           HB3      ALA   2   9.425  15.067   1.310
   18   3HB   ALA   2           HB2      ALA   2  10.090  15.850   2.744
   19    H    ALA   3           HN       ALA   3  11.676  11.602   2.318
   20    HA   ALA   3           HA       ALA   3  10.272  10.910  -0.214
   21   1HB   ALA   3           HB3      ALA   3  12.713  10.154   0.515
   22   2HB   ALA   3           HB2      ALA   3  11.821   8.903   1.380
   23   3HB   ALA   3           HB1      ALA   3  11.654   9.056  -0.369
   24    H    VAL   4           HN       VAL   4   8.100  10.933   0.546
   25    HA   VAL   4           HA       VAL   4   7.450   8.667   2.381
   26    HB   VAL   4           HB       VAL   4   5.826  11.201   2.401
   27   1HG1  VAL   4          HG12      VAL   4   6.394   9.036   4.449
   28   2HG1  VAL   4          HG11      VAL   4   5.307  10.404   4.683
   29   3HG1  VAL   4          HG13      VAL   4   4.930   9.175   3.477
   30   1HG2  VAL   4          HG23      VAL   4   8.271  11.735   2.831
   31   2HG2  VAL   4          HG22      VAL   4   7.188  12.110   4.172
   32   3HG2  VAL   4          HG21      VAL   4   8.186  10.656   4.224
   33    H    SER   5           HN       SER   5   7.117   7.641   0.199
   34    HA   SER   5           HA       SER   5   4.296   7.875  -0.562
   35   1HB   SER   5           HB2      SER   5   4.861   9.468  -2.138
   36   2HB   SER   5           HB1      SER   5   6.520   8.892  -2.280
   37    HG   SER   5           HG       SER   5   5.554   8.212  -4.109
   38    H    VAL   6           HN       VAL   6   3.636   6.049  -1.926
   39    HA   VAL   6           HA       VAL   6   5.634   3.829  -1.838
   40    HB   VAL   6           HB       VAL   6   2.612   3.741  -1.645
   41   1HG1  VAL   6          HG13      VAL   6   3.581   1.881  -3.020
   42   2HG1  VAL   6          HG12      VAL   6   4.591   1.442  -1.642
   43   3HG1  VAL   6          HG11      VAL   6   2.836   1.321  -1.523
   44   1HG2  VAL   6          HG22      VAL   6   4.872   3.087   0.269
   45   2HG2  VAL   6          HG21      VAL   6   3.642   4.337   0.461
   46   3HG2  VAL   6          HG23      VAL   6   3.193   2.635   0.557
   47    H    ASP   7           HN       ASP   7   5.914   2.592  -3.711
   48    HA   ASP   7           HA       ASP   7   4.739   3.756  -6.184
   49   1HB   ASP   7           HB2      ASP   7   7.138   3.531  -6.275
   50   2HB   ASP   7           HB1      ASP   7   7.059   1.865  -5.700
   51    H    CYS   8           HN       CYS   8   3.056   2.698  -7.151
   52    HA   CYS   8           HA       CYS   8   2.808  -0.234  -6.684
   53   1HB   CYS   8           HB2      CYS   8   0.459   1.671  -6.649
   54   2HB   CYS   8           HB1      CYS   8   0.478  -0.030  -6.192
   55    H    SER   9           HN       SER   9   3.912   0.814  -8.995
   56    HA   SER   9           HA       SER   9   1.768   1.002 -11.018
   57   1HB   SER   9           HB2      SER   9   3.428   2.412 -11.738
   58   2HB   SER   9           HB1      SER   9   4.697   1.494 -10.932
   59    HG   SER   9           HG       SER   9   3.335   0.844 -13.337
   60    H    GLU  10           HN       GLU  10   3.240  -1.477  -9.401
   61    HA   GLU  10           HA       GLU  10   3.036  -3.292 -11.771
   62   1HB   GLU  10           HB2      GLU  10   4.615  -3.885  -9.263
   63   2HB   GLU  10           HB1      GLU  10   4.745  -4.657 -10.843
   64   1HG   GLU  10           HG2      GLU  10   6.394  -3.202 -11.335
   65   2HG   GLU  10           HG1      GLU  10   5.181  -1.922 -11.323
   66    H    TYR  11           HN       TYR  11   0.800  -2.498 -10.091
   67    HA   TYR  11           HA       TYR  11   0.201  -5.096  -8.806
   68   1HB   TYR  11           HB2      TYR  11  -0.656  -2.295  -8.030
   69   2HB   TYR  11           HB1      TYR  11  -1.320  -3.754  -7.300
   70    HD1  TYR  11           HD2      TYR  11   1.720  -1.702  -7.726
   71    HD2  TYR  11           HD1      TYR  11   0.006  -5.123  -5.775
   72    HE1  TYR  11           HE2      TYR  11   3.684  -1.826  -6.223
   73    HE2  TYR  11           HE1      TYR  11   1.979  -5.247  -4.265
   74    HH   TYR  11           HH       TYR  11   3.832  -4.189  -3.577
   75    HA   PRO  12           HA       PRO  12  -1.805  -5.485  -7.702
   76   1HB   PRO  12           HB2      PRO  12  -3.263  -7.774  -8.188
   77   2HB   PRO  12           HB1      PRO  12  -3.997  -6.228  -7.725
   78   1HG   PRO  12           HG2      PRO  12  -3.904  -7.532 -10.414
   79   2HG   PRO  12           HG1      PRO  12  -5.118  -6.427  -9.745
   80   1HD   PRO  12           HD2      PRO  12  -3.080  -5.702 -11.546
   81   2HD   PRO  12           HD1      PRO  12  -4.049  -4.597 -10.605
   82    H    LYS  13           HN       LYS  13  -0.911  -7.639  -6.959
   83    HA   LYS  13           HA       LYS  13   0.923  -8.770  -9.036
   84   1HB   LYS  13           HB2      LYS  13   1.368  -7.740  -6.346
   85   2HB   LYS  13           HB1      LYS  13   1.956  -9.391  -6.515
   86   1HG   LYS  13           HG2      LYS  13   3.211  -8.724  -8.546
   87   2HG   LYS  13           HG1      LYS  13   2.650  -7.065  -8.330
   88   1HD   LYS  13           HD2      LYS  13   3.665  -7.647  -5.842
   89   2HD   LYS  13           HD1      LYS  13   4.764  -8.530  -6.896
   90   1HE   LYS  13           HE2      LYS  13   4.013  -5.666  -7.469
   91   2HE   LYS  13           HE1      LYS  13   5.343  -6.067  -6.380
   92   1HZ   LYS  13           HZ2      LYS  13   5.320  -7.481  -8.911
   93   2HZ   LYS  13           HZ1      LYS  13   5.620  -5.813  -9.015
   94   3HZ   LYS  13           HZ3      LYS  13   6.619  -6.795  -8.059
   95    HA   PRO  14           HA       PRO  14  -1.099 -12.604  -8.156
   96   1HB   PRO  14           HB2      PRO  14   0.714 -14.239  -9.424
   97   2HB   PRO  14           HB1      PRO  14  -0.492 -13.260 -10.277
   98   1HG   PRO  14           HG2      PRO  14   2.443 -12.818 -10.018
   99   2HG   PRO  14           HG1      PRO  14   1.337 -12.277 -11.291
  100   1HD   PRO  14           HD2      PRO  14   2.366 -10.681  -9.213
  101   2HD   PRO  14           HD1      PRO  14   1.019 -10.258 -10.246
  102    H    ALA  15           HN       ALA  15   1.363 -11.465  -6.501
  103    HA   ALA  15           HA       ALA  15   1.400 -13.571  -4.546
  104   1HB   ALA  15           HB2      ALA  15   2.969 -14.447  -6.376
  105   2HB   ALA  15           HB1      ALA  15   4.045 -13.119  -5.939
  106   3HB   ALA  15           HB3      ALA  15   3.643 -14.355  -4.749
  107    H    CYS  16           HN       CYS  16   1.247 -12.188  -2.854
  108    HA   CYS  16           HA       CYS  16   2.800  -9.665  -2.910
  109   1HB   CYS  16           HB2      CYS  16   0.621 -10.670  -1.061
  110   2HB   CYS  16           HB1      CYS  16   1.464  -9.140  -0.837
  111    H    THR  17           HN       THR  17   4.433  -9.222  -1.475
  112    HA   THR  17           HA       THR  17   6.006 -11.290  -0.399
  113    HB   THR  17           HB       THR  17   6.697  -9.271   1.239
  114    HG1  THR  17           HG1      THR  17   4.798  -8.108   0.450
  115   1HG2  THR  17          HG23      THR  17   7.813 -10.372  -0.891
  116   2HG2  THR  17          HG22      THR  17   7.303  -8.873  -1.668
  117   3HG2  THR  17          HG21      THR  17   8.392  -8.823  -0.281
  118    H    LEU  18           HN       LEU  18   6.477 -10.960   2.257
  119    HA   LEU  18           HA       LEU  18   3.800 -11.308   3.525
  120   1HB   LEU  18           HB2      LEU  18   4.872 -13.099   4.972
  121   2HB   LEU  18           HB1      LEU  18   4.630 -13.539   3.283
  122    HG   LEU  18           HG       LEU  18   7.107 -12.497   3.094
  123   1HD1  LEU  18          HD12      LEU  18   6.615 -12.904   5.942
  124   2HD1  LEU  18          HD11      LEU  18   8.000 -13.834   5.370
  125   3HD1  LEU  18          HD13      LEU  18   7.958 -12.084   5.147
  126   1HD2  LEU  18          HD23      LEU  18   6.135 -14.864   2.601
  127   2HD2  LEU  18          HD22      LEU  18   7.865 -14.722   2.914
  128   3HD2  LEU  18          HD21      LEU  18   6.783 -15.287   4.187
  129    H    GLU  19           HN       GLU  19   7.063 -10.077   3.798
  130    HA   GLU  19           HA       GLU  19   7.341  -9.618   6.512
  131   1HB   GLU  19           HB2      GLU  19   8.627  -7.614   5.949
  132   2HB   GLU  19           HB1      GLU  19   9.009  -8.899   4.805
  133   1HG   GLU  19           HG2      GLU  19   6.768  -7.084   4.068
  134   2HG   GLU  19           HG1      GLU  19   8.389  -6.403   4.020
  135    H    TYR  20           HN       TYR  20   6.286  -8.372   7.962
  136    HA   TYR  20           HA       TYR  20   3.780  -7.150   7.048
  137   1HB   TYR  20           HB2      TYR  20   3.907  -8.575   9.101
  138   2HB   TYR  20           HB1      TYR  20   4.802  -7.276   9.888
  139    HD1  TYR  20           HD2      TYR  20   1.806  -7.481   7.626
  140    HD2  TYR  20           HD1      TYR  20   3.462  -5.988  11.297
  141    HE1  TYR  20           HE2      TYR  20  -0.337  -6.326   8.117
  142    HE2  TYR  20           HE1      TYR  20   1.324  -4.832  11.791
  143    HH   TYR  20           HH       TYR  20  -1.354  -4.842   9.461
  144    H    ARG  21           HN       ARG  21   3.471  -5.144   6.699
  145    HA   ARG  21           HA       ARG  21   4.729  -2.964   8.160
  146   1HB   ARG  21           HB2      ARG  21   5.487  -3.540   5.282
  147   2HB   ARG  21           HB1      ARG  21   5.580  -1.913   5.957
  148   1HG   ARG  21           HG2      ARG  21   6.952  -2.986   7.864
  149   2HG   ARG  21           HG1      ARG  21   7.118  -4.375   6.789
  150   1HD   ARG  21           HD2      ARG  21   7.666  -2.069   5.230
  151   2HD   ARG  21           HD1      ARG  21   8.561  -1.885   6.737
  152    HE   ARG  21           HE       ARG  21   9.261  -3.687   4.649
  153   1HH1  ARG  21          HH11      ARG  21   9.283  -3.165   8.034
  154   2HH1  ARG  21          HH12      ARG  21  10.224  -4.576   8.390
  155   1HH2  ARG  21          HH21      ARG  21  10.293  -5.687   5.106
  156   2HH2  ARG  21          HH22      ARG  21  10.794  -6.003   6.734
  157    HA   PRO  22           HA       PRO  22   0.453  -2.568   6.603
  158   1HB   PRO  22           HB2      PRO  22  -0.430  -1.239   8.867
  159   2HB   PRO  22           HB1      PRO  22  -0.434  -3.006   8.661
  160   1HG   PRO  22           HG2      PRO  22   1.469  -1.284  10.208
  161   2HG   PRO  22           HG1      PRO  22   0.943  -2.946  10.529
  162   1HD   PRO  22           HD2      PRO  22   3.401  -2.285   9.410
  163   2HD   PRO  22           HD1      PRO  22   2.604  -3.861   9.209
  164    H    LEU  23           HN       LEU  23  -0.069  -0.954   5.224
  165    HA   LEU  23           HA       LEU  23   0.985   1.778   5.873
  166   1HB   LEU  23           HB2      LEU  23   0.065   0.773   3.170
  167   2HB   LEU  23           HB1      LEU  23   1.018   2.219   3.518
  168    HG   LEU  23           HG       LEU  23   2.327  -0.068   4.665
  169   1HD1  LEU  23          HD13      LEU  23   1.544  -0.289   1.750
  170   2HD1  LEU  23          HD12      LEU  23   2.876  -1.194   2.471
  171   3HD1  LEU  23          HD11      LEU  23   1.226  -1.452   3.035
  172   1HD2  LEU  23          HD23      LEU  23   2.864   2.264   3.022
  173   2HD2  LEU  23          HD22      LEU  23   3.942   1.406   4.123
  174   3HD2  LEU  23          HD21      LEU  23   3.775   0.866   2.452
  175    H    CYS  24           HN       CYS  24  -0.514   3.444   6.082
  176    HA   CYS  24           HA       CYS  24  -3.360   2.598   5.891
  177   1HB   CYS  24           HB2      CYS  24  -1.865   4.223   7.775
  178   2HB   CYS  24           HB1      CYS  24  -3.271   5.088   7.184
  179    H    GLY  25           HN       GLY  25  -4.547   3.306   4.279
  180   1HA   GLY  25           HA2      GLY  25  -3.713   5.083   2.211
  181   2HA   GLY  25           HA1      GLY  25  -5.302   4.573   2.515
  182    H    SER  26           HN       SER  26  -5.738   6.862   1.790
  183    HA   SER  26           HA       SER  26  -5.281   8.883   3.905
  184   1HB   SER  26           HB2      SER  26  -6.860  10.122   2.047
  185   2HB   SER  26           HB1      SER  26  -5.108  10.068   1.958
  186    HG   SER  26           HG       SER  26  -6.921   8.200   0.819
  187    H    ASP  27           HN       ASP  27  -7.775   6.778   2.686
  188    HA   ASP  27           HA       ASP  27  -9.961   8.172   4.043
  189   1HB   ASP  27           HB2      ASP  27 -11.311   6.238   3.375
  190   2HB   ASP  27           HB1      ASP  27 -10.340   6.787   2.007
  191    H    ASN  28           HN       ASN  28  -7.393   6.391   5.133
  192    HA   ASN  28           HA       ASN  28  -6.944   5.705   7.338
  193   1HB   ASN  28           HB2      ASN  28  -9.898   5.709   7.929
  194   2HB   ASN  28           HB1      ASN  28  -8.547   5.914   9.043
  195   1HD2  ASN  28          HD22      ASN  28  -7.978   9.354   8.076
  196   2HD2  ASN  28          HD21      ASN  28  -7.142   7.957   8.555
  197    H    LYS  29           HN       LYS  29  -7.090   3.892   5.263
  198    HA   LYS  29           HA       LYS  29  -8.391   1.559   6.603
  199   1HB   LYS  29           HB2      LYS  29  -8.664   0.545   4.350
  200   2HB   LYS  29           HB1      LYS  29  -9.528   2.060   4.495
  201   1HG   LYS  29           HG2      LYS  29  -7.659   3.231   3.395
  202   2HG   LYS  29           HG1      LYS  29  -6.793   1.699   3.283
  203   1HD   LYS  29           HD2      LYS  29  -9.360   2.479   1.885
  204   2HD   LYS  29           HD1      LYS  29  -7.827   2.016   1.147
  205   1HE   LYS  29           HE2      LYS  29  -8.069  -0.260   2.098
  206   2HE   LYS  29           HE1      LYS  29  -9.622   0.207   2.790
  207   1HZ   LYS  29           HZ3      LYS  29 -10.236   0.844   0.422
  208   2HZ   LYS  29           HZ2      LYS  29  -8.886  -0.069  -0.057
  209   3HZ   LYS  29           HZ1      LYS  29 -10.161  -0.810   0.786
  210    H    THR  30           HN       THR  30  -6.869   0.345   7.427
  211    HA   THR  30           HA       THR  30  -4.079   0.568   6.678
  212    HB   THR  30           HB       THR  30  -5.510  -1.369   8.516
  213    HG1  THR  30           HG1      THR  30  -4.597  -0.031  10.098
  214   1HG2  THR  30          HG21      THR  30  -2.580  -0.981   7.880
  215   2HG2  THR  30          HG23      THR  30  -3.120  -1.707   9.393
  216   3HG2  THR  30          HG22      THR  30  -3.508  -2.480   7.856
  217    H    TYR  31           HN       TYR  31  -2.763  -1.095   5.820
  218    HA   TYR  31           HA       TYR  31  -4.176  -3.321   4.457
  219   1HB   TYR  31           HB2      TYR  31  -2.548  -1.157   3.199
  220   2HB   TYR  31           HB1      TYR  31  -2.218  -2.793   2.679
  221    HD1  TYR  31           HD2      TYR  31  -4.361  -4.282   2.195
  222    HD2  TYR  31           HD1      TYR  31  -4.339   0.004   2.232
  223    HE1  TYR  31           HE2      TYR  31  -6.442  -4.266   0.849
  224    HE2  TYR  31           HE1      TYR  31  -6.421   0.027   0.890
  225    HH   TYR  31           HH       TYR  31  -7.569  -1.572  -0.749
  226    H    GLY  32           HN       GLY  32  -2.843  -5.260   4.356
  227   1HA   GLY  32           HA2      GLY  32  -1.218  -5.581   6.622
  228   2HA   GLY  32           HA1      GLY  32  -1.243  -6.710   5.288
  229    H    ASN  33           HN       ASN  33  -0.200  -4.818   3.304
  230    HA   ASN  33           HA       ASN  33   2.301  -3.805   4.375
  231   1HB   ASN  33           HB2      ASN  33   3.796  -5.331   3.129
  232   2HB   ASN  33           HB1      ASN  33   2.869  -6.172   4.363
  233   1HD2  ASN  33          HD22      ASN  33   2.644  -8.120   1.178
  234   2HD2  ASN  33          HD21      ASN  33   3.918  -7.616   2.178
  235    H    LYS  34           HN       LYS  34   3.840  -3.788   2.088
  236    HA   LYS  34           HA       LYS  34   2.692  -1.624   0.661
  237   1HB   LYS  34           HB2      LYS  34   4.610  -1.766  -0.781
  238   2HB   LYS  34           HB1      LYS  34   5.158  -2.233   0.830
  239   1HG   LYS  34           HG2      LYS  34   5.001  -4.597   0.257
  240   2HG   LYS  34           HG1      LYS  34   4.290  -4.200  -1.308
  241   1HD   LYS  34           HD2      LYS  34   6.998  -3.132  -0.514
  242   2HD   LYS  34           HD1      LYS  34   6.820  -4.720  -1.262
  243   1HE   LYS  34           HE2      LYS  34   6.406  -3.829  -3.303
  244   2HE   LYS  34           HE1      LYS  34   5.295  -2.630  -2.641
  245   1HZ   LYS  34           HZ1      LYS  34   7.351  -1.457  -1.806
  246   2HZ   LYS  34           HZ3      LYS  34   8.246  -2.486  -2.816
  247   3HZ   LYS  34           HZ2      LYS  34   7.100  -1.426  -3.485
  248    H    CYS  35           HN       CYS  35   2.376  -5.070   0.174
  249    HA   CYS  35           HA       CYS  35   1.463  -4.778  -2.576
  250   1HB   CYS  35           HB2      CYS  35   2.578  -6.860  -1.499
  251   2HB   CYS  35           HB1      CYS  35   0.971  -7.197  -0.858
  252    H    ASN  36           HN       ASN  36  -0.056  -5.460   0.572
  253    HA   ASN  36           HA       ASN  36  -2.725  -5.581  -0.500
  254   1HB   ASN  36           HB2      ASN  36  -2.313  -4.588   2.290
  255   2HB   ASN  36           HB1      ASN  36  -3.440  -5.798   1.685
  256   1HD2  ASN  36          HD22      ASN  36  -0.392  -8.084   1.442
  257   2HD2  ASN  36          HD21      ASN  36  -1.268  -7.271   0.248
  258    H    PHE  37           HN       PHE  37  -0.605  -2.970   0.450
  259    HA   PHE  37           HA       PHE  37  -2.718  -0.944   0.449
  260   1HB   PHE  37           HB2      PHE  37  -0.569  -0.771   1.759
  261   2HB   PHE  37           HB1      PHE  37   0.275  -0.468   0.361
  262    HD1  PHE  37           HD1      PHE  37  -2.694   0.854   2.144
  263    HD2  PHE  37           HD2      PHE  37   0.525   1.504  -0.566
  264    HE1  PHE  37           HE1      PHE  37  -3.310   3.254   2.011
  265    HE2  PHE  37           HE2      PHE  37  -0.047   3.929  -0.693
  266    HZ   PHE  37           HZ       PHE  37  -1.976   4.802   0.604
  267    H    CYS  38           HN       CYS  38  -0.063  -1.885  -1.584
  268    HA   CYS  38           HA       CYS  38  -0.485   0.081  -3.628
  269   1HB   CYS  38           HB2      CYS  38   1.046  -2.491  -3.494
  270   2HB   CYS  38           HB1      CYS  38   0.761  -1.744  -5.059
  271    H    ASN  39           HN       ASN  39  -1.970  -3.017  -2.992
  272    HA   ASN  39           HA       ASN  39  -3.092  -3.348  -5.634
  273   1HB   ASN  39           HB2      ASN  39  -3.345  -4.626  -2.988
  274   2HB   ASN  39           HB1      ASN  39  -4.821  -4.645  -3.940
  275   1HD2  ASN  39          HD22      ASN  39  -1.594  -6.714  -5.268
  276   2HD2  ASN  39          HD21      ASN  39  -1.379  -5.520  -4.095
  277    H    ALA  40           HN       ALA  40  -4.038  -1.720  -2.671
  278    HA   ALA  40           HA       ALA  40  -6.700  -1.000  -3.611
  279   1HB   ALA  40           HB2      ALA  40  -5.743  -1.119  -1.158
  280   2HB   ALA  40           HB1      ALA  40  -5.196   0.522  -1.496
  281   3HB   ALA  40           HB3      ALA  40  -6.914   0.133  -1.569
  282    H    VAL  41           HN       VAL  41  -3.485   0.156  -4.015
  283    HA   VAL  41           HA       VAL  41  -4.259   2.882  -4.779
  284    HB   VAL  41           HB       VAL  41  -1.648   1.350  -4.871
  285   1HG1  VAL  41          HG12      VAL  41  -1.763   2.977  -6.734
  286   2HG1  VAL  41          HG11      VAL  41  -2.165   4.253  -5.584
  287   3HG1  VAL  41          HG13      VAL  41  -0.587   3.469  -5.516
  288   1HG2  VAL  41          HG22      VAL  41  -2.709   3.611  -3.153
  289   2HG2  VAL  41          HG21      VAL  41  -2.325   1.970  -2.630
  290   3HG2  VAL  41          HG23      VAL  41  -1.033   3.062  -3.131
  291    H    VAL  42           HN       VAL  42  -3.407  -0.153  -6.392
  292    HA   VAL  42           HA       VAL  42  -3.475   1.134  -9.022
  293    HB   VAL  42           HB       VAL  42  -1.756  -0.536  -8.616
  294   1HG1  VAL  42          HG11      VAL  42  -4.039  -2.024  -7.492
  295   2HG1  VAL  42          HG13      VAL  42  -2.959  -2.993  -8.495
  296   3HG1  VAL  42          HG12      VAL  42  -2.326  -2.125  -7.099
  297   1HG2  VAL  42          HG21      VAL  42  -3.525  -0.514 -10.746
  298   2HG2  VAL  42          HG23      VAL  42  -1.961  -1.326 -10.707
  299   3HG2  VAL  42          HG22      VAL  42  -3.428  -2.220 -10.303
  300    H    GLU  43           HN       GLU  43  -5.642  -0.475  -6.890
  301    HA   GLU  43           HA       GLU  43  -7.444  -1.287  -9.088
  302   1HB   GLU  43           HB2      GLU  43  -6.986  -2.415  -6.652
  303   2HB   GLU  43           HB1      GLU  43  -8.392  -1.429  -6.283
  304   1HG   GLU  43           HG2      GLU  43  -8.374  -3.109  -8.764
  305   2HG   GLU  43           HG1      GLU  43  -8.739  -3.851  -7.206
  306    H    SER  44           HN       SER  44  -6.858   1.314  -6.919
  307    HA   SER  44           HA       SER  44  -9.582   2.423  -7.371
  308   1HB   SER  44           HB2      SER  44  -9.235   3.760  -5.490
  309   2HB   SER  44           HB1      SER  44  -8.272   2.347  -5.076
  310    HG   SER  44           HG       SER  44  -7.169   4.383  -4.832
  311    H    ASN  45           HN       ASN  45  -7.292   2.276  -9.392
  312    HA   ASN  45           HA       ASN  45  -6.511   3.632 -11.114
  313   1HB   ASN  45           HB2      ASN  45  -8.782   5.212  -9.987
  314   2HB   ASN  45           HB1      ASN  45  -7.591   6.073 -10.939
  315   1HD2  ASN  45          HD22      ASN  45  -8.973   2.922 -13.092
  316   2HD2  ASN  45          HD21      ASN  45  -8.161   2.681 -11.621
  317    H    GLY  46           HN       GLY  46  -5.682   3.818  -8.067
  318   1HA   GLY  46           HA2      GLY  46  -3.754   4.736  -7.078
  319   2HA   GLY  46           HA1      GLY  46  -3.460   5.644  -8.556
  320    H    THR  47           HN       THR  47  -6.606   5.898  -7.160
  321    HA   THR  47           HA       THR  47  -6.127   8.743  -6.594
  322    HB   THR  47           HB       THR  47  -8.503   8.915  -6.342
  323    HG1  THR  47           HG1      THR  47  -9.490   7.363  -5.370
  324   1HG2  THR  47          HG22      THR  47  -7.337   7.541  -8.582
  325   2HG2  THR  47          HG21      THR  47  -8.974   6.938  -8.319
  326   3HG2  THR  47          HG23      THR  47  -8.698   8.662  -8.565
  327    H    LEU  48           HN       LEU  48  -5.965   5.804  -4.893
  328    HA   LEU  48           HA       LEU  48  -6.728   6.840  -2.282
  329   1HB   LEU  48           HB2      LEU  48  -7.087   4.559  -2.377
  330   2HB   LEU  48           HB1      LEU  48  -5.733   4.289  -3.463
  331    HG   LEU  48           HG       LEU  48  -4.201   4.799  -1.469
  332   1HD1  LEU  48          HD13      LEU  48  -6.254   5.822  -0.237
  333   2HD1  LEU  48          HD12      LEU  48  -6.600   4.147   0.197
  334   3HD1  LEU  48          HD11      LEU  48  -5.073   4.888   0.679
  335   1HD2  LEU  48          HD21      LEU  48  -4.713   2.526  -2.367
  336   2HD2  LEU  48          HD23      LEU  48  -4.418   2.526  -0.628
  337   3HD2  LEU  48          HD22      LEU  48  -6.068   2.425  -1.243
  338    H    THR  49           HN       THR  49  -5.322   7.705  -0.779
  339    HA   THR  49           HA       THR  49  -2.411   7.572  -1.360
  340    HB   THR  49           HB       THR  49  -2.090   9.845  -1.074
  341    HG1  THR  49           HG1      THR  49  -3.172  10.613   0.563
  342   1HG2  THR  49          HG22      THR  49  -3.314   9.197  -3.150
  343   2HG2  THR  49          HG21      THR  49  -4.810   9.678  -2.347
  344   3HG2  THR  49          HG23      THR  49  -3.556  10.877  -2.669
  345    H    LEU  50           HN       LEU  50  -1.400   6.868   0.301
  346    HA   LEU  50           HA       LEU  50  -2.646   6.509   2.895
  347   1HB   LEU  50           HB2      LEU  50  -1.148   4.819   2.701
  348   2HB   LEU  50           HB1      LEU  50  -0.230   5.665   1.466
  349    HG   LEU  50           HG       LEU  50   0.068   6.674   4.249
  350   1HD1  LEU  50          HD11      LEU  50   0.006   4.218   4.505
  351   2HD1  LEU  50          HD13      LEU  50   1.269   4.074   3.285
  352   3HD1  LEU  50          HD12      LEU  50   1.613   4.872   4.819
  353   1HD2  LEU  50          HD22      LEU  50   1.425   6.794   1.720
  354   2HD2  LEU  50          HD21      LEU  50   1.825   7.648   3.209
  355   3HD2  LEU  50          HD23      LEU  50   2.507   6.053   2.899
  356    H    SER  51           HN       SER  51  -1.956   7.461   4.861
  357    HA   SER  51           HA       SER  51  -0.919  10.237   4.513
  358   1HB   SER  51           HB2      SER  51  -3.197   9.412   5.767
  359   2HB   SER  51           HB1      SER  51  -2.075   9.361   7.093
  360    HG   SER  51           HG       SER  51  -1.921  11.466   7.062
  361    H    HIS  52           HN       HIS  52  -0.323   7.161   5.989
  362    HA   HIS  52           HA       HIS  52   2.347   7.995   6.828
  363   1HB   HIS  52           HB2      HIS  52   1.975   7.529   9.214
  364   2HB   HIS  52           HB1      HIS  52   0.927   8.842   8.675
  365    HD1  HIS  52           HD1      HIS  52   0.555   6.271  10.872
  366    HD2  HIS  52           HD2      HIS  52  -1.551   7.113   7.364
  367    HE1  HIS  52           HE1      HIS  52  -1.643   5.030  11.024
  368    H    PHE  53           HN       PHE  53   3.564   6.156   7.643
  369    HA   PHE  53           HA       PHE  53   2.749   3.632   6.432
  370   1HB   PHE  53           HB2      PHE  53   5.125   4.437   8.136
  371   2HB   PHE  53           HB1      PHE  53   4.902   2.809   7.496
  372    HD1  PHE  53           HD2      PHE  53   5.253   6.386   6.528
  373    HD2  PHE  53           HD1      PHE  53   5.395   2.296   5.221
  374    HE1  PHE  53           HE2      PHE  53   6.198   7.113   4.355
  375    HE2  PHE  53           HE1      PHE  53   6.342   3.023   3.049
  376    HZ   PHE  53           HZ       PHE  53   6.744   5.432   2.613
  377    H    GLY  54           HN       GLY  54   3.094   1.602   7.974
  378   1HA   GLY  54           HA2      GLY  54   2.456   0.419   9.909
  379   2HA   GLY  54           HA1      GLY  54   2.298   1.944  10.738
  380    H    LYS  55           HN       LYS  55   0.325   0.798  11.605
  381    HA   LYS  55           HA       LYS  55  -1.975   0.734   9.746
  382   1HB   LYS  55           HB2      LYS  55  -2.344   0.293  12.672
  383   2HB   LYS  55           HB1      LYS  55  -3.056  -0.568  11.310
  384   1HG   LYS  55           HG2      LYS  55  -0.607  -1.398  10.891
  385   2HG   LYS  55           HG1      LYS  55  -0.360  -0.947  12.579
  386   1HD   LYS  55           HD2      LYS  55  -2.527  -2.815  11.575
  387   2HD   LYS  55           HD1      LYS  55  -1.031  -3.325  12.359
  388   1HE   LYS  55           HE2      LYS  55  -1.785  -1.691  14.264
  389   2HE   LYS  55           HE1      LYS  55  -3.383  -1.868  13.539
  390   1HZ   LYS  55           HZ1      LYS  55  -1.705  -4.204  14.232
  391   2HZ   LYS  55           HZ3      LYS  55  -2.765  -3.498  15.352
  392   3HZ   LYS  55           HZ2      LYS  55  -3.373  -4.162  13.912
  393    H    CYS  56           HN       CYS  56  -4.030   1.811  10.601
  394    HA   CYS  56           HA       CYS  56  -3.464   4.615  11.054
  395   1HB   CYS  56           HB2      CYS  56  -5.990   2.981  10.860
  396   2HB   CYS  56           HB1      CYS  56  -6.037   4.690  11.299
   
  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           HT1      LEU   1  12.750  17.438   3.410
    2   2H    LEU   1           HT3      LEU   1  14.396  17.088   3.200
    3   3H    LEU   1           HT2      LEU   1  13.640  18.238   2.203
    4    HA   LEU   1           HA       LEU   1  12.385  16.620   1.077
    5   1HB   LEU   1           HB2      LEU   1  14.890  16.801   0.585
    6   2HB   LEU   1           HB1      LEU   1  15.080  15.325   1.533
    7    HG   LEU   1           HG       LEU   1  13.383  14.225   0.039
    8   1HD1  LEU   1          HD12      LEU   1  12.843  16.825  -0.744
    9   2HD1  LEU   1          HD11      LEU   1  13.773  16.194  -2.103
   10   3HD1  LEU   1          HD13      LEU   1  12.299  15.374  -1.586
   11   1HD2  LEU   1          HD23      LEU   1  16.075  14.589  -0.333
   12   2HD2  LEU   1          HD22      LEU   1  15.073  13.531  -1.326
   13   3HD2  LEU   1          HD21      LEU   1  15.432  15.170  -1.870
   14    H    ALA   2           HN       ALA   2  11.096  14.841   1.294
   15    HA   ALA   2           HA       ALA   2  11.821  12.798   3.335
   16   1HB   ALA   2           HB3      ALA   2   9.121  14.168   3.113
   17   2HB   ALA   2           HB2      ALA   2   9.475  12.789   4.154
   18   3HB   ALA   2           HB1      ALA   2  10.264  14.340   4.447
   19    H    ALA   3           HN       ALA   3   9.543  11.213   3.079
   20    HA   ALA   3           HA       ALA   3   8.935  10.809   0.246
   21   1HB   ALA   3           HB1      ALA   3  10.819   8.978   1.736
   22   2HB   ALA   3           HB3      ALA   3   9.866   8.404   0.368
   23   3HB   ALA   3           HB2      ALA   3  11.033   9.708   0.145
   24    H    VAL   4           HN       VAL   4   6.992   9.728   0.063
   25    HA   VAL   4           HA       VAL   4   6.069   7.966   2.231
   26    HB   VAL   4           HB       VAL   4   5.351  10.057   3.162
   27   1HG1  VAL   4          HG13      VAL   4   4.932  10.715   0.318
   28   2HG1  VAL   4          HG12      VAL   4   3.660  11.301   1.388
   29   3HG1  VAL   4          HG11      VAL   4   5.335  11.774   1.670
   30   1HG2  VAL   4          HG21      VAL   4   3.651   8.076   2.772
   31   2HG2  VAL   4          HG23      VAL   4   3.067   9.625   3.380
   32   3HG2  VAL   4          HG22      VAL   4   2.878   9.220   1.674
   33    H    SER   5           HN       SER   5   6.278   6.585   0.245
   34    HA   SER   5           HA       SER   5   3.697   6.194  -0.988
   35   1HB   SER   5           HB2      SER   5   4.151   7.935  -2.500
   36   2HB   SER   5           HB1      SER   5   5.871   7.562  -2.559
   37    HG   SER   5           HG       SER   5   3.952   6.716  -4.170
   38    H    VAL   6           HN       VAL   6   3.581   4.102  -1.835
   39    HA   VAL   6           HA       VAL   6   6.108   2.529  -1.650
   40    HB   VAL   6           HB       VAL   6   4.063   1.905  -0.236
   41   1HG1  VAL   6          HG11      VAL   6   3.087   1.032  -2.972
   42   2HG1  VAL   6          HG13      VAL   6   2.335   0.583  -1.441
   43   3HG1  VAL   6          HG12      VAL   6   2.354   2.270  -1.954
   44   1HG2  VAL   6          HG22      VAL   6   6.056   0.395  -1.280
   45   2HG2  VAL   6          HG21      VAL   6   4.802  -0.266  -0.231
   46   3HG2  VAL   6          HG23      VAL   6   4.661  -0.425  -1.982
   47    H    ASP   7           HN       ASP   7   6.431   0.839  -3.326
   48    HA   ASP   7           HA       ASP   7   6.171   1.816  -5.974
   49   1HB   ASP   7           HB2      ASP   7   7.585  -0.189  -4.904
   50   2HB   ASP   7           HB1      ASP   7   6.247  -1.138  -5.551
   51    H    CYS   8           HN       CYS   8   4.739   1.170  -7.699
   52    HA   CYS   8           HA       CYS   8   2.450  -0.527  -7.117
   53   1HB   CYS   8           HB2      CYS   8   2.216   2.122  -6.372
   54   2HB   CYS   8           HB1      CYS   8   1.516   2.126  -7.981
   55    H    SER   9           HN       SER   9   4.680  -0.056  -9.124
   56    HA   SER   9           HA       SER   9   3.148   0.514 -11.586
   57   1HB   SER   9           HB2      SER   9   5.917   0.639 -10.785
   58   2HB   SER   9           HB1      SER   9   5.758  -0.353 -12.232
   59    HG   SER   9           HG       SER   9   5.432   1.422 -13.289
   60    H    GLU  10           HN       GLU  10   3.433  -2.173  -9.705
   61    HA   GLU  10           HA       GLU  10   3.272  -3.943 -12.104
   62   1HB   GLU  10           HB2      GLU  10   4.515  -5.655 -10.924
   63   2HB   GLU  10           HB1      GLU  10   5.460  -4.168 -10.908
   64   1HG   GLU  10           HG2      GLU  10   3.656  -4.269  -8.641
   65   2HG   GLU  10           HG1      GLU  10   4.696  -5.693  -8.679
   66    H    TYR  11           HN       TYR  11   1.728  -2.876  -9.269
   67    HA   TYR  11           HA       TYR  11   0.360  -5.351  -8.690
   68   1HB   TYR  11           HB2      TYR  11  -0.015  -2.515  -7.753
   69   2HB   TYR  11           HB1      TYR  11  -0.960  -3.864  -7.136
   70    HD1  TYR  11           HD2      TYR  11   2.448  -2.414  -7.349
   71    HD2  TYR  11           HD1      TYR  11   0.016  -5.531  -5.659
   72    HE1  TYR  11           HE2      TYR  11   4.299  -3.028  -5.822
   73    HE2  TYR  11           HE1      TYR  11   1.874  -6.135  -4.120
   74    HH   TYR  11           HH       TYR  11   3.932  -5.676  -3.461
   75    HA   PRO  12           HA       PRO  12  -1.815  -5.426  -7.587
   76   1HB   PRO  12           HB2      PRO  12  -3.483  -7.489  -8.319
   77   2HB   PRO  12           HB1      PRO  12  -4.073  -5.888  -7.835
   78   1HG   PRO  12           HG2      PRO  12  -3.786  -7.028 -10.609
   79   2HG   PRO  12           HG1      PRO  12  -5.046  -5.959  -9.960
   80   1HD   PRO  12           HD2      PRO  12  -2.940  -5.022 -11.488
   81   2HD   PRO  12           HD1      PRO  12  -3.807  -4.083 -10.333
   82    H    LYS  13           HN       LYS  13  -0.576  -7.139  -6.848
   83    HA   LYS  13           HA       LYS  13   0.849  -8.725  -8.929
   84   1HB   LYS  13           HB2      LYS  13   1.682  -7.380  -6.552
   85   2HB   LYS  13           HB1      LYS  13   1.937  -9.107  -6.310
   86   1HG   LYS  13           HG2      LYS  13   2.907  -8.955  -8.784
   87   2HG   LYS  13           HG1      LYS  13   3.171  -7.273  -8.325
   88   1HD   LYS  13           HD2      LYS  13   4.988  -7.873  -7.147
   89   2HD   LYS  13           HD1      LYS  13   3.992  -8.928  -6.142
   90   1HE   LYS  13           HE2      LYS  13   4.143 -10.559  -8.196
   91   2HE   LYS  13           HE1      LYS  13   5.564  -9.600  -8.611
   92   1HZ   LYS  13           HZ3      LYS  13   6.170  -9.983  -6.144
   93   2HZ   LYS  13           HZ2      LYS  13   5.085 -11.287  -6.248
   94   3HZ   LYS  13           HZ1      LYS  13   6.444 -11.224  -7.267
   95    HA   PRO  14           HA       PRO  14  -1.367 -12.297  -7.576
   96   1HB   PRO  14           HB2      PRO  14   0.233 -14.168  -8.796
   97   2HB   PRO  14           HB1      PRO  14  -0.942 -13.164  -9.664
   98   1HG   PRO  14           HG2      PRO  14   2.031 -12.934  -9.584
   99   2HG   PRO  14           HG1      PRO  14   0.901 -12.435 -10.853
  100   1HD   PRO  14           HD2      PRO  14   2.143 -10.723  -9.004
  101   2HD   PRO  14           HD1      PRO  14   0.752 -10.316  -9.995
  102    H    ALA  15           HN       ALA  15   1.245 -11.244  -6.099
  103    HA   ALA  15           HA       ALA  15   1.257 -13.334  -4.091
  104   1HB   ALA  15           HB2      ALA  15   3.500 -13.152  -6.081
  105   2HB   ALA  15           HB1      ALA  15   3.864 -13.595  -4.413
  106   3HB   ALA  15           HB3      ALA  15   2.758 -14.584  -5.367
  107    H    CYS  16           HN       CYS  16   1.571 -12.247  -2.201
  108    HA   CYS  16           HA       CYS  16   2.918  -9.592  -2.348
  109   1HB   CYS  16           HB2      CYS  16   1.223 -10.718  -0.096
  110   2HB   CYS  16           HB1      CYS  16   1.769  -9.053  -0.284
  111    H    THR  17           HN       THR  17   4.748  -9.171  -1.142
  112    HA   THR  17           HA       THR  17   6.446 -11.289  -0.341
  113    HB   THR  17           HB       THR  17   7.329  -9.218   1.208
  114    HG1  THR  17           HG1      THR  17   5.740  -7.801   0.720
  115   1HG2  THR  17          HG23      THR  17   7.980 -10.427  -1.246
  116   2HG2  THR  17          HG22      THR  17   7.975  -8.692  -1.564
  117   3HG2  THR  17          HG21      THR  17   9.000  -9.352  -0.291
  118    H    LEU  18           HN       LEU  18   7.288 -10.776   2.278
  119    HA   LEU  18           HA       LEU  18   4.818 -11.453   3.824
  120   1HB   LEU  18           HB2      LEU  18   6.165 -12.936   5.206
  121   2HB   LEU  18           HB1      LEU  18   6.393 -13.376   3.513
  122    HG   LEU  18           HG       LEU  18   8.320 -11.383   4.080
  123   1HD1  LEU  18          HD11      LEU  18   7.698 -12.200   6.505
  124   2HD1  LEU  18          HD13      LEU  18   8.651 -13.616   6.061
  125   3HD1  LEU  18          HD12      LEU  18   9.393 -12.016   6.055
  126   1HD2  LEU  18          HD21      LEU  18   8.140 -13.851   2.831
  127   2HD2  LEU  18          HD23      LEU  18   9.613 -12.892   2.989
  128   3HD2  LEU  18          HD22      LEU  18   9.257 -14.162   4.161
  129    H    GLU  19           HN       GLU  19   7.822  -9.615   3.753
  130    HA   GLU  19           HA       GLU  19   8.139  -8.765   6.354
  131   1HB   GLU  19           HB2      GLU  19   8.276  -7.235   3.760
  132   2HB   GLU  19           HB1      GLU  19   8.644  -6.463   5.306
  133   1HG   GLU  19           HG2      GLU  19  10.641  -7.470   5.427
  134   2HG   GLU  19           HG1      GLU  19   9.937  -9.045   5.087
  135    H    TYR  20           HN       TYR  20   6.700  -8.039   7.781
  136    HA   TYR  20           HA       TYR  20   4.115  -7.040   6.861
  137   1HB   TYR  20           HB2      TYR  20   4.348  -8.445   8.906
  138   2HB   TYR  20           HB1      TYR  20   5.149  -7.093   9.702
  139    HD1  TYR  20           HD2      TYR  20   2.282  -7.109   7.289
  140    HD2  TYR  20           HD1      TYR  20   3.593  -6.310  11.305
  141    HE1  TYR  20           HE2      TYR  20   0.065  -6.126   7.815
  142    HE2  TYR  20           HE1      TYR  20   1.377  -5.325  11.827
  143    HH   TYR  20           HH       TYR  20  -1.074  -4.873   9.319
  144    H    ARG  21           HN       ARG  21   3.673  -5.056   6.451
  145    HA   ARG  21           HA       ARG  21   4.823  -2.805   7.932
  146   1HB   ARG  21           HB2      ARG  21   5.127  -2.190   5.117
  147   2HB   ARG  21           HB1      ARG  21   6.332  -2.093   6.397
  148   1HG   ARG  21           HG2      ARG  21   7.085  -4.301   6.024
  149   2HG   ARG  21           HG1      ARG  21   5.614  -4.753   5.160
  150   1HD   ARG  21           HD2      ARG  21   6.276  -3.717   3.199
  151   2HD   ARG  21           HD1      ARG  21   7.279  -2.536   4.039
  152    HE   ARG  21           HE       ARG  21   8.817  -4.587   4.498
  153   1HH1  ARG  21          HH21      ARG  21   6.806  -6.186   2.712
  154   2HH1  ARG  21          HH22      ARG  21   7.731  -6.291   1.250
  155   1HH2  ARG  21          HH11      ARG  21  10.006  -3.853   2.204
  156   2HH2  ARG  21          HH12      ARG  21   9.544  -4.970   0.964
  157    HA   PRO  22           HA       PRO  22   0.465  -2.595   6.574
  158   1HB   PRO  22           HB2      PRO  22  -0.365  -1.303   8.878
  159   2HB   PRO  22           HB1      PRO  22  -0.313  -3.068   8.669
  160   1HG   PRO  22           HG2      PRO  22   1.598  -1.280  10.133
  161   2HG   PRO  22           HG1      PRO  22   1.143  -2.959  10.479
  162   1HD   PRO  22           HD2      PRO  22   3.526  -2.221   9.251
  163   2HD   PRO  22           HD1      PRO  22   2.768  -3.820   9.075
  164    H    LEU  23           HN       LEU  23   0.004  -1.011   5.139
  165    HA   LEU  23           HA       LEU  23   0.894   1.755   5.848
  166   1HB   LEU  23           HB2      LEU  23   0.220   0.739   3.080
  167   2HB   LEU  23           HB1      LEU  23   1.120   2.196   3.515
  168    HG   LEU  23           HG       LEU  23   2.310  -0.187   4.695
  169   1HD1  LEU  23          HD11      LEU  23   1.784  -0.111   1.738
  170   2HD1  LEU  23          HD13      LEU  23   3.234  -0.888   2.375
  171   3HD1  LEU  23          HD12      LEU  23   1.639  -1.468   2.855
  172   1HD2  LEU  23          HD23      LEU  23   3.048   2.339   3.577
  173   2HD2  LEU  23          HD22      LEU  23   4.044   1.222   4.511
  174   3HD2  LEU  23          HD21      LEU  23   3.967   1.078   2.754
  175    H    CYS  24           HN       CYS  24  -0.674   3.271   6.085
  176    HA   CYS  24           HA       CYS  24  -3.478   2.392   5.856
  177   1HB   CYS  24           HB2      CYS  24  -2.965   3.568   7.873
  178   2HB   CYS  24           HB1      CYS  24  -2.126   4.831   6.997
  179    H    GLY  25           HN       GLY  25  -5.059   3.811   4.785
  180   1HA   GLY  25           HA2      GLY  25  -3.965   5.019   2.302
  181   2HA   GLY  25           HA1      GLY  25  -5.507   4.359   2.464
  182    H    SER  26           HN       SER  26  -5.441   6.845   1.437
  183    HA   SER  26           HA       SER  26  -5.602   8.879   3.518
  184   1HB   SER  26           HB2      SER  26  -5.023   9.361   1.108
  185   2HB   SER  26           HB1      SER  26  -6.699   9.022   0.691
  186    HG   SER  26           HG       SER  26  -6.941  10.650   2.628
  187    H    ASP  27           HN       ASP  27  -7.587   6.346   2.718
  188    HA   ASP  27           HA       ASP  27 -10.106   7.792   3.331
  189   1HB   ASP  27           HB2      ASP  27 -11.205   5.677   2.707
  190   2HB   ASP  27           HB1      ASP  27 -10.107   6.201   1.432
  191    H    ASN  28           HN       ASN  28  -7.629   6.334   4.982
  192    HA   ASN  28           HA       ASN  28  -7.493   5.918   7.306
  193   1HB   ASN  28           HB2      ASN  28  -9.725   7.270   7.367
  194   2HB   ASN  28           HB1      ASN  28 -10.489   5.683   7.472
  195   1HD2  ASN  28          HD22      ASN  28 -10.017   6.082  10.984
  196   2HD2  ASN  28          HD21      ASN  28 -11.153   6.125   9.723
  197    H    LYS  29           HN       LYS  29  -7.283   3.914   5.347
  198    HA   LYS  29           HA       LYS  29  -8.502   1.599   6.778
  199   1HB   LYS  29           HB2      LYS  29  -9.606   1.722   4.662
  200   2HB   LYS  29           HB1      LYS  29  -8.099   2.039   3.808
  201   1HG   LYS  29           HG2      LYS  29  -7.642  -0.142   3.630
  202   2HG   LYS  29           HG1      LYS  29  -7.904  -0.398   5.353
  203   1HD   LYS  29           HD2      LYS  29 -10.174  -0.882   5.077
  204   2HD   LYS  29           HD1      LYS  29 -10.267  -0.034   3.533
  205   1HE   LYS  29           HE2      LYS  29  -8.549  -1.869   2.749
  206   2HE   LYS  29           HE1      LYS  29  -9.186  -2.772   4.124
  207   1HZ   LYS  29           HZ2      LYS  29 -11.454  -2.225   3.189
  208   2HZ   LYS  29           HZ1      LYS  29 -10.655  -1.752   1.767
  209   3HZ   LYS  29           HZ3      LYS  29 -10.530  -3.352   2.315
  210    H    THR  30           HN       THR  30  -7.064  -0.054   7.283
  211    HA   THR  30           HA       THR  30  -4.205   0.520   6.763
  212    HB   THR  30           HB       THR  30  -5.599  -1.480   8.566
  213    HG1  THR  30           HG1      THR  30  -5.516   0.249   9.752
  214   1HG2  THR  30          HG23      THR  30  -2.641  -1.065   8.032
  215   2HG2  THR  30          HG22      THR  30  -3.283  -2.003   9.380
  216   3HG2  THR  30          HG21      THR  30  -3.571  -2.530   7.722
  217    H    TYR  31           HN       TYR  31  -2.816  -1.071   5.827
  218    HA   TYR  31           HA       TYR  31  -4.201  -3.265   4.370
  219   1HB   TYR  31           HB2      TYR  31  -2.290  -1.200   3.253
  220   2HB   TYR  31           HB1      TYR  31  -2.353  -2.813   2.595
  221    HD1  TYR  31           HD2      TYR  31  -4.473  -3.713   1.612
  222    HD2  TYR  31           HD1      TYR  31  -4.100   0.355   2.942
  223    HE1  TYR  31           HE2      TYR  31  -6.525  -3.112   0.353
  224    HE2  TYR  31           HE1      TYR  31  -6.151   0.954   1.685
  225    HH   TYR  31           HH       TYR  31  -7.798   0.222   0.399
  226    H    GLY  32           HN       GLY  32  -3.229  -5.214   4.723
  227   1HA   GLY  32           HA2      GLY  32  -1.501  -5.786   6.712
  228   2HA   GLY  32           HA1      GLY  32  -1.485  -6.746   5.247
  229    H    ASN  33           HN       ASN  33  -0.350  -5.082   3.386
  230    HA   ASN  33           HA       ASN  33   1.999  -3.783   4.515
  231   1HB   ASN  33           HB2      ASN  33   3.656  -5.291   3.441
  232   2HB   ASN  33           HB1      ASN  33   2.738  -6.092   4.708
  233   1HD2  ASN  33          HD22      ASN  33   2.645  -8.489   1.947
  234   2HD2  ASN  33          HD21      ASN  33   3.739  -7.926   3.115
  235    H    LYS  34           HN       LYS  34   3.663  -3.796   2.337
  236    HA   LYS  34           HA       LYS  34   2.585  -1.785   0.722
  237   1HB   LYS  34           HB2      LYS  34   4.501  -2.083  -0.706
  238   2HB   LYS  34           HB1      LYS  34   5.024  -2.433   0.943
  239   1HG   LYS  34           HG2      LYS  34   4.475  -4.887   0.437
  240   2HG   LYS  34           HG1      LYS  34   4.376  -4.401  -1.257
  241   1HD   LYS  34           HD2      LYS  34   6.744  -3.240  -0.453
  242   2HD   LYS  34           HD1      LYS  34   6.741  -4.758   0.446
  243   1HE   LYS  34           HE2      LYS  34   7.601  -5.595  -1.501
  244   2HE   LYS  34           HE1      LYS  34   5.903  -5.646  -1.976
  245   1HZ   LYS  34           HZ2      LYS  34   6.484  -3.141  -2.590
  246   2HZ   LYS  34           HZ1      LYS  34   8.016  -3.836  -2.825
  247   3HZ   LYS  34           HZ3      LYS  34   6.679  -4.425  -3.686
  248    H    CYS  35           HN       CYS  35   2.623  -5.291   0.100
  249    HA   CYS  35           HA       CYS  35   1.633  -5.144  -2.551
  250   1HB   CYS  35           HB2      CYS  35   2.506  -7.225  -1.587
  251   2HB   CYS  35           HB1      CYS  35   1.157  -7.278  -0.453
  252    H    ASN  36           HN       ASN  36  -0.329  -6.128   0.264
  253    HA   ASN  36           HA       ASN  36  -2.839  -5.776  -0.913
  254   1HB   ASN  36           HB2      ASN  36  -1.968  -5.441   1.960
  255   2HB   ASN  36           HB1      ASN  36  -3.659  -5.402   1.461
  256   1HD2  ASN  36          HD22      ASN  36  -1.607  -8.946   1.359
  257   2HD2  ASN  36          HD21      ASN  36  -0.761  -7.486   1.508
  258    H    PHE  37           HN       PHE  37  -0.682  -3.269   0.301
  259    HA   PHE  37           HA       PHE  37  -2.748  -1.230   0.497
  260   1HB   PHE  37           HB2      PHE  37  -0.598  -0.987   1.665
  261   2HB   PHE  37           HB1      PHE  37   0.236  -0.900   0.250
  262    HD1  PHE  37           HD1      PHE  37  -3.009   0.627   1.023
  263    HD2  PHE  37           HD2      PHE  37   1.104   1.207   0.054
  264    HE1  PHE  37           HE1      PHE  37  -3.435   3.070   0.742
  265    HE2  PHE  37           HE2      PHE  37   0.712   3.644  -0.219
  266    HZ   PHE  37           HZ       PHE  37  -1.563   4.573   0.125
  267    H    CYS  38           HN       CYS  38  -0.042  -1.537  -1.686
  268    HA   CYS  38           HA       CYS  38  -0.747   0.439  -3.519
  269   1HB   CYS  38           HB2      CYS  38   1.418  -0.375  -3.787
  270   2HB   CYS  38           HB1      CYS  38   0.902  -2.060  -3.771
  271    H    ASN  39           HN       ASN  39  -1.608  -3.059  -3.788
  272    HA   ASN  39           HA       ASN  39  -2.918  -2.875  -6.257
  273   1HB   ASN  39           HB2      ASN  39  -4.656  -4.439  -4.632
  274   2HB   ASN  39           HB1      ASN  39  -3.442  -5.017  -5.766
  275   1HD2  ASN  39          HD22      ASN  39  -1.317  -6.158  -3.220
  276   2HD2  ASN  39          HD21      ASN  39  -1.666  -6.100  -4.877
  277    H    ALA  40           HN       ALA  40  -3.954  -1.694  -3.121
  278    HA   ALA  40           HA       ALA  40  -6.673  -1.055  -3.950
  279   1HB   ALA  40           HB1      ALA  40  -4.981  -0.706  -1.557
  280   2HB   ALA  40           HB3      ALA  40  -6.119   0.614  -1.831
  281   3HB   ALA  40           HB2      ALA  40  -6.709  -1.041  -1.668
  282    H    VAL  41           HN       VAL  41  -3.587   0.593  -3.782
  283    HA   VAL  41           HA       VAL  41  -4.506   3.231  -4.432
  284    HB   VAL  41           HB       VAL  41  -1.855   1.811  -4.736
  285   1HG1  VAL  41          HG11      VAL  41  -2.754   4.415  -5.781
  286   2HG1  VAL  41          HG13      VAL  41  -1.270   4.489  -4.831
  287   3HG1  VAL  41          HG12      VAL  41  -1.363   3.435  -6.241
  288   1HG2  VAL  41          HG22      VAL  41  -3.012   3.808  -2.782
  289   2HG2  VAL  41          HG21      VAL  41  -2.436   2.176  -2.446
  290   3HG2  VAL  41          HG23      VAL  41  -1.288   3.448  -2.867
  291    H    VAL  42           HN       VAL  42  -3.592   0.447  -6.382
  292    HA   VAL  42           HA       VAL  42  -3.697   2.025  -8.838
  293    HB   VAL  42           HB       VAL  42  -1.938   0.510  -8.947
  294   1HG1  VAL  42          HG11      VAL  42  -3.699  -1.258  -7.327
  295   2HG1  VAL  42          HG13      VAL  42  -2.488  -2.021  -8.357
  296   3HG1  VAL  42          HG12      VAL  42  -1.993  -0.866  -7.120
  297   1HG2  VAL  42          HG22      VAL  42  -3.825   0.225 -10.759
  298   2HG2  VAL  42          HG21      VAL  42  -2.425  -0.849 -10.734
  299   3HG2  VAL  42          HG23      VAL  42  -3.957  -1.383 -10.044
  300    H    GLU  43           HN       GLU  43  -5.880   0.202  -6.923
  301    HA   GLU  43           HA       GLU  43  -7.644  -0.403  -9.223
  302   1HB   GLU  43           HB2      GLU  43  -9.123  -1.303  -7.417
  303   2HB   GLU  43           HB1      GLU  43  -7.609  -2.152  -7.503
  304   1HG   GLU  43           HG2      GLU  43  -6.828  -0.701  -5.641
  305   2HG   GLU  43           HG1      GLU  43  -8.411   0.064  -5.597
  306    H    SER  44           HN       SER  44  -7.223   1.775  -6.556
  307    HA   SER  44           HA       SER  44  -9.863   3.028  -6.857
  308   1HB   SER  44           HB2      SER  44  -9.326   4.198  -4.882
  309   2HB   SER  44           HB1      SER  44  -8.451   2.686  -4.674
  310    HG   SER  44           HG       SER  44  -6.700   3.932  -5.837
  311    H    ASN  45           HN       ASN  45  -7.599   3.113  -8.981
  312    HA   ASN  45           HA       ASN  45  -6.870   4.663 -10.556
  313   1HB   ASN  45           HB2      ASN  45  -9.100   6.190  -9.215
  314   2HB   ASN  45           HB1      ASN  45  -8.079   6.941 -10.431
  315   1HD2  ASN  45          HD22      ASN  45 -10.914   4.297 -11.588
  316   2HD2  ASN  45          HD21      ASN  45 -10.711   4.723  -9.957
  317    H    GLY  46           HN       GLY  46  -6.022   4.604  -7.527
  318   1HA   GLY  46           HA2      GLY  46  -4.136   5.525  -6.471
  319   2HA   GLY  46           HA1      GLY  46  -3.923   6.603  -7.843
  320    H    THR  47           HN       THR  47  -7.048   6.535  -6.369
  321    HA   THR  47           HA       THR  47  -6.613   9.295  -5.387
  322    HB   THR  47           HB       THR  47  -8.995   9.470  -5.278
  323    HG1  THR  47           HG1      THR  47 -10.293   7.606  -5.471
  324   1HG2  THR  47          HG23      THR  47  -7.791   9.105  -7.590
  325   2HG2  THR  47          HG22      THR  47  -8.713   7.602  -7.606
  326   3HG2  THR  47          HG21      THR  47  -9.552   9.151  -7.514
  327    H    LEU  48           HN       LEU  48  -6.178   6.269  -4.188
  328    HA   LEU  48           HA       LEU  48  -7.372   6.636  -1.554
  329   1HB   LEU  48           HB2      LEU  48  -7.180   4.388  -1.616
  330   2HB   LEU  48           HB1      LEU  48  -6.242   4.496  -3.096
  331    HG   LEU  48           HG       LEU  48  -4.178   4.834  -1.746
  332   1HD1  LEU  48          HD11      LEU  48  -6.063   5.302   0.333
  333   2HD1  LEU  48          HD13      LEU  48  -5.151   3.855   0.761
  334   3HD1  LEU  48          HD12      LEU  48  -4.304   5.367   0.434
  335   1HD2  LEU  48          HD22      LEU  48  -5.273   2.543  -2.415
  336   2HD2  LEU  48          HD21      LEU  48  -3.886   2.570  -1.326
  337   3HD2  LEU  48          HD23      LEU  48  -5.513   2.375  -0.675
  338    H    THR  49           HN       THR  49  -4.063   6.409  -2.749
  339    HA   THR  49           HA       THR  49  -2.052   7.206  -1.947
  340    HB   THR  49           HB       THR  49  -2.122   9.521  -1.121
  341    HG1  THR  49           HG1      THR  49  -4.873   9.519  -1.629
  342   1HG2  THR  49          HG23      THR  49  -2.271   8.750  -3.574
  343   2HG2  THR  49          HG22      THR  49  -3.956   9.260  -3.478
  344   3HG2  THR  49          HG21      THR  49  -2.664  10.430  -3.211
  345    H    LEU  50           HN       LEU  50  -0.899   6.599  -0.300
  346    HA   LEU  50           HA       LEU  50  -1.919   5.705   2.190
  347   1HB   LEU  50           HB2      LEU  50   0.136   4.797   1.451
  348   2HB   LEU  50           HB1      LEU  50   0.807   6.376   1.085
  349    HG   LEU  50           HG       LEU  50   0.614   6.782   3.663
  350   1HD1  LEU  50          HD12      LEU  50  -0.075   3.932   3.320
  351   2HD1  LEU  50          HD11      LEU  50   1.166   4.249   4.534
  352   3HD1  LEU  50          HD13      LEU  50  -0.417   5.016   4.668
  353   1HD2  LEU  50          HD22      LEU  50   2.641   6.201   2.037
  354   2HD2  LEU  50          HD21      LEU  50   2.862   6.233   3.786
  355   3HD2  LEU  50          HD23      LEU  50   2.636   4.695   2.953
  356    H    SER  51           HN       SER  51  -1.532   6.689   4.310
  357    HA   SER  51           HA       SER  51  -1.325   9.672   4.176
  358   1HB   SER  51           HB2      SER  51  -3.459   8.195   5.226
  359   2HB   SER  51           HB1      SER  51  -2.482   8.561   6.610
  360    HG   SER  51           HG       SER  51  -4.063  10.186   6.036
  361    H    HIS  52           HN       HIS  52  -0.200   6.711   5.543
  362    HA   HIS  52           HA       HIS  52   2.242   7.790   6.516
  363   1HB   HIS  52           HB2      HIS  52   1.874   7.631   8.928
  364   2HB   HIS  52           HB1      HIS  52   0.706   8.761   8.247
  365    HD1  HIS  52           HD1      HIS  52   0.607   6.434  10.743
  366    HD2  HIS  52           HD2      HIS  52  -1.591   6.676   7.201
  367    HE1  HIS  52           HE1      HIS  52  -1.467   5.016  11.077
  368    H    PHE  53           HN       PHE  53   3.471   6.056   7.640
  369    HA   PHE  53           HA       PHE  53   2.768   3.437   6.562
  370   1HB   PHE  53           HB2      PHE  53   5.061   4.432   8.266
  371   2HB   PHE  53           HB1      PHE  53   4.892   2.743   7.787
  372    HD1  PHE  53           HD2      PHE  53   4.996   6.208   6.390
  373    HD2  PHE  53           HD1      PHE  53   5.649   2.024   5.670
  374    HE1  PHE  53           HE2      PHE  53   5.968   6.741   4.178
  375    HE2  PHE  53           HE1      PHE  53   6.631   2.559   3.456
  376    HZ   PHE  53           HZ       PHE  53   6.792   4.919   2.709
  377    H    GLY  54           HN       GLY  54   3.012   1.504   8.184
  378   1HA   GLY  54           HA2      GLY  54   2.354   0.440  10.193
  379   2HA   GLY  54           HA1      GLY  54   2.079   2.012  10.896
  380    H    LYS  55           HN       LYS  55   0.106   0.708  11.673
  381    HA   LYS  55           HA       LYS  55  -2.041   0.555   9.642
  382   1HB   LYS  55           HB2      LYS  55  -3.058   0.107  12.287
  383   2HB   LYS  55           HB1      LYS  55  -2.888  -1.054  10.973
  384   1HG   LYS  55           HG2      LYS  55  -0.545  -1.469  11.649
  385   2HG   LYS  55           HG1      LYS  55  -0.731  -0.321  12.976
  386   1HD   LYS  55           HD2      LYS  55  -1.770  -1.848  14.264
  387   2HD   LYS  55           HD1      LYS  55  -2.883  -2.275  12.964
  388   1HE   LYS  55           HE2      LYS  55  -1.306  -3.824  12.014
  389   2HE   LYS  55           HE1      LYS  55  -0.023  -3.263  13.086
  390   1HZ   LYS  55           HZ1      LYS  55  -1.807  -3.947  14.887
  391   2HZ   LYS  55           HZ3      LYS  55  -2.295  -5.006  13.655
  392   3HZ   LYS  55           HZ2      LYS  55  -0.703  -5.068  14.247
  393    H    CYS  56           HN       CYS  56  -3.701   2.051   9.519
  394    HA   CYS  56           HA       CYS  56  -3.335   4.660  10.562
  395   1HB   CYS  56           HB2      CYS  56  -5.249   3.317   8.922
  396   2HB   CYS  56           HB1      CYS  56  -6.131   4.207  10.163
   
  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           HT1      LEU   1   2.954  19.927  -1.695
    2   2H    LEU   1           HT3      LEU   1   2.949  21.034  -0.410
    3   3H    LEU   1           HT2      LEU   1   4.395  20.705  -1.241
    4    HA   LEU   1           HA       LEU   1   4.668  19.447   0.647
    5   1HB   LEU   1           HB2      LEU   1   1.849  19.735   0.780
    6   2HB   LEU   1           HB1      LEU   1   2.183  18.004   0.827
    7    HG   LEU   1           HG       LEU   1   2.194  19.041   3.095
    8   1HD1  LEU   1          HD12      LEU   1   3.583  17.032   2.512
    9   2HD1  LEU   1          HD11      LEU   1   4.939  18.116   2.202
   10   3HD1  LEU   1          HD13      LEU   1   4.260  17.995   3.825
   11   1HD2  LEU   1          HD21      LEU   1   3.995  20.887   1.689
   12   2HD2  LEU   1          HD23      LEU   1   3.086  21.126   3.181
   13   3HD2  LEU   1          HD22      LEU   1   4.651  20.315   3.224
   14    H    ALA   2           HN       ALA   2   5.928  17.779  -0.031
   15    HA   ALA   2           HA       ALA   2   5.306  16.219  -2.378
   16   1HB   ALA   2           HB2      ALA   2   7.482  16.370  -0.397
   17   2HB   ALA   2           HB1      ALA   2   7.220  14.757  -1.059
   18   3HB   ALA   2           HB3      ALA   2   7.563  16.108  -2.140
   19    H    ALA   3           HN       ALA   3   4.428  15.949   0.940
   20    HA   ALA   3           HA       ALA   3   3.140  14.340   2.066
   21   1HB   ALA   3           HB3      ALA   3   2.294  14.307  -0.655
   22   2HB   ALA   3           HB2      ALA   3   2.378  12.634  -0.107
   23   3HB   ALA   3           HB1      ALA   3   1.385  13.799   0.768
   24    H    VAL   4           HN       VAL   4   2.785  11.607   1.523
   25    HA   VAL   4           HA       VAL   4   5.415  10.412   1.005
   26    HB   VAL   4           HB       VAL   4   5.744  11.051   3.315
   27   1HG1  VAL   4          HG11      VAL   4   3.221  11.289   3.711
   28   2HG1  VAL   4          HG13      VAL   4   3.212   9.553   4.018
   29   3HG1  VAL   4          HG12      VAL   4   4.161  10.626   5.048
   30   1HG2  VAL   4          HG22      VAL   4   5.541   8.303   2.447
   31   2HG2  VAL   4          HG21      VAL   4   6.696   9.022   3.571
   32   3HG2  VAL   4          HG23      VAL   4   5.151   8.413   4.164
   33    H    SER   5           HN       SER   5   4.788   8.746  -0.282
   34    HA   SER   5           HA       SER   5   2.706   6.895   0.729
   35   1HB   SER   5           HB2      SER   5   2.612   7.867  -2.128
   36   2HB   SER   5           HB1      SER   5   1.393   6.946  -1.251
   37    HG   SER   5           HG       SER   5   1.373   8.879   0.192
   38    H    VAL   6           HN       VAL   6   2.570   5.260  -1.544
   39    HA   VAL   6           HA       VAL   6   5.421   4.429  -1.899
   40    HB   VAL   6           HB       VAL   6   2.979   2.679  -1.475
   41   1HG1  VAL   6          HG12      VAL   6   5.772   2.107  -2.412
   42   2HG1  VAL   6          HG11      VAL   6   4.952   0.921  -1.397
   43   3HG1  VAL   6          HG13      VAL   6   4.249   1.395  -2.943
   44   1HG2  VAL   6          HG21      VAL   6   4.059   3.826   0.526
   45   2HG2  VAL   6          HG23      VAL   6   4.018   2.065   0.600
   46   3HG2  VAL   6          HG22      VAL   6   5.513   2.895   0.169
   47    H    ASP   7           HN       ASP   7   5.832   3.253  -3.925
   48    HA   ASP   7           HA       ASP   7   4.148   4.294  -6.116
   49   1HB   ASP   7           HB2      ASP   7   6.607   4.460  -6.290
   50   2HB   ASP   7           HB1      ASP   7   6.730   2.702  -6.194
   51    H    CYS   8           HN       CYS   8   2.844   3.006  -7.401
   52    HA   CYS   8           HA       CYS   8   2.932   0.062  -6.946
   53   1HB   CYS   8           HB2      CYS   8   0.350   1.613  -7.177
   54   2HB   CYS   8           HB1      CYS   8   0.581  -0.047  -6.635
   55    H    SER   9           HN       SER   9   4.160   0.758  -9.128
   56    HA   SER   9           HA       SER   9   2.267   1.126 -11.368
   57   1HB   SER   9           HB2      SER   9   5.136   1.487 -10.936
   58   2HB   SER   9           HB1      SER   9   4.786   0.660 -12.451
   59    HG   SER   9           HG       SER   9   3.061   2.466 -12.517
   60    H    GLU  10           HN       GLU  10   3.279  -1.469  -9.574
   61    HA   GLU  10           HA       GLU  10   2.928  -3.298 -11.915
   62   1HB   GLU  10           HB2      GLU  10   4.803  -3.637  -9.554
   63   2HB   GLU  10           HB1      GLU  10   4.479  -4.884 -10.760
   64   1HG   GLU  10           HG2      GLU  10   6.326  -3.945 -11.752
   65   2HG   GLU  10           HG1      GLU  10   5.106  -2.857 -12.414
   66    H    TYR  11           HN       TYR  11   0.831  -2.384 -10.188
   67    HA   TYR  11           HA       TYR  11   0.214  -4.879  -8.707
   68   1HB   TYR  11           HB2      TYR  11  -0.327  -1.978  -8.084
   69   2HB   TYR  11           HB1      TYR  11  -1.316  -3.246  -7.366
   70    HD1  TYR  11           HD1      TYR  11  -0.341  -4.881  -5.802
   71    HD2  TYR  11           HD2      TYR  11   2.041  -1.755  -7.537
   72    HE1  TYR  11           HE1      TYR  11   1.457  -5.337  -4.155
   73    HE2  TYR  11           HE2      TYR  11   3.834  -2.204  -5.885
   74    HH   TYR  11           HH       TYR  11   4.264  -4.806  -4.303
   75    HA   PRO  12           HA       PRO  12  -1.791  -5.004  -7.435
   76   1HB   PRO  12           HB2      PRO  12  -3.418  -7.219  -7.584
   77   2HB   PRO  12           HB1      PRO  12  -4.028  -5.581  -7.287
   78   1HG   PRO  12           HG2      PRO  12  -4.130  -7.198  -9.801
   79   2HG   PRO  12           HG1      PRO  12  -5.250  -5.953  -9.222
   80   1HD   PRO  12           HD2      PRO  12  -3.273  -5.555 -11.177
   81   2HD   PRO  12           HD1      PRO  12  -4.114  -4.294 -10.308
   82    H    LYS  13           HN       LYS  13  -1.188  -7.250  -6.497
   83    HA   LYS  13           HA       LYS  13   0.559  -8.696  -8.450
   84   1HB   LYS  13           HB2      LYS  13   1.197  -7.390  -5.983
   85   2HB   LYS  13           HB1      LYS  13   1.417  -9.125  -5.758
   86   1HG   LYS  13           HG2      LYS  13   2.834  -9.220  -7.769
   87   2HG   LYS  13           HG1      LYS  13   2.593  -7.492  -8.026
   88   1HD   LYS  13           HD2      LYS  13   4.618  -7.479  -6.887
   89   2HD   LYS  13           HD1      LYS  13   3.485  -7.312  -5.546
   90   1HE   LYS  13           HE2      LYS  13   4.325  -9.195  -4.649
   91   2HE   LYS  13           HE1      LYS  13   3.729 -10.090  -6.048
   92   1HZ   LYS  13           HZ2      LYS  13   5.999  -8.800  -6.911
   93   2HZ   LYS  13           HZ1      LYS  13   6.399  -9.393  -5.370
   94   3HZ   LYS  13           HZ3      LYS  13   5.839 -10.457  -6.566
   95    HA   PRO  14           HA       PRO  14  -1.864 -12.210  -7.309
   96   1HB   PRO  14           HB2      PRO  14  -0.225 -14.129  -8.391
   97   2HB   PRO  14           HB1      PRO  14  -1.286 -13.086  -9.354
   98   1HG   PRO  14           HG2      PRO  14   1.675 -12.951  -9.014
   99   2HG   PRO  14           HG1      PRO  14   0.677 -12.417 -10.375
  100   1HD   PRO  14           HD2      PRO  14   1.803 -10.743  -8.421
  101   2HD   PRO  14           HD1      PRO  14   0.518 -10.293  -9.528
  102    H    ALA  15           HN       ALA  15   0.636 -11.236  -5.602
  103    HA   ALA  15           HA       ALA  15   0.363 -12.967  -3.425
  104   1HB   ALA  15           HB3      ALA  15   2.038 -14.076  -5.561
  105   2HB   ALA  15           HB2      ALA  15   2.867 -14.002  -4.006
  106   3HB   ALA  15           HB1      ALA  15   1.341 -14.875  -4.152
  107    H    CYS  16           HN       CYS  16   1.260 -11.841  -1.752
  108    HA   CYS  16           HA       CYS  16   3.391  -9.862  -2.423
  109   1HB   CYS  16           HB2      CYS  16   1.313  -8.952  -1.393
  110   2HB   CYS  16           HB1      CYS  16   1.583  -9.988   0.006
  111    H    THR  17           HN       THR  17   5.121  -9.575  -0.820
  112    HA   THR  17           HA       THR  17   6.333 -12.036  -0.013
  113    HB   THR  17           HB       THR  17   7.580 -10.191   1.563
  114    HG1  THR  17           HG1      THR  17   6.842  -8.679  -0.669
  115   1HG2  THR  17          HG22      THR  17   7.966 -11.383  -1.018
  116   2HG2  THR  17          HG21      THR  17   8.524  -9.711  -1.071
  117   3HG2  THR  17          HG23      THR  17   9.186 -10.823   0.126
  118    H    LEU  18           HN       LEU  18   7.104 -11.553   2.709
  119    HA   LEU  18           HA       LEU  18   4.432 -11.761   4.033
  120   1HB   LEU  18           HB2      LEU  18   6.534 -13.029   5.576
  121   2HB   LEU  18           HB1      LEU  18   5.029 -13.719   4.979
  122    HG   LEU  18           HG       LEU  18   7.379 -13.333   3.129
  123   1HD1  LEU  18          HD11      LEU  18   7.462 -14.918   5.438
  124   2HD1  LEU  18          HD13      LEU  18   7.087 -16.042   4.131
  125   3HD1  LEU  18          HD12      LEU  18   8.534 -15.036   4.042
  126   1HD2  LEU  18          HD22      LEU  18   4.750 -14.179   2.789
  127   2HD2  LEU  18          HD21      LEU  18   6.078 -14.477   1.667
  128   3HD2  LEU  18          HD23      LEU  18   5.658 -15.688   2.878
  129    H    GLU  19           HN       GLU  19   7.661 -10.402   4.182
  130    HA   GLU  19           HA       GLU  19   7.898  -9.517   6.780
  131   1HB   GLU  19           HB2      GLU  19   9.069  -7.541   5.918
  132   2HB   GLU  19           HB1      GLU  19   9.515  -8.963   4.978
  133   1HG   GLU  19           HG2      GLU  19   7.186  -7.799   3.785
  134   2HG   GLU  19           HG1      GLU  19   8.376  -6.528   4.043
  135    H    TYR  20           HN       TYR  20   6.459  -8.585   8.068
  136    HA   TYR  20           HA       TYR  20   4.064  -7.344   6.982
  137   1HB   TYR  20           HB2      TYR  20   4.062  -8.716   9.058
  138   2HB   TYR  20           HB1      TYR  20   4.949  -7.429   9.871
  139    HD1  TYR  20           HD2      TYR  20   2.180  -7.284   7.350
  140    HD2  TYR  20           HD1      TYR  20   3.437  -6.415  11.369
  141    HE1  TYR  20           HE2      TYR  20   0.045  -6.094   7.759
  142    HE2  TYR  20           HE1      TYR  20   1.301  -5.223  11.777
  143    HH   TYR  20           HH       TYR  20  -1.320  -5.572  10.241
  144    H    ARG  21           HN       ARG  21   3.709  -5.327   6.617
  145    HA   ARG  21           HA       ARG  21   4.915  -3.135   8.101
  146   1HB   ARG  21           HB2      ARG  21   5.593  -2.241   5.595
  147   2HB   ARG  21           HB1      ARG  21   6.740  -2.939   6.735
  148   1HG   ARG  21           HG2      ARG  21   6.029  -5.227   5.690
  149   2HG   ARG  21           HG1      ARG  21   5.410  -4.242   4.365
  150   1HD   ARG  21           HD2      ARG  21   7.849  -3.113   4.676
  151   2HD   ARG  21           HD1      ARG  21   8.212  -4.758   5.199
  152    HE   ARG  21           HE       ARG  21   6.906  -5.240   2.872
  153   1HH1  ARG  21          HH21      ARG  21   7.209  -2.854   1.473
  154   2HH1  ARG  21          HH22      ARG  21   8.841  -2.833   0.892
  155   1HH2  ARG  21          HH11      ARG  21   9.941  -5.262   3.110
  156   2HH2  ARG  21          HH12      ARG  21  10.389  -4.196   1.819
  157    HA   PRO  22           HA       PRO  22   0.630  -2.782   6.451
  158   1HB   PRO  22           HB2      PRO  22  -0.257  -1.497   8.749
  159   2HB   PRO  22           HB1      PRO  22  -0.289  -3.262   8.490
  160   1HG   PRO  22           HG2      PRO  22   1.616  -1.602  10.101
  161   2HG   PRO  22           HG1      PRO  22   1.067  -3.266  10.378
  162   1HD   PRO  22           HD2      PRO  22   3.547  -2.624   9.323
  163   2HD   PRO  22           HD1      PRO  22   2.717  -4.170   9.035
  164    H    LEU  23           HN       LEU  23   0.105  -1.090   5.120
  165    HA   LEU  23           HA       LEU  23   1.113   1.599   5.951
  166   1HB   LEU  23           HB2      LEU  23   0.373   0.580   3.193
  167   2HB   LEU  23           HB1      LEU  23   1.036   2.176   3.570
  168    HG   LEU  23           HG       LEU  23   2.720   0.319   4.852
  169   1HD1  LEU  23          HD11      LEU  23   1.603  -0.698   2.319
  170   2HD1  LEU  23          HD13      LEU  23   3.363  -0.724   2.419
  171   3HD1  LEU  23          HD12      LEU  23   2.399  -1.566   3.632
  172   1HD2  LEU  23          HD21      LEU  23   2.911   2.090   2.430
  173   2HD2  LEU  23          HD23      LEU  23   3.620   2.321   4.029
  174   3HD2  LEU  23          HD22      LEU  23   4.280   1.100   2.940
  175    H    CYS  24           HN       CYS  24  -0.420   3.046   6.516
  176    HA   CYS  24           HA       CYS  24  -3.238   2.242   6.221
  177   1HB   CYS  24           HB2      CYS  24  -1.738   3.960   8.029
  178   2HB   CYS  24           HB1      CYS  24  -3.202   4.745   7.464
  179    H    GLY  25           HN       GLY  25  -4.382   2.832   4.524
  180   1HA   GLY  25           HA2      GLY  25  -3.497   4.535   2.479
  181   2HA   GLY  25           HA1      GLY  25  -5.113   4.055   2.697
  182    H    SER  26           HN       SER  26  -5.767   6.197   1.983
  183    HA   SER  26           HA       SER  26  -5.237   8.399   3.891
  184   1HB   SER  26           HB2      SER  26  -6.925   9.490   2.091
  185   2HB   SER  26           HB1      SER  26  -5.193   9.390   1.826
  186    HG   SER  26           HG       SER  26  -7.259   8.120   0.571
  187    H    ASP  27           HN       ASP  27  -8.079   6.752   2.445
  188    HA   ASP  27           HA       ASP  27 -10.105   7.940   3.960
  189   1HB   ASP  27           HB2      ASP  27 -11.197   5.591   3.879
  190   2HB   ASP  27           HB1      ASP  27 -10.812   6.359   2.339
  191    H    ASN  28           HN       ASN  28  -7.581   5.797   4.938
  192    HA   ASN  28           HA       ASN  28  -6.779   5.698   7.187
  193   1HB   ASN  28           HB2      ASN  28  -8.029   6.255   9.018
  194   2HB   ASN  28           HB1      ASN  28  -8.854   7.219   7.808
  195   1HD2  ASN  28          HD22      ASN  28 -11.258   5.029   9.850
  196   2HD2  ASN  28          HD21      ASN  28  -9.955   5.995  10.351
  197    H    LYS  29           HN       LYS  29  -7.528   3.679   5.255
  198    HA   LYS  29           HA       LYS  29  -8.493   1.501   7.036
  199   1HB   LYS  29           HB2      LYS  29  -9.737   1.544   5.010
  200   2HB   LYS  29           HB1      LYS  29  -8.291   1.760   4.028
  201   1HG   LYS  29           HG2      LYS  29  -7.948  -0.450   3.922
  202   2HG   LYS  29           HG1      LYS  29  -8.067  -0.607   5.674
  203   1HD   LYS  29           HD2      LYS  29 -10.561  -0.225   4.036
  204   2HD   LYS  29           HD1      LYS  29  -9.834  -1.827   4.165
  205   1HE   LYS  29           HE2      LYS  29 -10.901  -2.061   6.134
  206   2HE   LYS  29           HE1      LYS  29  -9.833  -0.819   6.785
  207   1HZ   LYS  29           HZ3      LYS  29 -11.474   0.816   5.780
  208   2HZ   LYS  29           HZ2      LYS  29 -12.537  -0.501   5.638
  209   3HZ   LYS  29           HZ1      LYS  29 -11.973  -0.021   7.167
  210    H    THR  30           HN       THR  30  -7.037  -0.007   7.710
  211    HA   THR  30           HA       THR  30  -4.223   0.397   7.029
  212    HB   THR  30           HB       THR  30  -5.551  -1.716   8.748
  213    HG1  THR  30           HG1      THR  30  -5.616  -0.147  10.115
  214   1HG2  THR  30          HG22      THR  30  -2.844  -1.434   7.745
  215   2HG2  THR  30          HG21      THR  30  -2.867  -1.307   9.503
  216   3HG2  THR  30          HG23      THR  30  -3.537  -2.733   8.713
  217    H    TYR  31           HN       TYR  31  -2.925  -0.950   5.832
  218    HA   TYR  31           HA       TYR  31  -4.268  -3.211   4.433
  219   1HB   TYR  31           HB2      TYR  31  -2.236  -1.227   3.313
  220   2HB   TYR  31           HB1      TYR  31  -2.643  -2.743   2.565
  221    HD1  TYR  31           HD2      TYR  31  -4.993  -3.225   1.827
  222    HD2  TYR  31           HD1      TYR  31  -3.738   0.643   3.209
  223    HE1  TYR  31           HE2      TYR  31  -7.017  -2.209   0.818
  224    HE2  TYR  31           HE1      TYR  31  -5.763   1.660   2.202
  225    HH   TYR  31           HH       TYR  31  -7.986   1.013   1.499
  226    H    GLY  32           HN       GLY  32  -3.252  -5.146   4.688
  227   1HA   GLY  32           HA2      GLY  32  -1.514  -5.801   6.627
  228   2HA   GLY  32           HA1      GLY  32  -1.438  -6.651   5.101
  229    H    ASN  33           HN       ASN  33  -0.374  -4.801   3.377
  230    HA   ASN  33           HA       ASN  33   1.807  -3.361   4.549
  231   1HB   ASN  33           HB2      ASN  33   3.671  -4.756   3.667
  232   2HB   ASN  33           HB1      ASN  33   2.748  -5.564   4.925
  233   1HD2  ASN  33          HD22      ASN  33   3.012  -8.164   2.410
  234   2HD2  ASN  33          HD21      ASN  33   3.922  -7.452   3.650
  235    H    LYS  34           HN       LYS  34   3.616  -3.309   2.521
  236    HA   LYS  34           HA       LYS  34   2.667  -1.378   0.827
  237   1HB   LYS  34           HB2      LYS  34   4.600  -1.741  -0.540
  238   2HB   LYS  34           HB1      LYS  34   5.065  -2.194   1.101
  239   1HG   LYS  34           HG2      LYS  34   4.576  -4.573   0.571
  240   2HG   LYS  34           HG1      LYS  34   4.169  -4.102  -1.081
  241   1HD   LYS  34           HD2      LYS  34   6.742  -3.009  -0.328
  242   2HD   LYS  34           HD1      LYS  34   6.722  -4.759  -0.103
  243   1HE   LYS  34           HE2      LYS  34   7.323  -4.577  -2.354
  244   2HE   LYS  34           HE1      LYS  34   5.575  -4.774  -2.464
  245   1HZ   LYS  34           HZ3      LYS  34   6.483  -2.048  -2.129
  246   2HZ   LYS  34           HZ2      LYS  34   6.937  -2.772  -3.598
  247   3HZ   LYS  34           HZ1      LYS  34   5.297  -2.678  -3.165
  248    H    CYS  35           HN       CYS  35   2.539  -4.886   0.062
  249    HA   CYS  35           HA       CYS  35   1.501  -4.406  -2.555
  250   1HB   CYS  35           HB2      CYS  35   0.866  -6.857  -0.928
  251   2HB   CYS  35           HB1      CYS  35   1.136  -6.722  -2.658
  252    H    ASN  36           HN       ASN  36  -0.226  -5.751   0.258
  253    HA   ASN  36           HA       ASN  36  -2.826  -5.477  -0.633
  254   1HB   ASN  36           HB2      ASN  36  -1.711  -5.030   2.138
  255   2HB   ASN  36           HB1      ASN  36  -3.441  -5.098   1.799
  256   1HD2  ASN  36          HD22      ASN  36  -1.199  -8.528   1.523
  257   2HD2  ASN  36          HD21      ASN  36  -0.431  -7.020   1.596
  258    H    PHE  37           HN       PHE  37  -0.635  -2.871   0.194
  259    HA   PHE  37           HA       PHE  37  -2.790  -0.875   0.412
  260   1HB   PHE  37           HB2      PHE  37  -0.673  -0.575   1.631
  261   2HB   PHE  37           HB1      PHE  37   0.211  -0.509   0.247
  262    HD1  PHE  37           HD1      PHE  37  -2.974   1.089   1.256
  263    HD2  PHE  37           HD2      PHE  37   0.943   1.473  -0.352
  264    HE1  PHE  37           HE1      PHE  37  -3.390   3.525   0.885
  265    HE2  PHE  37           HE2      PHE  37   0.580   3.915  -0.715
  266    HZ   PHE  37           HZ       PHE  37  -1.597   4.935  -0.094
  267    H    CYS  38           HN       CYS  38  -0.199  -1.615  -1.754
  268    HA   CYS  38           HA       CYS  38  -0.690   0.327  -3.757
  269   1HB   CYS  38           HB2      CYS  38   0.861  -2.208  -3.584
  270   2HB   CYS  38           HB1      CYS  38   0.515  -1.581  -5.196
  271    H    ASN  39           HN       ASN  39  -1.475  -3.185  -3.936
  272    HA   ASN  39           HA       ASN  39  -2.860  -3.241  -6.313
  273   1HB   ASN  39           HB2      ASN  39  -4.574  -4.635  -4.530
  274   2HB   ASN  39           HB1      ASN  39  -3.343  -5.321  -5.580
  275   1HD2  ASN  39          HD22      ASN  39  -1.145  -6.037  -2.916
  276   2HD2  ASN  39          HD21      ASN  39  -1.423  -6.108  -4.588
  277    H    ALA  40           HN       ALA  40  -3.906  -1.745  -3.313
  278    HA   ALA  40           HA       ALA  40  -6.627  -1.231  -4.179
  279   1HB   ALA  40           HB1      ALA  40  -4.940  -0.621  -1.878
  280   2HB   ALA  40           HB3      ALA  40  -5.890   0.784  -2.366
  281   3HB   ALA  40           HB2      ALA  40  -6.698  -0.732  -1.965
  282    H    VAL  41           HN       VAL  41  -3.667   0.711  -3.986
  283    HA   VAL  41           HA       VAL  41  -4.540   3.099  -5.158
  284    HB   VAL  41           HB       VAL  41  -1.895   1.651  -5.461
  285   1HG1  VAL  41          HG11      VAL  41  -2.739   4.468  -6.159
  286   2HG1  VAL  41          HG13      VAL  41  -1.055   4.036  -5.869
  287   3HG1  VAL  41          HG12      VAL  41  -1.942   3.283  -7.193
  288   1HG2  VAL  41          HG22      VAL  41  -2.735   2.249  -3.139
  289   2HG2  VAL  41          HG21      VAL  41  -1.180   2.953  -3.580
  290   3HG2  VAL  41          HG23      VAL  41  -2.641   3.940  -3.627
  291    H    VAL  42           HN       VAL  42  -2.901   0.439  -6.903
  292    HA   VAL  42           HA       VAL  42  -3.399   1.455  -9.491
  293    HB   VAL  42           HB       VAL  42  -1.676  -0.156  -9.166
  294   1HG1  VAL  42          HG11      VAL  42  -3.808  -1.593  -7.695
  295   2HG1  VAL  42          HG13      VAL  42  -2.682  -2.602  -8.603
  296   3HG1  VAL  42          HG12      VAL  42  -2.078  -1.497  -7.368
  297   1HG2  VAL  42          HG23      VAL  42  -3.528  -0.378 -11.144
  298   2HG2  VAL  42          HG22      VAL  42  -2.051  -1.338 -11.064
  299   3HG2  VAL  42          HG21      VAL  42  -3.570  -2.004 -10.463
  300    H    GLU  43           HN       GLU  43  -5.558  -0.285  -7.347
  301    HA   GLU  43           HA       GLU  43  -7.317  -1.026  -9.605
  302   1HB   GLU  43           HB2      GLU  43  -6.838  -2.302  -7.262
  303   2HB   GLU  43           HB1      GLU  43  -8.273  -1.389  -6.818
  304   1HG   GLU  43           HG2      GLU  43  -9.243  -2.252  -9.063
  305   2HG   GLU  43           HG1      GLU  43  -7.944  -3.443  -8.990
  306    H    SER  44           HN       SER  44  -6.803   1.600  -7.527
  307    HA   SER  44           HA       SER  44  -9.630   2.493  -7.832
  308   1HB   SER  44           HB2      SER  44  -9.061   2.690  -5.561
  309   2HB   SER  44           HB1      SER  44  -7.420   3.215  -5.922
  310    HG   SER  44           HG       SER  44  -9.682   4.673  -5.618
  311    H    ASN  45           HN       ASN  45  -7.290   2.587  -9.839
  312    HA   ASN  45           HA       ASN  45  -6.794   4.078 -11.597
  313   1HB   ASN  45           HB2      ASN  45  -9.175   5.098 -10.660
  314   2HB   ASN  45           HB1      ASN  45  -8.068   6.437 -10.384
  315   1HD2  ASN  45          HD22      ASN  45  -9.300   6.789 -13.872
  316   2HD2  ASN  45          HD21      ASN  45  -9.994   6.851 -12.324
  317    H    GLY  46           HN       GLY  46  -5.909   4.204  -8.475
  318   1HA   GLY  46           HA2      GLY  46  -3.899   4.961  -7.540
  319   2HA   GLY  46           HA1      GLY  46  -3.558   5.855  -9.012
  320    H    THR  47           HN       THR  47  -6.681   6.309  -7.646
  321    HA   THR  47           HA       THR  47  -6.016   9.102  -7.005
  322    HB   THR  47           HB       THR  47  -8.169   8.437  -8.137
  323    HG1  THR  47           HG1      THR  47  -8.503  10.321  -7.256
  324   1HG2  THR  47          HG22      THR  47  -8.284   6.714  -5.803
  325   2HG2  THR  47          HG21      THR  47  -9.731   7.714  -5.926
  326   3HG2  THR  47          HG23      THR  47  -9.263   6.671  -7.269
  327    H    LEU  48           HN       LEU  48  -6.085   6.104  -5.389
  328    HA   LEU  48           HA       LEU  48  -6.776   7.145  -2.765
  329   1HB   LEU  48           HB2      LEU  48  -7.328   4.888  -2.977
  330   2HB   LEU  48           HB1      LEU  48  -5.903   4.528  -3.946
  331    HG   LEU  48           HG       LEU  48  -4.588   5.089  -1.741
  332   1HD1  LEU  48          HD13      LEU  48  -6.940   5.811  -0.770
  333   2HD1  LEU  48          HD12      LEU  48  -7.086   4.083  -0.441
  334   3HD1  LEU  48          HD11      LEU  48  -5.753   5.004   0.256
  335   1HD2  LEU  48          HD23      LEU  48  -5.822   2.707  -2.823
  336   2HD2  LEU  48          HD22      LEU  48  -4.244   2.894  -2.058
  337   3HD2  LEU  48          HD21      LEU  48  -5.672   2.589  -1.070
  338    H    THR  49           HN       THR  49  -5.298   7.509  -1.103
  339    HA   THR  49           HA       THR  49  -2.419   7.226  -1.667
  340    HB   THR  49           HB       THR  49  -2.083   9.417  -2.049
  341    HG1  THR  49           HG1      THR  49  -2.945  10.765  -0.070
  342   1HG2  THR  49          HG21      THR  49  -4.992   9.721  -1.313
  343   2HG2  THR  49          HG23      THR  49  -3.992  11.057  -1.886
  344   3HG2  THR  49          HG22      THR  49  -4.293   9.669  -2.932
  345    H    LEU  50           HN       LEU  50  -1.202   7.400   0.324
  346    HA   LEU  50           HA       LEU  50  -2.886   6.646   2.642
  347   1HB   LEU  50           HB2      LEU  50  -1.482   4.906   2.738
  348   2HB   LEU  50           HB1      LEU  50  -0.498   5.590   1.454
  349    HG   LEU  50           HG       LEU  50  -0.205   6.587   4.271
  350   1HD1  LEU  50          HD12      LEU  50   0.820   4.061   3.022
  351   2HD1  LEU  50          HD11      LEU  50   1.676   4.849   4.348
  352   3HD1  LEU  50          HD13      LEU  50   0.026   4.272   4.584
  353   1HD2  LEU  50          HD22      LEU  50   0.886   7.459   1.966
  354   2HD2  LEU  50          HD21      LEU  50   1.768   7.492   3.493
  355   3HD2  LEU  50          HD23      LEU  50   2.033   6.176   2.349
  356    H    SER  51           HN       SER  51  -1.999   7.315   4.827
  357    HA   SER  51           HA       SER  51  -1.113  10.160   4.658
  358   1HB   SER  51           HB2      SER  51  -3.294   9.112   5.982
  359   2HB   SER  51           HB1      SER  51  -2.081   9.073   7.219
  360    HG   SER  51           HG       SER  51  -3.050  11.072   7.278
  361    H    HIS  52           HN       HIS  52  -0.503   7.011   6.052
  362    HA   HIS  52           HA       HIS  52   2.251   7.764   6.691
  363   1HB   HIS  52           HB2      HIS  52   2.053   7.319   9.086
  364   2HB   HIS  52           HB1      HIS  52   0.942   8.613   8.636
  365    HD1  HIS  52           HD1      HIS  52   0.817   6.012  10.834
  366    HD2  HIS  52           HD2      HIS  52  -1.619   6.858   7.544
  367    HE1  HIS  52           HE1      HIS  52  -1.349   4.753  11.187
  368    H    PHE  53           HN       PHE  53   3.467   5.897   7.438
  369    HA   PHE  53           HA       PHE  53   2.554   3.404   6.226
  370   1HB   PHE  53           HB2      PHE  53   5.027   4.212   7.771
  371   2HB   PHE  53           HB1      PHE  53   4.752   2.550   7.250
  372    HD1  PHE  53           HD2      PHE  53   4.193   5.914   5.669
  373    HD2  PHE  53           HD1      PHE  53   6.002   2.031   5.357
  374    HE1  PHE  53           HE2      PHE  53   5.024   6.485   3.408
  375    HE2  PHE  53           HE1      PHE  53   6.837   2.602   3.094
  376    HZ   PHE  53           HZ       PHE  53   6.350   4.829   2.118
  377    H    GLY  54           HN       GLY  54   3.306   1.412   7.905
  378   1HA   GLY  54           HA2      GLY  54   2.661   0.178   9.787
  379   2HA   GLY  54           HA1      GLY  54   2.524   1.687  10.629
  380    H    LYS  55           HN       LYS  55   0.653   0.523  11.609
  381    HA   LYS  55           HA       LYS  55  -1.760   0.369   9.977
  382   1HB   LYS  55           HB2      LYS  55  -1.728  -1.420  11.428
  383   2HB   LYS  55           HB1      LYS  55  -0.773  -0.591  12.604
  384   1HG   LYS  55           HG2      LYS  55  -2.633  -0.609  13.796
  385   2HG   LYS  55           HG1      LYS  55  -3.027   0.813  12.871
  386   1HD   LYS  55           HD2      LYS  55  -4.955  -0.462  12.541
  387   2HD   LYS  55           HD1      LYS  55  -3.989  -0.946  11.148
  388   1HE   LYS  55           HE2      LYS  55  -4.447  -3.048  11.932
  389   2HE   LYS  55           HE1      LYS  55  -3.054  -2.711  12.961
  390   1HZ   LYS  55           HZ2      LYS  55  -5.483  -1.648  14.030
  391   2HZ   LYS  55           HZ1      LYS  55  -5.570  -3.330  13.810
  392   3HZ   LYS  55           HZ3      LYS  55  -4.334  -2.664  14.761
  393    H    CYS  56           HN       CYS  56  -3.697   1.431  10.986
  394    HA   CYS  56           HA       CYS  56  -3.155   4.264  11.339
  395   1HB   CYS  56           HB2      CYS  56  -5.654   2.580  11.301
  396   2HB   CYS  56           HB1      CYS  56  -5.717   4.287  11.741
   
  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   6.840  18.897   1.243
    2   2H    LEU   1           HT3      LEU   1   8.290  19.673   0.826
    3   3H    LEU   1           HT2      LEU   1   7.807  18.273  -0.007
    4    HA   LEU   1           HA       LEU   1   9.307  17.333   1.393
    5   1HB   LEU   1           HB2      LEU   1   9.125  19.844   2.641
    6   2HB   LEU   1           HB1      LEU   1   8.736  18.674   3.902
    7    HG   LEU   1           HG       LEU   1  10.892  17.550   2.494
    8   1HD1  LEU   1          HD11      LEU   1  10.940  20.466   2.386
    9   2HD1  LEU   1          HD13      LEU   1  12.341  19.815   3.235
   10   3HD1  LEU   1          HD12      LEU   1  11.993  19.302   1.584
   11   1HD2  LEU   1          HD23      LEU   1  10.173  17.807   5.048
   12   2HD2  LEU   1          HD22      LEU   1  11.850  17.484   4.603
   13   3HD2  LEU   1          HD21      LEU   1  11.342  19.127   4.998
   14    H    ALA   2           HN       ALA   2   9.007  16.155   3.703
   15    HA   ALA   2           HA       ALA   2   7.712  14.593   4.885
   16   1HB   ALA   2           HB3      ALA   2   6.471  16.963   5.225
   17   2HB   ALA   2           HB2      ALA   2   5.198  16.100   4.362
   18   3HB   ALA   2           HB1      ALA   2   5.828  15.455   5.877
   19    H    ALA   3           HN       ALA   3   4.857  14.063   4.324
   20    HA   ALA   3           HA       ALA   3   3.574  12.717   2.890
   21   1HB   ALA   3           HB3      ALA   3   4.090  14.680   1.325
   22   2HB   ALA   3           HB2      ALA   3   5.379  13.676   0.660
   23   3HB   ALA   3           HB1      ALA   3   3.701  13.145   0.546
   24    H    VAL   4           HN       VAL   4   3.705  10.542   2.393
   25    HA   VAL   4           HA       VAL   4   6.239   9.399   1.436
   26    HB   VAL   4           HB       VAL   4   6.512   9.522   3.914
   27   1HG1  VAL   4          HG13      VAL   4   3.824   8.815   3.937
   28   2HG1  VAL   4          HG12      VAL   4   4.645   7.347   4.472
   29   3HG1  VAL   4          HG11      VAL   4   4.893   8.863   5.339
   30   1HG2  VAL   4          HG21      VAL   4   6.408   6.947   2.394
   31   2HG2  VAL   4          HG23      VAL   4   7.799   7.788   3.078
   32   3HG2  VAL   4          HG22      VAL   4   6.717   6.873   4.128
   33    H    SER   5           HN       SER   5   5.064   8.632  -0.348
   34    HA   SER   5           HA       SER   5   2.833   6.736   0.243
   35   1HB   SER   5           HB2      SER   5   2.491   6.985  -2.320
   36   2HB   SER   5           HB1      SER   5   2.041   8.344  -1.293
   37    HG   SER   5           HG       SER   5   3.862   8.234  -3.253
   38    H    VAL   6           HN       VAL   6   2.846   5.058  -1.850
   39    HA   VAL   6           HA       VAL   6   5.631   3.996  -2.023
   40    HB   VAL   6           HB       VAL   6   3.156   2.294  -1.615
   41   1HG1  VAL   6          HG13      VAL   6   5.535   1.592  -2.727
   42   2HG1  VAL   6          HG12      VAL   6   5.892   1.318  -1.021
   43   3HG1  VAL   6          HG11      VAL   6   4.539   0.484  -1.784
   44   1HG2  VAL   6          HG21      VAL   6   4.853   3.749   0.280
   45   2HG2  VAL   6          HG23      VAL   6   3.311   2.936   0.552
   46   3HG2  VAL   6          HG22      VAL   6   4.813   2.016   0.602
   47    H    ASP   7           HN       ASP   7   6.197   3.272  -4.059
   48    HA   ASP   7           HA       ASP   7   4.516   3.942  -6.298
   49   1HB   ASP   7           HB2      ASP   7   6.951   3.927  -6.513
   50   2HB   ASP   7           HB1      ASP   7   6.998   2.204  -6.141
   51    H    CYS   8           HN       CYS   8   3.193   2.605  -7.561
   52    HA   CYS   8           HA       CYS   8   3.092  -0.285  -6.923
   53   1HB   CYS   8           HB2      CYS   8   0.615   1.449  -6.870
   54   2HB   CYS   8           HB1      CYS   8   0.757  -0.245  -6.410
   55    H    SER   9           HN       SER   9   4.103   0.406  -9.255
   56    HA   SER   9           HA       SER   9   1.958   0.703 -11.267
   57   1HB   SER   9           HB2      SER   9   4.661   1.450 -11.162
   58   2HB   SER   9           HB1      SER   9   4.599   0.142 -12.340
   59    HG   SER   9           HG       SER   9   3.701   2.689 -12.525
   60    H    GLU  10           HN       GLU  10   3.174  -1.820  -9.524
   61    HA   GLU  10           HA       GLU  10   2.798  -3.727 -11.800
   62   1HB   GLU  10           HB2      GLU  10   4.295  -4.402  -9.274
   63   2HB   GLU  10           HB1      GLU  10   4.405  -5.168 -10.859
   64   1HG   GLU  10           HG2      GLU  10   6.228  -3.868 -11.185
   65   2HG   GLU  10           HG1      GLU  10   5.087  -2.540 -11.398
   66    H    TYR  11           HN       TYR  11   0.688  -2.617 -10.064
   67    HA   TYR  11           HA       TYR  11  -0.149  -5.110  -8.699
   68   1HB   TYR  11           HB2      TYR  11  -0.661  -2.204  -8.019
   69   2HB   TYR  11           HB1      TYR  11  -1.533  -3.533  -7.256
   70    HD1  TYR  11           HD2      TYR  11   1.795  -1.992  -7.749
   71    HD2  TYR  11           HD1      TYR  11  -0.448  -4.999  -5.655
   72    HE1  TYR  11           HE2      TYR  11   3.716  -2.363  -6.229
   73    HE2  TYR  11           HE1      TYR  11   1.483  -5.376  -4.135
   74    HH   TYR  11           HH       TYR  11   3.453  -4.200  -3.347
   75    HA   PRO  12           HA       PRO  12  -2.150  -5.236  -7.521
   76   1HB   PRO  12           HB2      PRO  12  -3.861  -7.368  -7.846
   77   2HB   PRO  12           HB1      PRO  12  -4.408  -5.726  -7.456
   78   1HG   PRO  12           HG2      PRO  12  -4.518  -7.173 -10.076
   79   2HG   PRO  12           HG1      PRO  12  -5.604  -5.927  -9.436
   80   1HD   PRO  12           HD2      PRO  12  -3.571  -5.472 -11.322
   81   2HD   PRO  12           HD1      PRO  12  -4.380  -4.243 -10.377
   82    H    LYS  13           HN       LYS  13  -1.537  -7.466  -6.678
   83    HA   LYS  13           HA       LYS  13  -0.038  -9.052  -8.721
   84   1HB   LYS  13           HB2      LYS  13   1.085  -8.976  -5.982
   85   2HB   LYS  13           HB1      LYS  13   1.906  -8.949  -7.542
   86   1HG   LYS  13           HG2      LYS  13   0.666  -6.520  -7.583
   87   2HG   LYS  13           HG1      LYS  13   0.997  -6.701  -5.860
   88   1HD   LYS  13           HD2      LYS  13   2.984  -6.816  -8.139
   89   2HD   LYS  13           HD1      LYS  13   2.924  -5.640  -6.826
   90   1HE   LYS  13           HE2      LYS  13   3.037  -8.060  -5.484
   91   2HE   LYS  13           HE1      LYS  13   4.099  -8.324  -6.867
   92   1HZ   LYS  13           HZ1      LYS  13   4.632  -5.775  -5.915
   93   2HZ   LYS  13           HZ3      LYS  13   4.564  -6.783  -4.552
   94   3HZ   LYS  13           HZ2      LYS  13   5.632  -7.145  -5.823
   95    HA   PRO  14           HA       PRO  14  -2.273 -12.389  -6.916
   96   1HB   PRO  14           HB2      PRO  14  -0.773 -14.446  -7.944
   97   2HB   PRO  14           HB1      PRO  14  -1.931 -13.500  -8.896
   98   1HG   PRO  14           HG2      PRO  14   1.049 -13.376  -8.895
   99   2HG   PRO  14           HG1      PRO  14  -0.088 -12.988 -10.195
  100   1HD   PRO  14           HD2      PRO  14   1.246 -11.120  -8.591
  101   2HD   PRO  14           HD1      PRO  14  -0.149 -10.781  -9.586
  102    H    ALA  15           HN       ALA  15   0.421 -11.301  -5.585
  103    HA   ALA  15           HA       ALA  15   0.324 -12.947  -3.276
  104   1HB   ALA  15           HB3      ALA  15   2.017 -13.961  -5.467
  105   2HB   ALA  15           HB2      ALA  15   2.835 -13.854  -3.907
  106   3HB   ALA  15           HB1      ALA  15   1.360 -14.808  -4.067
  107    H    CYS  16           HN       CYS  16   1.667 -12.129  -1.634
  108    HA   CYS  16           HA       CYS  16   3.486  -9.894  -2.446
  109   1HB   CYS  16           HB2      CYS  16   1.436  -9.039  -1.324
  110   2HB   CYS  16           HB1      CYS  16   1.786 -10.070   0.059
  111    H    THR  17           HN       THR  17   5.284  -9.540  -0.905
  112    HA   THR  17           HA       THR  17   6.612 -11.962  -0.181
  113    HB   THR  17           HB       THR  17   8.269 -10.563   0.867
  114    HG1  THR  17           HG1      THR  17   6.378  -8.461   0.747
  115   1HG2  THR  17          HG21      THR  17   7.108  -9.870  -1.697
  116   2HG2  THR  17          HG23      THR  17   7.865  -8.466  -0.946
  117   3HG2  THR  17          HG22      THR  17   8.805  -9.933  -1.221
  118    H    LEU  18           HN       LEU  18   7.462 -11.080   2.529
  119    HA   LEU  18           HA       LEU  18   4.932 -11.653   4.006
  120   1HB   LEU  18           HB2      LEU  18   6.355 -13.021   5.594
  121   2HB   LEU  18           HB1      LEU  18   6.177 -13.721   3.984
  122    HG   LEU  18           HG       LEU  18   8.420 -11.934   3.962
  123   1HD1  LEU  18          HD11      LEU  18   8.178 -13.747   6.336
  124   2HD1  LEU  18          HD13      LEU  18   9.759 -13.550   5.580
  125   3HD1  LEU  18          HD12      LEU  18   8.908 -12.145   6.223
  126   1HD2  LEU  18          HD23      LEU  18   7.710 -14.221   2.739
  127   2HD2  LEU  18          HD22      LEU  18   9.392 -13.702   2.850
  128   3HD2  LEU  18          HD21      LEU  18   8.761 -14.896   3.984
  129    H    GLU  19           HN       GLU  19   7.837  -9.766   3.788
  130    HA   GLU  19           HA       GLU  19   8.182  -8.957   6.446
  131   1HB   GLU  19           HB2      GLU  19   9.196  -6.946   5.585
  132   2HB   GLU  19           HB1      GLU  19   9.609  -8.256   4.482
  133   1HG   GLU  19           HG2      GLU  19   7.145  -7.180   3.571
  134   2HG   GLU  19           HG1      GLU  19   8.201  -5.821   3.925
  135    H    TYR  20           HN       TYR  20   6.877  -7.915   7.805
  136    HA   TYR  20           HA       TYR  20   4.277  -6.985   6.767
  137   1HB   TYR  20           HB2      TYR  20   4.359  -8.475   8.735
  138   2HB   TYR  20           HB1      TYR  20   5.175  -7.207   9.646
  139    HD1  TYR  20           HD2      TYR  20   2.290  -7.252   7.230
  140    HD2  TYR  20           HD1      TYR  20   3.706  -6.190  11.147
  141    HE1  TYR  20           HE2      TYR  20   0.088  -6.224   7.746
  142    HE2  TYR  20           HE1      TYR  20   1.507  -5.167  11.663
  143    HH   TYR  20           HH       TYR  20  -1.242  -5.730   9.900
  144    H    ARG  21           HN       ARG  21   3.953  -5.010   6.302
  145    HA   ARG  21           HA       ARG  21   4.924  -2.790   7.973
  146   1HB   ARG  21           HB2      ARG  21   5.402  -2.472   5.033
  147   2HB   ARG  21           HB1      ARG  21   6.249  -1.728   6.389
  148   1HG   ARG  21           HG2      ARG  21   7.122  -4.092   6.914
  149   2HG   ARG  21           HG1      ARG  21   6.563  -4.527   5.299
  150   1HD   ARG  21           HD2      ARG  21   8.736  -3.877   4.817
  151   2HD   ARG  21           HD1      ARG  21   7.899  -2.337   4.616
  152    HE   ARG  21           HE       ARG  21   9.376  -3.087   7.111
  153   1HH1  ARG  21          HH21      ARG  21   9.521  -1.108   4.439
  154   2HH1  ARG  21          HH22      ARG  21   9.689   0.379   5.311
  155   1HH2  ARG  21          HH11      ARG  21   9.028  -1.049   8.400
  156   2HH2  ARG  21          HH12      ARG  21   9.405   0.413   7.552
  157    HA   PRO  22           HA       PRO  22   0.619  -2.629   6.391
  158   1HB   PRO  22           HB2      PRO  22  -0.311  -1.432   8.718
  159   2HB   PRO  22           HB1      PRO  22  -0.237  -3.190   8.440
  160   1HG   PRO  22           HG2      PRO  22   1.587  -1.438  10.048
  161   2HG   PRO  22           HG1      PRO  22   1.142  -3.135  10.309
  162   1HD   PRO  22           HD2      PRO  22   3.563  -2.329   9.223
  163   2HD   PRO  22           HD1      PRO  22   2.828  -3.921   8.938
  164    H    LEU  23           HN       LEU  23  -0.131  -0.916   5.178
  165    HA   LEU  23           HA       LEU  23   0.852   1.789   6.006
  166   1HB   LEU  23           HB2      LEU  23   0.084   0.912   3.214
  167   2HB   LEU  23           HB1      LEU  23   0.935   2.384   3.687
  168    HG   LEU  23           HG       LEU  23   2.235  -0.038   4.680
  169   1HD1  LEU  23          HD12      LEU  23   1.146  -0.535   2.304
  170   2HD1  LEU  23          HD11      LEU  23   2.559   0.360   1.746
  171   3HD1  LEU  23          HD13      LEU  23   2.766  -1.098   2.714
  172   1HD2  LEU  23          HD23      LEU  23   3.045   2.415   4.501
  173   2HD2  LEU  23          HD22      LEU  23   4.179   1.134   4.069
  174   3HD2  LEU  23          HD21      LEU  23   3.344   2.038   2.804
  175    H    CYS  24           HN       CYS  24  -0.783   3.081   6.716
  176    HA   CYS  24           HA       CYS  24  -3.561   2.267   6.258
  177   1HB   CYS  24           HB2      CYS  24  -2.582   3.445   8.394
  178   2HB   CYS  24           HB1      CYS  24  -2.806   4.919   7.471
  179    H    GLY  25           HN       GLY  25  -4.647   2.838   4.469
  180   1HA   GLY  25           HA2      GLY  25  -3.606   4.598   2.497
  181   2HA   GLY  25           HA1      GLY  25  -5.201   4.010   2.543
  182    H    SER  26           HN       SER  26  -5.851   6.180   1.788
  183    HA   SER  26           HA       SER  26  -5.717   8.309   3.843
  184   1HB   SER  26           HB2      SER  26  -7.278   9.365   1.885
  185   2HB   SER  26           HB1      SER  26  -5.529   9.440   1.864
  186    HG   SER  26           HG       SER  26  -7.303   7.760   0.472
  187    H    ASP  27           HN       ASP  27  -8.036   6.159   2.251
  188    HA   ASP  27           HA       ASP  27 -10.419   7.199   3.414
  189   1HB   ASP  27           HB2      ASP  27 -11.151   4.693   3.231
  190   2HB   ASP  27           HB1      ASP  27 -10.787   5.578   1.750
  191    H    ASN  28           HN       ASN  28  -7.725   5.578   4.760
  192    HA   ASN  28           HA       ASN  28  -7.271   5.487   7.113
  193   1HB   ASN  28           HB2      ASN  28  -9.588   6.716   7.372
  194   2HB   ASN  28           HB1      ASN  28 -10.172   5.097   7.761
  195   1HD2  ASN  28          HD22      ASN  28  -7.215   6.568  10.221
  196   2HD2  ASN  28          HD21      ASN  28  -7.114   6.853   8.550
  197    H    LYS  29           HN       LYS  29  -7.896   3.354   4.992
  198    HA   LYS  29           HA       LYS  29  -8.608   1.106   6.787
  199   1HB   LYS  29           HB2      LYS  29  -9.596   1.496   4.421
  200   2HB   LYS  29           HB1      LYS  29  -8.055   0.869   3.838
  201   1HG   LYS  29           HG2      LYS  29  -8.497  -1.041   5.566
  202   2HG   LYS  29           HG1      LYS  29 -10.170  -0.499   5.457
  203   1HD   LYS  29           HD2      LYS  29  -8.820  -0.807   2.852
  204   2HD   LYS  29           HD1      LYS  29  -9.026  -2.313   3.749
  205   1HE   LYS  29           HE2      LYS  29 -11.458  -1.632   4.087
  206   2HE   LYS  29           HE1      LYS  29 -11.172  -0.356   2.903
  207   1HZ   LYS  29           HZ2      LYS  29 -10.434  -3.135   2.276
  208   2HZ   LYS  29           HZ1      LYS  29 -12.052  -2.637   2.122
  209   3HZ   LYS  29           HZ3      LYS  29 -10.839  -1.867   1.221
  210    H    THR  30           HN       THR  30  -7.026  -0.155   7.584
  211    HA   THR  30           HA       THR  30  -4.241   0.358   6.883
  212    HB   THR  30           HB       THR  30  -5.564  -1.659   8.715
  213    HG1  THR  30           HG1      THR  30  -5.503   0.080   9.883
  214   1HG2  THR  30          HG23      THR  30  -2.661  -1.270   7.978
  215   2HG2  THR  30          HG22      THR  30  -3.133  -1.962   9.529
  216   3HG2  THR  30          HG21      THR  30  -3.585  -2.772   8.030
  217    H    TYR  31           HN       TYR  31  -2.900  -0.933   5.639
  218    HA   TYR  31           HA       TYR  31  -4.193  -3.272   4.319
  219   1HB   TYR  31           HB2      TYR  31  -2.331  -1.166   3.190
  220   2HB   TYR  31           HB1      TYR  31  -2.374  -2.775   2.532
  221    HD1  TYR  31           HD2      TYR  31  -4.629  -3.758   1.793
  222    HD2  TYR  31           HD1      TYR  31  -4.025   0.402   2.673
  223    HE1  TYR  31           HE2      TYR  31  -6.701  -3.193   0.552
  224    HE2  TYR  31           HE1      TYR  31  -6.095   0.966   1.431
  225    HH   TYR  31           HH       TYR  31  -8.135  -0.064   0.697
  226    H    GLY  32           HN       GLY  32  -3.210  -5.189   4.675
  227   1HA   GLY  32           HA2      GLY  32  -1.490  -5.850   6.607
  228   2HA   GLY  32           HA1      GLY  32  -1.398  -6.700   5.075
  229    H    ASN  33           HN       ASN  33  -0.257  -4.913   3.366
  230    HA   ASN  33           HA       ASN  33   1.918  -3.494   4.606
  231   1HB   ASN  33           HB2      ASN  33   3.777  -4.896   3.777
  232   2HB   ASN  33           HB1      ASN  33   2.790  -5.739   4.957
  233   1HD2  ASN  33          HD22      ASN  33   3.118  -8.281   2.410
  234   2HD2  ASN  33          HD21      ASN  33   3.934  -7.637   3.749
  235    H    LYS  34           HN       LYS  34   3.765  -3.511   2.555
  236    HA   LYS  34           HA       LYS  34   2.853  -1.529   0.886
  237   1HB   LYS  34           HB2      LYS  34   4.787  -1.917  -0.491
  238   2HB   LYS  34           HB1      LYS  34   5.234  -2.296   1.173
  239   1HG   LYS  34           HG2      LYS  34   4.868  -4.689   0.755
  240   2HG   LYS  34           HG1      LYS  34   4.351  -4.333  -0.894
  241   1HD   LYS  34           HD2      LYS  34   7.005  -3.275  -0.044
  242   2HD   LYS  34           HD1      LYS  34   6.879  -5.010  -0.333
  243   1HE   LYS  34           HE2      LYS  34   7.112  -4.555  -2.530
  244   2HE   LYS  34           HE1      LYS  34   5.495  -3.850  -2.469
  245   1HZ   LYS  34           HZ2      LYS  34   7.520  -2.091  -1.460
  246   2HZ   LYS  34           HZ1      LYS  34   7.787  -2.522  -3.082
  247   3HZ   LYS  34           HZ3      LYS  34   6.319  -1.804  -2.627
  248    H    CYS  35           HN       CYS  35   2.646  -5.024   0.091
  249    HA   CYS  35           HA       CYS  35   1.658  -4.468  -2.541
  250   1HB   CYS  35           HB2      CYS  35   1.011  -6.958  -0.977
  251   2HB   CYS  35           HB1      CYS  35   1.285  -6.779  -2.704
  252    H    ASN  36           HN       ASN  36  -0.091  -5.836   0.259
  253    HA   ASN  36           HA       ASN  36  -2.681  -5.573  -0.649
  254   1HB   ASN  36           HB2      ASN  36  -1.608  -5.059   2.127
  255   2HB   ASN  36           HB1      ASN  36  -3.331  -5.147   1.760
  256   1HD2  ASN  36          HD22      ASN  36  -1.068  -8.568   1.601
  257   2HD2  ASN  36          HD21      ASN  36  -0.307  -7.054   1.643
  258    H    PHE  37           HN       PHE  37  -0.525  -2.943   0.288
  259    HA   PHE  37           HA       PHE  37  -2.688  -0.950   0.380
  260   1HB   PHE  37           HB2      PHE  37  -0.598  -0.659   1.665
  261   2HB   PHE  37           HB1      PHE  37   0.313  -0.567   0.306
  262    HD1  PHE  37           HD1      PHE  37  -2.860   1.058   1.358
  263    HD2  PHE  37           HD2      PHE  37   1.025   1.384  -0.355
  264    HE1  PHE  37           HE1      PHE  37  -3.238   3.501   1.004
  265    HE2  PHE  37           HE2      PHE  37   0.690   3.829  -0.703
  266    HZ   PHE  37           HZ       PHE  37  -1.454   4.883  -0.020
  267    H    CYS  38           HN       CYS  38  -0.046  -1.760  -1.681
  268    HA   CYS  38           HA       CYS  38  -0.347   0.174  -3.699
  269   1HB   CYS  38           HB2      CYS  38   0.902  -2.527  -3.556
  270   2HB   CYS  38           HB1      CYS  38   0.658  -1.816  -5.149
  271    H    ASN  39           HN       ASN  39  -2.005  -2.957  -3.373
  272    HA   ASN  39           HA       ASN  39  -3.184  -2.897  -5.979
  273   1HB   ASN  39           HB2      ASN  39  -4.977  -4.027  -3.961
  274   2HB   ASN  39           HB1      ASN  39  -4.212  -4.804  -5.339
  275   1HD2  ASN  39          HD22      ASN  39  -1.722  -6.347  -3.391
  276   2HD2  ASN  39          HD21      ASN  39  -2.440  -6.176  -4.919
  277    H    ALA  40           HN       ALA  40  -4.227  -1.579  -2.850
  278    HA   ALA  40           HA       ALA  40  -6.761  -0.559  -3.715
  279   1HB   ALA  40           HB3      ALA  40  -4.832   0.312  -1.543
  280   2HB   ALA  40           HB2      ALA  40  -6.413   1.059  -1.774
  281   3HB   ALA  40           HB1      ALA  40  -6.298  -0.650  -1.359
  282    H    VAL  41           HN       VAL  41  -3.486   0.487  -4.149
  283    HA   VAL  41           HA       VAL  41  -4.169   3.221  -4.922
  284    HB   VAL  41           HB       VAL  41  -1.641   1.575  -5.184
  285   1HG1  VAL  41          HG12      VAL  41  -2.177   4.495  -5.796
  286   2HG1  VAL  41          HG11      VAL  41  -0.564   3.805  -5.626
  287   3HG1  VAL  41          HG13      VAL  41  -1.624   3.258  -6.925
  288   1HG2  VAL  41          HG21      VAL  41  -2.652   2.357  -2.903
  289   2HG2  VAL  41          HG23      VAL  41  -0.939   2.638  -3.216
  290   3HG2  VAL  41          HG22      VAL  41  -2.098   3.955  -3.402
  291    H    VAL  42           HN       VAL  42  -3.184   0.266  -6.656
  292    HA   VAL  42           HA       VAL  42  -3.437   1.562  -9.234
  293    HB   VAL  42           HB       VAL  42  -1.765  -0.128  -9.020
  294   1HG1  VAL  42          HG11      VAL  42  -3.967  -1.626  -7.676
  295   2HG1  VAL  42          HG13      VAL  42  -2.768  -2.561  -8.568
  296   3HG1  VAL  42          HG12      VAL  42  -2.259  -1.510  -7.247
  297   1HG2  VAL  42          HG23      VAL  42  -3.553  -0.122 -11.009
  298   2HG2  VAL  42          HG22      VAL  42  -2.226  -1.283 -10.938
  299   3HG2  VAL  42          HG21      VAL  42  -3.838  -1.749 -10.393
  300    H    GLU  43           HN       GLU  43  -5.677   0.281  -7.060
  301    HA   GLU  43           HA       GLU  43  -7.510  -0.684  -9.168
  302   1HB   GLU  43           HB2      GLU  43  -9.035  -1.050  -7.160
  303   2HB   GLU  43           HB1      GLU  43  -7.597  -2.037  -7.179
  304   1HG   GLU  43           HG2      GLU  43  -7.125  -1.240  -5.173
  305   2HG   GLU  43           HG1      GLU  43  -6.937   0.371  -5.865
  306    H    SER  44           HN       SER  44  -7.032   1.976  -6.937
  307    HA   SER  44           HA       SER  44  -9.567   3.251  -7.720
  308   1HB   SER  44           HB2      SER  44  -9.194   4.729  -5.955
  309   2HB   SER  44           HB1      SER  44  -8.358   3.291  -5.380
  310    HG   SER  44           HG       SER  44  -6.514   4.289  -5.600
  311    H    ASN  45           HN       ASN  45  -7.242   2.825  -9.655
  312    HA   ASN  45           HA       ASN  45  -6.460   4.060 -11.505
  313   1HB   ASN  45           HB2      ASN  45  -8.712   5.458 -10.785
  314   2HB   ASN  45           HB1      ASN  45  -7.455   6.666 -10.550
  315   1HD2  ASN  45          HD22      ASN  45  -8.566   5.660 -14.296
  316   2HD2  ASN  45          HD21      ASN  45  -9.359   5.054 -12.923
  317    H    GLY  46           HN       GLY  46  -5.594   4.302  -8.406
  318   1HA   GLY  46           HA2      GLY  46  -3.490   4.887  -7.520
  319   2HA   GLY  46           HA1      GLY  46  -3.087   5.700  -9.022
  320    H    THR  47           HN       THR  47  -6.149   6.481  -7.714
  321    HA   THR  47           HA       THR  47  -5.189   9.195  -7.064
  322    HB   THR  47           HB       THR  47  -7.324   8.711  -8.385
  323    HG1  THR  47           HG1      THR  47  -6.898  10.709  -7.342
  324   1HG2  THR  47          HG22      THR  47  -7.853   6.970  -6.346
  325   2HG2  THR  47          HG21      THR  47  -8.805   8.370  -5.855
  326   3HG2  THR  47          HG23      THR  47  -9.079   7.626  -7.430
  327    H    LEU  48           HN       LEU  48  -5.405   6.307  -5.439
  328    HA   LEU  48           HA       LEU  48  -6.472   7.289  -2.917
  329   1HB   LEU  48           HB2      LEU  48  -6.850   5.018  -3.102
  330   2HB   LEU  48           HB1      LEU  48  -5.379   4.742  -4.026
  331    HG   LEU  48           HG       LEU  48  -4.140   5.279  -1.795
  332   1HD1  LEU  48          HD12      LEU  48  -6.754   5.772  -0.982
  333   2HD1  LEU  48          HD11      LEU  48  -6.390   4.185  -0.304
  334   3HD1  LEU  48          HD13      LEU  48  -5.359   5.564   0.077
  335   1HD2  LEU  48          HD22      LEU  48  -4.873   2.978  -3.034
  336   2HD2  LEU  48          HD21      LEU  48  -3.896   3.032  -1.567
  337   3HD2  LEU  48          HD23      LEU  48  -5.635   2.755  -1.459
  338    H    THR  49           HN       THR  49  -5.235   7.808  -1.104
  339    HA   THR  49           HA       THR  49  -2.283   7.794  -1.408
  340    HB   THR  49           HB       THR  49  -2.030  10.036  -0.968
  341    HG1  THR  49           HG1      THR  49  -3.405  11.182   0.318
  342   1HG2  THR  49          HG23      THR  49  -3.661   9.532  -2.964
  343   2HG2  THR  49          HG22      THR  49  -4.821  10.380  -1.940
  344   3HG2  THR  49          HG21      THR  49  -3.341  11.191  -2.461
  345    H    LEU  50           HN       LEU  50  -1.252   7.498   0.562
  346    HA   LEU  50           HA       LEU  50  -3.054   6.581   2.709
  347   1HB   LEU  50           HB2      LEU  50  -1.521   4.980   3.059
  348   2HB   LEU  50           HB1      LEU  50  -0.721   5.551   1.605
  349    HG   LEU  50           HG       LEU  50  -0.050   7.012   4.110
  350   1HD1  LEU  50          HD13      LEU  50   0.729   4.168   3.527
  351   2HD1  LEU  50          HD12      LEU  50   1.523   5.189   4.723
  352   3HD1  LEU  50          HD11      LEU  50  -0.174   4.746   4.923
  353   1HD2  LEU  50          HD22      LEU  50   1.046   6.467   1.477
  354   2HD2  LEU  50          HD21      LEU  50   1.550   7.681   2.653
  355   3HD2  LEU  50          HD23      LEU  50   2.209   6.047   2.735
  356    H    SER  51           HN       SER  51  -2.197   7.044   5.021
  357    HA   SER  51           HA       SER  51  -1.615   9.967   5.157
  358   1HB   SER  51           HB2      SER  51  -3.700   8.591   6.325
  359   2HB   SER  51           HB1      SER  51  -2.518   8.558   7.579
  360    HG   SER  51           HG       SER  51  -3.235  10.494   7.964
  361    H    HIS  52           HN       HIS  52  -0.477   6.808   5.924
  362    HA   HIS  52           HA       HIS  52   2.129   7.680   6.700
  363   1HB   HIS  52           HB2      HIS  52   2.031   7.251   9.108
  364   2HB   HIS  52           HB1      HIS  52   0.858   8.496   8.689
  365    HD1  HIS  52           HD1      HIS  52   0.755   6.130  11.034
  366    HD2  HIS  52           HD2      HIS  52  -1.506   6.390   7.525
  367    HE1  HIS  52           HE1      HIS  52  -1.276   4.653  11.361
  368    H    PHE  53           HN       PHE  53   3.469   5.868   7.245
  369    HA   PHE  53           HA       PHE  53   2.594   3.344   6.159
  370   1HB   PHE  53           HB2      PHE  53   5.032   4.242   7.692
  371   2HB   PHE  53           HB1      PHE  53   4.779   2.534   7.330
  372    HD1  PHE  53           HD2      PHE  53   4.125   5.699   5.439
  373    HD2  PHE  53           HD1      PHE  53   6.073   1.872   5.498
  374    HE1  PHE  53           HE2      PHE  53   4.924   6.072   3.129
  375    HE2  PHE  53           HE1      PHE  53   6.878   2.246   3.181
  376    HZ   PHE  53           HZ       PHE  53   6.303   4.348   1.995
  377    H    GLY  54           HN       GLY  54   3.452   1.425   8.007
  378   1HA   GLY  54           HA2      GLY  54   2.635   0.170   9.795
  379   2HA   GLY  54           HA1      GLY  54   2.497   1.681  10.647
  380    H    LYS  55           HN       LYS  55   0.546   0.383  11.481
  381    HA   LYS  55           HA       LYS  55  -1.775   0.413   9.736
  382   1HB   LYS  55           HB2      LYS  55  -1.716  -1.503  11.075
  383   2HB   LYS  55           HB1      LYS  55  -1.005  -0.646  12.423
  384   1HG   LYS  55           HG2      LYS  55  -2.969   0.130  13.197
  385   2HG   LYS  55           HG1      LYS  55  -3.670   0.194  11.595
  386   1HD   LYS  55           HD2      LYS  55  -3.259  -2.500  11.901
  387   2HD   LYS  55           HD1      LYS  55  -3.687  -2.006  13.538
  388   1HE   LYS  55           HE2      LYS  55  -5.623  -0.695  12.337
  389   2HE   LYS  55           HE1      LYS  55  -5.318  -1.834  11.023
  390   1HZ   LYS  55           HZ2      LYS  55  -5.405  -3.568  12.925
  391   2HZ   LYS  55           HZ1      LYS  55  -6.265  -2.362  13.757
  392   3HZ   LYS  55           HZ3      LYS  55  -6.854  -2.958  12.283
  393    H    CYS  56           HN       CYS  56  -3.693   1.585  10.507
  394    HA   CYS  56           HA       CYS  56  -3.112   4.297  11.259
  395   1HB   CYS  56           HB2      CYS  56  -5.480   2.729  10.543
  396   2HB   CYS  56           HB1      CYS  56  -5.814   3.971  11.752
   
  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           HT1      LEU   1   7.318  17.528   2.765
    2   2H    LEU   1           HT3      LEU   1   5.729  16.941   2.677
    3   3H    LEU   1           HT2      LEU   1   6.063  18.352   3.562
    4    HA   LEU   1           HA       LEU   1   7.184  17.186   5.244
    5   1HB   LEU   1           HB2      LEU   1   4.535  16.336   4.363
    6   2HB   LEU   1           HB1      LEU   1   5.359  15.076   5.284
    7    HG   LEU   1           HG       LEU   1   4.061  16.597   6.757
    8   1HD1  LEU   1          HD12      LEU   1   6.716  15.744   7.048
    9   2HD1  LEU   1          HD11      LEU   1   6.726  17.423   7.583
   10   3HD1  LEU   1          HD13      LEU   1   5.635  16.263   8.340
   11   1HD2  LEU   1          HD21      LEU   1   5.826  18.631   5.404
   12   2HD2  LEU   1          HD23      LEU   1   4.087  18.693   5.689
   13   3HD2  LEU   1          HD22      LEU   1   5.209  18.930   7.029
   14    H    ALA   2           HN       ALA   2   9.021  16.499   3.543
   15    HA   ALA   2           HA       ALA   2  10.574  14.782   3.116
   16   1HB   ALA   2           HB3      ALA   2   9.426  13.913   5.367
   17   2HB   ALA   2           HB2      ALA   2   8.772  12.696   4.271
   18   3HB   ALA   2           HB1      ALA   2  10.518  12.887   4.438
   19    H    ALA   3           HN       ALA   3   9.996  12.082   2.394
   20    HA   ALA   3           HA       ALA   3   8.214  12.483   0.021
   21   1HB   ALA   3           HB2      ALA   3  11.009  11.874   0.101
   22   2HB   ALA   3           HB1      ALA   3  10.154  10.460  -0.518
   23   3HB   ALA   3           HB3      ALA   3   9.966  12.023  -1.313
   24    H    VAL   4           HN       VAL   4   6.799  11.529   1.938
   25    HA   VAL   4           HA       VAL   4   7.114   8.625   2.286
   26    HB   VAL   4           HB       VAL   4   5.067  10.630   3.266
   27   1HG1  VAL   4          HG12      VAL   4   4.770   7.795   2.916
   28   2HG1  VAL   4          HG11      VAL   4   4.856   8.148   4.642
   29   3HG1  VAL   4          HG13      VAL   4   3.636   8.935   3.642
   30   1HG2  VAL   4          HG22      VAL   4   7.187   8.944   4.639
   31   2HG2  VAL   4          HG21      VAL   4   7.250  10.688   4.385
   32   3HG2  VAL   4          HG23      VAL   4   6.042   9.998   5.470
   33    H    SER   5           HN       SER   5   6.737   7.681   0.259
   34    HA   SER   5           HA       SER   5   3.930   7.537  -0.564
   35   1HB   SER   5           HB2      SER   5   4.741   8.110  -3.009
   36   2HB   SER   5           HB1      SER   5   4.295   9.407  -1.904
   37    HG   SER   5           HG       SER   5   6.618   8.997  -3.095
   38    H    VAL   6           HN       VAL   6   3.579   5.760  -2.057
   39    HA   VAL   6           HA       VAL   6   5.965   3.992  -2.404
   40    HB   VAL   6           HB       VAL   6   3.140   3.083  -1.783
   41   1HG1  VAL   6          HG13      VAL   6   5.737   1.725  -2.389
   42   2HG1  VAL   6          HG12      VAL   6   4.659   0.973  -1.214
   43   3HG1  VAL   6          HG11      VAL   6   4.100   1.271  -2.859
   44   1HG2  VAL   6          HG21      VAL   6   5.598   3.372  -0.032
   45   2HG2  VAL   6          HG23      VAL   6   4.032   4.153   0.187
   46   3HG2  VAL   6          HG22      VAL   6   4.189   2.412   0.423
   47    H    ASP   7           HN       ASP   7   6.184   3.117  -4.450
   48    HA   ASP   7           HA       ASP   7   4.306   4.076  -6.508
   49   1HB   ASP   7           HB2      ASP   7   6.880   4.011  -6.717
   50   2HB   ASP   7           HB1      ASP   7   6.686   2.277  -6.979
   51    H    CYS   8           HN       CYS   8   2.766   2.808  -7.469
   52    HA   CYS   8           HA       CYS   8   2.894  -0.131  -6.996
   53   1HB   CYS   8           HB2      CYS   8   0.327   1.453  -6.880
   54   2HB   CYS   8           HB1      CYS   8   0.606  -0.205  -6.358
   55    H    SER   9           HN       SER   9   3.788   0.836  -9.361
   56    HA   SER   9           HA       SER   9   1.542   0.913 -11.279
   57   1HB   SER   9           HB2      SER   9   4.020   2.113 -11.261
   58   2HB   SER   9           HB1      SER   9   4.275   0.761 -12.359
   59    HG   SER   9           HG       SER   9   2.205   2.706 -12.492
   60    H    GLU  10           HN       GLU  10   2.891  -1.532  -9.663
   61    HA   GLU  10           HA       GLU  10   2.872  -3.344 -12.048
   62   1HB   GLU  10           HB2      GLU  10   4.423  -3.596  -9.453
   63   2HB   GLU  10           HB1      GLU  10   4.348  -4.849 -10.692
   64   1HG   GLU  10           HG2      GLU  10   6.203  -3.813 -11.513
   65   2HG   GLU  10           HG1      GLU  10   5.039  -2.679 -12.197
   66    H    TYR  11           HN       TYR  11   1.007  -2.410  -9.537
   67    HA   TYR  11           HA       TYR  11   0.167  -5.067  -8.667
   68   1HB   TYR  11           HB2      TYR  11  -0.753  -2.272  -7.935
   69   2HB   TYR  11           HB1      TYR  11  -1.356  -3.745  -7.176
   70    HD1  TYR  11           HD2      TYR  11   1.587  -1.565  -7.632
   71    HD2  TYR  11           HD1      TYR  11   0.056  -5.076  -5.686
   72    HE1  TYR  11           HE2      TYR  11   3.580  -1.617  -6.158
   73    HE2  TYR  11           HE1      TYR  11   2.061  -5.126  -4.213
   74    HH   TYR  11           HH       TYR  11   4.538  -2.579  -4.404
   75    HA   PRO  12           HA       PRO  12  -1.881  -5.449  -7.601
   76   1HB   PRO  12           HB2      PRO  12  -3.311  -7.752  -8.100
   77   2HB   PRO  12           HB1      PRO  12  -4.069  -6.202  -7.689
   78   1HG   PRO  12           HG2      PRO  12  -3.868  -7.547 -10.353
   79   2HG   PRO  12           HG1      PRO  12  -5.115  -6.447  -9.743
   80   1HD   PRO  12           HD2      PRO  12  -3.028  -5.724 -11.482
   81   2HD   PRO  12           HD1      PRO  12  -4.033  -4.614 -10.584
   82    H    LYS  13           HN       LYS  13  -0.432  -6.948  -6.790
   83    HA   LYS  13           HA       LYS  13   1.366  -8.254  -8.711
   84   1HB   LYS  13           HB2      LYS  13   1.539  -7.259  -6.048
   85   2HB   LYS  13           HB1      LYS  13   1.887  -8.984  -5.980
   86   1HG   LYS  13           HG2      LYS  13   3.461  -8.556  -7.981
   87   2HG   LYS  13           HG1      LYS  13   3.310  -6.850  -7.568
   88   1HD   LYS  13           HD2      LYS  13   4.410  -7.097  -5.540
   89   2HD   LYS  13           HD1      LYS  13   3.956  -8.795  -5.385
   90   1HE   LYS  13           HE2      LYS  13   6.130  -9.140  -6.009
   91   2HE   LYS  13           HE1      LYS  13   5.468  -8.922  -7.631
   92   1HZ   LYS  13           HZ1      LYS  13   5.944  -6.390  -6.614
   93   2HZ   LYS  13           HZ3      LYS  13   7.323  -7.307  -6.247
   94   3HZ   LYS  13           HZ2      LYS  13   6.791  -7.182  -7.856
   95    HA   PRO  14           HA       PRO  14  -0.646 -12.188  -8.359
   96   1HB   PRO  14           HB2      PRO  14   1.376 -13.700  -9.449
   97   2HB   PRO  14           HB1      PRO  14   0.282 -12.687 -10.409
   98   1HG   PRO  14           HG2      PRO  14   3.132 -12.203  -9.677
   99   2HG   PRO  14           HG1      PRO  14   2.220 -11.621 -11.080
  100   1HD   PRO  14           HD2      PRO  14   2.862 -10.102  -8.803
  101   2HD   PRO  14           HD1      PRO  14   1.654  -9.679 -10.003
  102    H    ALA  15           HN       ALA  15   1.500 -11.105  -6.282
  103    HA   ALA  15           HA       ALA  15   1.327 -13.287  -4.450
  104   1HB   ALA  15           HB1      ALA  15   3.900 -12.997  -6.005
  105   2HB   ALA  15           HB3      ALA  15   3.873 -13.700  -4.388
  106   3HB   ALA  15           HB2      ALA  15   2.970 -14.463  -5.698
  107    H    CYS  16           HN       CYS  16   1.118 -12.043  -2.654
  108    HA   CYS  16           HA       CYS  16   2.615  -9.498  -2.486
  109   1HB   CYS  16           HB2      CYS  16   0.483 -10.677  -0.675
  110   2HB   CYS  16           HB1      CYS  16   1.210  -9.085  -0.480
  111    H    THR  17           HN       THR  17   4.232  -9.109  -1.004
  112    HA   THR  17           HA       THR  17   5.842 -11.191  -0.041
  113    HB   THR  17           HB       THR  17   6.495  -9.368   1.760
  114    HG1  THR  17           HG1      THR  17   5.738  -7.373   1.288
  115   1HG2  THR  17          HG22      THR  17   7.787  -9.992  -0.280
  116   2HG2  THR  17          HG21      THR  17   6.826  -8.838  -1.206
  117   3HG2  THR  17          HG23      THR  17   7.885  -8.268   0.085
  118    H    LEU  18           HN       LEU  18   6.221 -11.406   2.536
  119    HA   LEU  18           HA       LEU  18   3.508 -11.819   3.716
  120   1HB   LEU  18           HB2      LEU  18   4.765 -13.747   4.982
  121   2HB   LEU  18           HB1      LEU  18   4.222 -14.014   3.324
  122    HG   LEU  18           HG       LEU  18   6.912 -12.795   3.630
  123   1HD1  LEU  18          HD12      LEU  18   6.154 -15.393   4.830
  124   2HD1  LEU  18          HD11      LEU  18   7.575 -15.433   3.786
  125   3HD1  LEU  18          HD13      LEU  18   7.534 -14.350   5.177
  126   1HD2  LEU  18          HD23      LEU  18   5.572 -13.639   1.513
  127   2HD2  LEU  18          HD22      LEU  18   7.313 -13.903   1.618
  128   3HD2  LEU  18          HD21      LEU  18   6.199 -15.214   2.000
  129    H    GLU  19           HN       GLU  19   6.633 -10.446   4.120
  130    HA   GLU  19           HA       GLU  19   6.931 -10.442   6.921
  131   1HB   GLU  19           HB2      GLU  19   8.287  -8.453   6.615
  132   2HB   GLU  19           HB1      GLU  19   8.588  -9.530   5.252
  133   1HG   GLU  19           HG2      GLU  19   6.336  -7.703   4.793
  134   2HG   GLU  19           HG1      GLU  19   7.866  -6.868   5.048
  135    H    TYR  20           HN       TYR  20   6.744  -7.902   7.853
  136    HA   TYR  20           HA       TYR  20   3.919  -7.135   7.354
  137   1HB   TYR  20           HB2      TYR  20   4.163  -8.537   9.434
  138   2HB   TYR  20           HB1      TYR  20   5.059  -7.196  10.142
  139    HD1  TYR  20           HD2      TYR  20   2.124  -7.115   7.806
  140    HD2  TYR  20           HD1      TYR  20   3.586  -6.313  11.770
  141    HE1  TYR  20           HE2      TYR  20  -0.014  -5.986   8.361
  142    HE2  TYR  20           HE1      TYR  20   1.445  -5.191  12.326
  143    HH   TYR  20           HH       TYR  20  -0.423  -3.985  10.922
  144    H    ARG  21           HN       ARG  21   3.795  -5.193   6.798
  145    HA   ARG  21           HA       ARG  21   5.101  -2.975   8.171
  146   1HB   ARG  21           HB2      ARG  21   5.662  -3.296   5.208
  147   2HB   ARG  21           HB1      ARG  21   6.381  -2.136   6.326
  148   1HG   ARG  21           HG2      ARG  21   7.431  -4.041   7.558
  149   2HG   ARG  21           HG1      ARG  21   6.799  -5.140   6.331
  150   1HD   ARG  21           HD2      ARG  21   9.202  -4.371   5.980
  151   2HD   ARG  21           HD1      ARG  21   8.118  -4.123   4.611
  152    HE   ARG  21           HE       ARG  21   7.941  -1.724   5.372
  153   1HH1  ARG  21          HH21      ARG  21   9.304  -2.099   8.028
  154   2HH1  ARG  21          HH22      ARG  21  10.899  -1.509   7.696
  155   1HH2  ARG  21          HH11      ARG  21  10.531  -1.673   4.251
  156   2HH2  ARG  21          HH12      ARG  21  11.594  -1.270   5.557
  157    HA   PRO  22           HA       PRO  22   0.860  -2.670   6.398
  158   1HB   PRO  22           HB2      PRO  22  -0.163  -1.410   8.645
  159   2HB   PRO  22           HB1      PRO  22  -0.142  -3.171   8.389
  160   1HG   PRO  22           HG2      PRO  22   1.656  -1.475  10.084
  161   2HG   PRO  22           HG1      PRO  22   1.122  -3.146  10.340
  162   1HD   PRO  22           HD2      PRO  22   3.634  -2.461   9.390
  163   2HD   PRO  22           HD1      PRO  22   2.849  -4.025   9.083
  164    H    LEU  23           HN       LEU  23   0.125  -0.981   5.205
  165    HA   LEU  23           HA       LEU  23   1.167   1.729   5.927
  166   1HB   LEU  23           HB2      LEU  23   0.372   0.834   3.150
  167   2HB   LEU  23           HB1      LEU  23   1.320   2.251   3.609
  168    HG   LEU  23           HG       LEU  23   2.577  -0.076   4.708
  169   1HD1  LEU  23          HD13      LEU  23   1.337  -1.238   2.859
  170   2HD1  LEU  23          HD12      LEU  23   2.184  -0.203   1.710
  171   3HD1  LEU  23          HD11      LEU  23   3.092  -1.336   2.712
  172   1HD2  LEU  23          HD22      LEU  23   3.244   2.035   2.667
  173   2HD2  LEU  23          HD21      LEU  23   3.903   1.817   4.288
  174   3HD2  LEU  23          HD23      LEU  23   4.367   0.714   2.992
  175    H    CYS  24           HN       CYS  24  -0.355   3.398   5.917
  176    HA   CYS  24           HA       CYS  24  -3.178   2.504   5.984
  177   1HB   CYS  24           HB2      CYS  24  -2.682   3.751   7.901
  178   2HB   CYS  24           HB1      CYS  24  -1.623   4.834   7.029
  179    H    GLY  25           HN       GLY  25  -4.796   4.045   5.006
  180   1HA   GLY  25           HA2      GLY  25  -3.830   5.234   2.423
  181   2HA   GLY  25           HA1      GLY  25  -5.214   4.275   2.545
  182    H    SER  26           HN       SER  26  -5.283   6.946   1.589
  183    HA   SER  26           HA       SER  26  -6.059   8.787   3.663
  184   1HB   SER  26           HB2      SER  26  -7.445   9.611   1.409
  185   2HB   SER  26           HB1      SER  26  -5.809  10.102   1.827
  186    HG   SER  26           HG       SER  26  -6.680   8.587  -0.203
  187    H    ASP  27           HN       ASP  27  -7.744   6.285   1.902
  188    HA   ASP  27           HA       ASP  27 -10.434   7.055   2.401
  189   1HB   ASP  27           HB2      ASP  27 -10.737   4.424   2.476
  190   2HB   ASP  27           HB1      ASP  27 -10.307   5.230   0.967
  191    H    ASN  28           HN       ASN  28  -7.978   6.090   4.560
  192    HA   ASN  28           HA       ASN  28  -8.093   6.237   6.927
  193   1HB   ASN  28           HB2      ASN  28 -10.485   7.257   6.434
  194   2HB   ASN  28           HB1      ASN  28 -11.027   5.662   6.958
  195   1HD2  ASN  28          HD22      ASN  28 -10.690   6.592  10.328
  196   2HD2  ASN  28          HD21      ASN  28 -11.565   5.751   9.141
  197    H    LYS  29           HN       LYS  29  -7.711   3.869   5.240
  198    HA   LYS  29           HA       LYS  29  -8.686   1.825   7.194
  199   1HB   LYS  29           HB2      LYS  29  -7.878   0.767   4.577
  200   2HB   LYS  29           HB1      LYS  29  -9.307   0.409   5.541
  201   1HG   LYS  29           HG2      LYS  29  -9.998   2.856   4.799
  202   2HG   LYS  29           HG1      LYS  29  -8.901   2.503   3.467
  203   1HD   LYS  29           HD2      LYS  29 -10.970   0.474   4.249
  204   2HD   LYS  29           HD1      LYS  29 -11.438   1.850   3.249
  205   1HE   LYS  29           HE2      LYS  29  -8.971   0.733   2.256
  206   2HE   LYS  29           HE1      LYS  29 -10.182  -0.542   2.399
  207   1HZ   LYS  29           HZ3      LYS  29 -11.718   1.179   1.288
  208   2HZ   LYS  29           HZ2      LYS  29 -10.274   1.932   0.802
  209   3HZ   LYS  29           HZ1      LYS  29 -10.605   0.336   0.325
  210    H    THR  30           HN       THR  30  -7.176  -0.255   6.705
  211    HA   THR  30           HA       THR  30  -4.347   0.728   6.836
  212    HB   THR  30           HB       THR  30  -5.761  -1.391   8.481
  213    HG1  THR  30           HG1      THR  30  -5.771   0.241   9.773
  214   1HG2  THR  30          HG22      THR  30  -2.776  -0.886   8.228
  215   2HG2  THR  30          HG21      THR  30  -3.530  -1.946   9.418
  216   3HG2  THR  30          HG23      THR  30  -3.630  -2.337   7.703
  217    H    TYR  31           HN       TYR  31  -2.770  -1.004   6.246
  218    HA   TYR  31           HA       TYR  31  -3.896  -3.137   4.537
  219   1HB   TYR  31           HB2      TYR  31  -2.044  -0.925   3.627
  220   2HB   TYR  31           HB1      TYR  31  -1.961  -2.514   2.909
  221    HD1  TYR  31           HD2      TYR  31  -3.951  -3.508   1.772
  222    HD2  TYR  31           HD1      TYR  31  -3.952   0.510   3.276
  223    HE1  TYR  31           HE2      TYR  31  -5.981  -3.012   0.440
  224    HE2  TYR  31           HE1      TYR  31  -5.988   1.007   1.952
  225    HH   TYR  31           HH       TYR  31  -7.558  -1.519  -0.012
  226    H    GLY  32           HN       GLY  32  -2.622  -5.037   4.616
  227   1HA   GLY  32           HA2      GLY  32  -1.023  -5.324   6.924
  228   2HA   GLY  32           HA1      GLY  32  -1.092  -6.503   5.629
  229    H    ASN  33           HN       ASN  33  -0.024  -4.851   3.538
  230    HA   ASN  33           HA       ASN  33   2.521  -3.805   4.516
  231   1HB   ASN  33           HB2      ASN  33   3.919  -5.411   3.229
  232   2HB   ASN  33           HB1      ASN  33   3.040  -6.179   4.543
  233   1HD2  ASN  33          HD22      ASN  33   2.513  -8.351   1.603
  234   2HD2  ASN  33          HD21      ASN  33   3.810  -7.915   2.605
  235    H    LYS  34           HN       LYS  34   3.956  -3.912   2.137
  236    HA   LYS  34           HA       LYS  34   2.819  -1.734   0.718
  237   1HB   LYS  34           HB2      LYS  34   4.636  -2.046  -0.859
  238   2HB   LYS  34           HB1      LYS  34   5.256  -2.393   0.755
  239   1HG   LYS  34           HG2      LYS  34   4.694  -4.848   0.305
  240   2HG   LYS  34           HG1      LYS  34   4.440  -4.378  -1.377
  241   1HD   LYS  34           HD2      LYS  34   6.997  -3.800   0.139
  242   2HD   LYS  34           HD1      LYS  34   6.768  -5.222  -0.881
  243   1HE   LYS  34           HE2      LYS  34   7.588  -3.864  -2.521
  244   2HE   LYS  34           HE1      LYS  34   5.929  -3.262  -2.574
  245   1HZ   LYS  34           HZ3      LYS  34   8.047  -2.127  -0.830
  246   2HZ   LYS  34           HZ2      LYS  34   7.654  -1.506  -2.362
  247   3HZ   LYS  34           HZ1      LYS  34   6.501  -1.491  -1.114
  248    H    CYS  35           HN       CYS  35   2.551  -5.220   0.156
  249    HA   CYS  35           HA       CYS  35   1.448  -4.910  -2.494
  250   1HB   CYS  35           HB2      CYS  35   2.480  -7.026  -1.483
  251   2HB   CYS  35           HB1      CYS  35   0.934  -7.246  -0.669
  252    H    ASN  36           HN       ASN  36   0.024  -5.401   0.724
  253    HA   ASN  36           HA       ASN  36  -2.687  -5.474  -0.192
  254   1HB   ASN  36           HB2      ASN  36  -1.946  -4.260   2.460
  255   2HB   ASN  36           HB1      ASN  36  -3.327  -5.270   2.060
  256   1HD2  ASN  36          HD22      ASN  36  -0.596  -8.032   1.821
  257   2HD2  ASN  36          HD21      ASN  36  -1.277  -7.132   0.563
  258    H    PHE  37           HN       PHE  37  -0.622  -2.782   0.903
  259    HA   PHE  37           HA       PHE  37  -2.594  -0.726   0.656
  260   1HB   PHE  37           HB2      PHE  37  -0.356  -0.529   1.813
  261   2HB   PHE  37           HB1      PHE  37   0.390  -0.346   0.349
  262    HD1  PHE  37           HD1      PHE  37  -2.685   1.064   1.869
  263    HD2  PHE  37           HD2      PHE  37   0.893   1.676  -0.352
  264    HE1  PHE  37           HE1      PHE  37  -3.270   3.475   1.634
  265    HE2  PHE  37           HE2      PHE  37   0.351   4.093  -0.595
  266    HZ   PHE  37           HZ       PHE  37  -1.740   4.985   0.401
  267    H    CYS  38           HN       CYS  38   0.087  -1.508  -1.457
  268    HA   CYS  38           HA       CYS  38  -0.480   0.276  -3.546
  269   1HB   CYS  38           HB2      CYS  38   0.958  -2.341  -3.404
  270   2HB   CYS  38           HB1      CYS  38   0.578  -1.683  -4.991
  271    H    ASN  39           HN       ASN  39  -1.532  -3.142  -3.314
  272    HA   ASN  39           HA       ASN  39  -2.979  -3.364  -5.652
  273   1HB   ASN  39           HB2      ASN  39  -3.207  -4.498  -2.921
  274   2HB   ASN  39           HB1      ASN  39  -4.646  -4.627  -3.919
  275   1HD2  ASN  39          HD22      ASN  39  -1.869  -7.299  -4.540
  276   2HD2  ASN  39          HD21      ASN  39  -2.177  -6.494  -3.085
  277    H    ALA  40           HN       ALA  40  -3.918  -1.636  -2.697
  278    HA   ALA  40           HA       ALA  40  -6.607  -1.052  -3.574
  279   1HB   ALA  40           HB1      ALA  40  -5.786  -0.885  -1.194
  280   2HB   ALA  40           HB3      ALA  40  -4.894   0.562  -1.660
  281   3HB   ALA  40           HB2      ALA  40  -6.655   0.544  -1.750
  282    H    VAL  41           HN       VAL  41  -3.512   0.656  -3.765
  283    HA   VAL  41           HA       VAL  41  -4.438   3.070  -4.950
  284    HB   VAL  41           HB       VAL  41  -1.798   1.620  -5.311
  285   1HG1  VAL  41          HG12      VAL  41  -2.435   3.468  -6.997
  286   2HG1  VAL  41          HG11      VAL  41  -2.299   4.581  -5.636
  287   3HG1  VAL  41          HG13      VAL  41  -0.897   3.643  -6.152
  288   1HG2  VAL  41          HG22      VAL  41  -2.721   3.757  -3.368
  289   2HG2  VAL  41          HG21      VAL  41  -2.280   2.097  -2.971
  290   3HG2  VAL  41          HG23      VAL  41  -1.050   3.224  -3.542
  291    H    VAL  42           HN       VAL  42  -2.896   0.293  -6.613
  292    HA   VAL  42           HA       VAL  42  -3.480   1.207  -9.219
  293    HB   VAL  42           HB       VAL  42  -1.765  -0.474  -8.710
  294   1HG1  VAL  42          HG13      VAL  42  -4.157  -2.032  -7.779
  295   2HG1  VAL  42          HG12      VAL  42  -2.742  -2.883  -8.401
  296   3HG1  VAL  42          HG11      VAL  42  -2.588  -1.823  -7.000
  297   1HG2  VAL  42          HG23      VAL  42  -3.696  -0.573 -10.788
  298   2HG2  VAL  42          HG22      VAL  42  -2.022  -1.128 -10.834
  299   3HG2  VAL  42          HG21      VAL  42  -3.306  -2.237 -10.349
  300    H    GLU  43           HN       GLU  43  -5.541  -0.380  -6.890
  301    HA   GLU  43           HA       GLU  43  -7.458  -1.147  -9.013
  302   1HB   GLU  43           HB2      GLU  43  -6.880  -2.336  -6.617
  303   2HB   GLU  43           HB1      GLU  43  -8.293  -1.385  -6.190
  304   1HG   GLU  43           HG2      GLU  43  -8.889  -2.515  -8.692
  305   2HG   GLU  43           HG1      GLU  43  -8.135  -3.809  -7.762
  306    H    SER  44           HN       SER  44  -6.731   1.466  -6.949
  307    HA   SER  44           HA       SER  44  -9.509   2.517  -7.138
  308   1HB   SER  44           HB2      SER  44  -8.348   2.533  -4.905
  309   2HB   SER  44           HB1      SER  44  -7.151   3.626  -5.590
  310    HG   SER  44           HG       SER  44  -8.784   5.113  -5.962
  311    H    ASN  45           HN       ASN  45  -7.015   2.449  -9.118
  312    HA   ASN  45           HA       ASN  45  -6.306   3.780 -10.865
  313   1HB   ASN  45           HB2      ASN  45  -7.813   5.183 -11.832
  314   2HB   ASN  45           HB1      ASN  45  -8.917   4.349 -10.769
  315   1HD2  ASN  45          HD22      ASN  45  -9.975   7.458  -9.546
  316   2HD2  ASN  45          HD21      ASN  45 -10.386   5.942 -10.185
  317    H    GLY  46           HN       GLY  46  -5.796   4.298  -7.826
  318   1HA   GLY  46           HA2      GLY  46  -3.961   5.425  -6.884
  319   2HA   GLY  46           HA1      GLY  46  -3.833   6.422  -8.316
  320    H    THR  47           HN       THR  47  -6.968   6.140  -6.868
  321    HA   THR  47           HA       THR  47  -6.889   8.996  -6.156
  322    HB   THR  47           HB       THR  47  -9.201   8.858  -5.785
  323    HG1  THR  47           HG1      THR  47  -9.760   7.362  -4.450
  324   1HG2  THR  47          HG22      THR  47  -8.227   7.012  -7.892
  325   2HG2  THR  47          HG21      THR  47  -9.934   6.892  -7.476
  326   3HG2  THR  47          HG23      THR  47  -9.264   8.427  -8.025
  327    H    LEU  48           HN       LEU  48  -6.181   6.018  -4.667
  328    HA   LEU  48           HA       LEU  48  -6.751   6.823  -1.931
  329   1HB   LEU  48           HB2      LEU  48  -6.782   4.528  -1.988
  330   2HB   LEU  48           HB1      LEU  48  -5.731   4.460  -3.394
  331    HG   LEU  48           HG       LEU  48  -3.813   5.100  -1.792
  332   1HD1  LEU  48          HD11      LEU  48  -5.979   5.333  -0.028
  333   2HD1  LEU  48          HD13      LEU  48  -5.118   3.875   0.468
  334   3HD1  LEU  48          HD12      LEU  48  -4.264   5.416   0.374
  335   1HD2  LEU  48          HD21      LEU  48  -4.643   2.733  -2.702
  336   2HD2  LEU  48          HD23      LEU  48  -3.327   2.862  -1.535
  337   3HD2  LEU  48          HD22      LEU  48  -4.956   2.464  -0.987
  338    H    THR  49           HN       THR  49  -4.955   7.066  -0.344
  339    HA   THR  49           HA       THR  49  -2.299   7.632  -1.381
  340    HB   THR  49           HB       THR  49  -2.236   9.923  -0.513
  341    HG1  THR  49           HG1      THR  49  -3.882  10.746   0.495
  342   1HG2  THR  49          HG22      THR  49  -2.767   9.362  -2.898
  343   2HG2  THR  49          HG21      THR  49  -4.473   9.556  -2.496
  344   3HG2  THR  49          HG23      THR  49  -3.376  10.931  -2.369
  345    H    LEU  50           HN       LEU  50  -0.957   6.940   0.074
  346    HA   LEU  50           HA       LEU  50  -1.686   5.983   2.644
  347   1HB   LEU  50           HB2      LEU  50   0.237   5.045   1.602
  348   2HB   LEU  50           HB1      LEU  50   0.920   6.626   1.251
  349    HG   LEU  50           HG       LEU  50   0.809   6.747   3.963
  350   1HD1  LEU  50          HD12      LEU  50   0.605   3.929   3.161
  351   2HD1  LEU  50          HD11      LEU  50   1.949   4.260   4.254
  352   3HD1  LEU  50          HD13      LEU  50   0.304   4.676   4.730
  353   1HD2  LEU  50          HD21      LEU  50   2.910   5.661   2.083
  354   2HD2  LEU  50          HD23      LEU  50   2.796   7.283   2.767
  355   3HD2  LEU  50          HD22      LEU  50   3.240   5.920   3.795
  356    H    SER  51           HN       SER  51  -1.427   6.982   4.691
  357    HA   SER  51           HA       SER  51  -0.892   9.922   4.591
  358   1HB   SER  51           HB2      SER  51  -3.119   8.661   5.658
  359   2HB   SER  51           HB1      SER  51  -2.082   8.814   7.035
  360    HG   SER  51           HG       SER  51  -1.904  11.033   6.599
  361    H    HIS  52           HN       HIS  52   0.149   6.873   5.726
  362    HA   HIS  52           HA       HIS  52   2.638   7.822   6.730
  363   1HB   HIS  52           HB2      HIS  52   2.295   7.445   9.136
  364   2HB   HIS  52           HB1      HIS  52   1.199   8.700   8.560
  365    HD1  HIS  52           HD1      HIS  52   0.933   6.229  10.874
  366    HD2  HIS  52           HD2      HIS  52  -1.206   6.801   7.329
  367    HE1  HIS  52           HE1      HIS  52  -1.214   4.906  11.104
  368    H    PHE  53           HN       PHE  53   3.872   5.996   7.693
  369    HA   PHE  53           HA       PHE  53   3.118   3.476   6.440
  370   1HB   PHE  53           HB2      PHE  53   5.410   4.294   8.239
  371   2HB   PHE  53           HB1      PHE  53   5.202   2.643   7.654
  372    HD1  PHE  53           HD2      PHE  53   5.526   6.178   6.530
  373    HD2  PHE  53           HD1      PHE  53   5.865   2.032   5.457
  374    HE1  PHE  53           HE2      PHE  53   6.551   6.823   4.371
  375    HE2  PHE  53           HE1      PHE  53   6.897   2.678   3.295
  376    HZ   PHE  53           HZ       PHE  53   7.240   5.074   2.751
  377    H    GLY  54           HN       GLY  54   3.467   1.445   8.039
  378   1HA   GLY  54           HA2      GLY  54   2.691   0.249   9.912
  379   2HA   GLY  54           HA1      GLY  54   2.436   1.775  10.723
  380    H    LYS  55           HN       LYS  55   0.439   0.596  11.432
  381    HA   LYS  55           HA       LYS  55  -1.694   0.424   9.396
  382   1HB   LYS  55           HB2      LYS  55  -2.693   0.054  12.069
  383   2HB   LYS  55           HB1      LYS  55  -2.576  -1.128  10.770
  384   1HG   LYS  55           HG2      LYS  55  -0.190  -1.526  11.396
  385   2HG   LYS  55           HG1      LYS  55  -0.398  -0.424  12.759
  386   1HD   LYS  55           HD2      LYS  55  -2.276  -2.746  12.389
  387   2HD   LYS  55           HD1      LYS  55  -0.710  -2.982  13.166
  388   1HE   LYS  55           HE2      LYS  55  -2.775  -0.936  14.027
  389   2HE   LYS  55           HE1      LYS  55  -2.514  -2.494  14.812
  390   1HZ   LYS  55           HZ2      LYS  55  -0.025  -1.452  14.690
  391   2HZ   LYS  55           HZ1      LYS  55  -0.972  -0.072  14.983
  392   3HZ   LYS  55           HZ3      LYS  55  -1.043  -1.391  16.049
  393    H    CYS  56           HN       CYS  56  -3.507   1.796   9.384
  394    HA   CYS  56           HA       CYS  56  -3.088   4.466  10.404
  395   1HB   CYS  56           HB2      CYS  56  -4.703   3.301   8.451
  396   2HB   CYS  56           HB1      CYS  56  -5.847   3.859   9.672
   
  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   4.743  12.261   8.810
    2   2H    LEU   1           HT1      LEU   1   5.589  13.322   9.831
    3   3H    LEU   1           HT3      LEU   1   3.893  13.319   9.832
    4    HA   LEU   1           HA       LEU   1   3.807  14.194   7.624
    5   1HB   LEU   1           HB2      LEU   1   5.498  15.553   9.687
    6   2HB   LEU   1           HB1      LEU   1   5.381  16.288   8.088
    7    HG   LEU   1           HG       LEU   1   2.775  15.758   8.498
    8   1HD1  LEU   1          HD12      LEU   1   4.107  15.682  11.151
    9   2HD1  LEU   1          HD11      LEU   1   2.645  16.662  11.051
   10   3HD1  LEU   1          HD13      LEU   1   2.588  14.951  10.632
   11   1HD2  LEU   1          HD22      LEU   1   4.217  17.978   8.184
   12   2HD2  LEU   1          HD21      LEU   1   2.540  18.053   8.725
   13   3HD2  LEU   1          HD23      LEU   1   3.852  18.176   9.898
   14    H    ALA   2           HN       ALA   2   4.842  12.688   6.138
   15    HA   ALA   2           HA       ALA   2   7.475  13.694   5.223
   16   1HB   ALA   2           HB3      ALA   2   7.504  11.523   6.815
   17   2HB   ALA   2           HB2      ALA   2   7.183  10.731   5.271
   18   3HB   ALA   2           HB1      ALA   2   8.628  11.723   5.471
   19    H    ALA   3           HN       ALA   3   7.692  11.321   3.426
   20    HA   ALA   3           HA       ALA   3   5.899  12.328   1.325
   21   1HB   ALA   3           HB1      ALA   3   8.323  11.692   0.934
   22   2HB   ALA   3           HB3      ALA   3   7.846  10.012   1.174
   23   3HB   ALA   3           HB2      ALA   3   7.176  10.935  -0.172
   24    H    VAL   4           HN       VAL   4   3.826  11.579   1.398
   25    HA   VAL   4           HA       VAL   4   3.313   8.817   2.340
   26    HB   VAL   4           HB       VAL   4   0.873   9.583   1.981
   27   1HG1  VAL   4          HG11      VAL   4   2.687   9.906   4.089
   28   2HG1  VAL   4          HG13      VAL   4   1.886  11.470   3.954
   29   3HG1  VAL   4          HG12      VAL   4   0.930  10.008   4.197
   30   1HG2  VAL   4          HG21      VAL   4   1.888  11.575   0.541
   31   2HG2  VAL   4          HG23      VAL   4   0.432  11.815   1.508
   32   3HG2  VAL   4          HG22      VAL   4   1.995  12.359   2.117
   33    H    SER   5           HN       SER   5   4.301   7.807   0.434
   34    HA   SER   5           HA       SER   5   2.348   7.285  -1.648
   35   1HB   SER   5           HB2      SER   5   3.400   8.287  -3.505
   36   2HB   SER   5           HB1      SER   5   3.501   9.532  -2.262
   37    HG   SER   5           HG       SER   5   5.504   7.672  -3.036
   38    H    VAL   6           HN       VAL   6   2.655   5.159  -2.098
   39    HA   VAL   6           HA       VAL   6   5.360   4.024  -1.599
   40    HB   VAL   6           HB       VAL   6   3.032   3.190  -0.561
   41   1HG1  VAL   6          HG13      VAL   6   2.252   2.723  -2.997
   42   2HG1  VAL   6          HG12      VAL   6   3.300   1.310  -2.901
   43   3HG1  VAL   6          HG11      VAL   6   1.955   1.486  -1.775
   44   1HG2  VAL   6          HG22      VAL   6   5.394   1.537  -1.470
   45   2HG2  VAL   6          HG21      VAL   6   5.101   2.228   0.125
   46   3HG2  VAL   6          HG23      VAL   6   4.121   0.877  -0.445
   47    H    ASP   7           HN       ASP   7   5.916   2.133  -3.151
   48    HA   ASP   7           HA       ASP   7   5.780   3.144  -5.876
   49   1HB   ASP   7           HB2      ASP   7   7.791   1.993  -5.118
   50   2HB   ASP   7           HB1      ASP   7   6.859   0.543  -4.747
   51    H    CYS   8           HN       CYS   8   4.821   1.976  -7.690
   52    HA   CYS   8           HA       CYS   8   2.908  -0.174  -7.043
   53   1HB   CYS   8           HB2      CYS   8   2.116   2.613  -7.797
   54   2HB   CYS   8           HB1      CYS   8   1.160   1.263  -8.404
   55    H    SER   9           HN       SER   9   5.134  -0.500  -8.574
   56    HA   SER   9           HA       SER   9   4.375  -0.120 -11.403
   57   1HB   SER   9           HB2      SER   9   6.871  -0.774  -9.930
   58   2HB   SER   9           HB1      SER   9   6.702  -1.478 -11.536
   59    HG   SER   9           HG       SER   9   6.723   0.477 -12.411
   60    H    GLU  10           HN       GLU  10   4.086  -2.495  -8.977
   61    HA   GLU  10           HA       GLU  10   3.434  -4.517 -11.066
   62   1HB   GLU  10           HB2      GLU  10   4.620  -5.343  -8.444
   63   2HB   GLU  10           HB1      GLU  10   4.653  -6.174  -9.993
   64   1HG   GLU  10           HG2      GLU  10   6.798  -5.379 -10.060
   65   2HG   GLU  10           HG1      GLU  10   6.000  -3.921 -10.655
   66    H    TYR  11           HN       TYR  11   1.318  -3.153 -10.137
   67    HA   TYR  11           HA       TYR  11   0.039  -5.088  -8.354
   68   1HB   TYR  11           HB2      TYR  11   0.093  -2.105  -7.868
   69   2HB   TYR  11           HB1      TYR  11  -0.941  -3.244  -6.997
   70    HD1  TYR  11           HD1      TYR  11   0.086  -5.095  -5.659
   71    HD2  TYR  11           HD2      TYR  11   2.440  -1.946  -7.380
   72    HE1  TYR  11           HE1      TYR  11   1.983  -5.706  -4.184
   73    HE2  TYR  11           HE2      TYR  11   4.334  -2.547  -5.896
   74    HH   TYR  11           HH       TYR  11   5.033  -3.857  -4.252
   75    HA   PRO  12           HA       PRO  12  -1.946  -4.981  -7.342
   76   1HB   PRO  12           HB2      PRO  12  -3.862  -6.902  -7.835
   77   2HB   PRO  12           HB1      PRO  12  -4.252  -5.226  -7.410
   78   1HG   PRO  12           HG2      PRO  12  -4.349  -6.559 -10.094
   79   2HG   PRO  12           HG1      PRO  12  -5.352  -5.243  -9.458
   80   1HD   PRO  12           HD2      PRO  12  -3.195  -4.886 -11.205
   81   2HD   PRO  12           HD1      PRO  12  -3.913  -3.650 -10.228
   82    H    LYS  13           HN       LYS  13  -1.385  -7.133  -6.505
   83    HA   LYS  13           HA       LYS  13  -0.053  -8.867  -8.545
   84   1HB   LYS  13           HB2      LYS  13   1.056  -7.483  -6.323
   85   2HB   LYS  13           HB1      LYS  13   1.066  -9.199  -5.919
   86   1HG   LYS  13           HG2      LYS  13   2.015  -9.520  -8.325
   87   2HG   LYS  13           HG1      LYS  13   2.398  -7.800  -8.225
   88   1HD   LYS  13           HD2      LYS  13   4.148  -8.186  -6.859
   89   2HD   LYS  13           HD1      LYS  13   3.166  -9.190  -5.790
   90   1HE   LYS  13           HE2      LYS  13   3.983 -11.096  -6.683
   91   2HE   LYS  13           HE1      LYS  13   3.716 -10.519  -8.328
   92   1HZ   LYS  13           HZ3      LYS  13   5.970  -9.604  -6.636
   93   2HZ   LYS  13           HZ2      LYS  13   6.088 -10.919  -7.705
   94   3HZ   LYS  13           HZ1      LYS  13   5.759  -9.362  -8.302
   95    HA   PRO  14           HA       PRO  14  -2.671 -12.007  -6.833
   96   1HB   PRO  14           HB2      PRO  14  -1.458 -14.145  -8.059
   97   2HB   PRO  14           HB1      PRO  14  -2.557 -13.030  -8.892
   98   1HG   PRO  14           HG2      PRO  14   0.420 -13.211  -9.053
   99   2HG   PRO  14           HG1      PRO  14  -0.738 -12.649 -10.270
  100   1HD   PRO  14           HD2      PRO  14   0.860 -10.987  -8.672
  101   2HD   PRO  14           HD1      PRO  14  -0.575 -10.479  -9.551
  102    H    ALA  15           HN       ALA  15   0.210 -11.265  -5.660
  103    HA   ALA  15           HA       ALA  15   0.112 -12.994  -3.416
  104   1HB   ALA  15           HB2      ALA  15   1.180 -14.275  -5.693
  105   2HB   ALA  15           HB1      ALA  15   2.561 -13.892  -4.665
  106   3HB   ALA  15           HB3      ALA  15   1.226 -14.854  -4.028
  107    H    CYS  16           HN       CYS  16   1.219 -11.915  -1.851
  108    HA   CYS  16           HA       CYS  16   3.410 -10.067  -2.724
  109   1HB   CYS  16           HB2      CYS  16   1.425  -8.915  -1.715
  110   2HB   CYS  16           HB1      CYS  16   1.657  -9.876  -0.257
  111    H    THR  17           HN       THR  17   5.191  -9.831  -1.146
  112    HA   THR  17           HA       THR  17   6.163 -12.340  -0.171
  113    HB   THR  17           HB       THR  17   7.576 -10.545   1.307
  114    HG1  THR  17           HG1      THR  17   7.101  -9.068  -1.003
  115   1HG2  THR  17          HG22      THR  17   7.822 -11.280  -1.613
  116   2HG2  THR  17          HG21      THR  17   9.066 -10.360  -0.766
  117   3HG2  THR  17          HG23      THR  17   8.665 -11.994  -0.238
  118    H    LEU  18           HN       LEU  18   6.964 -11.901   2.482
  119    HA   LEU  18           HA       LEU  18   4.299 -11.728   3.826
  120   1HB   LEU  18           HB2      LEU  18   5.249 -13.222   5.565
  121   2HB   LEU  18           HB1      LEU  18   5.288 -13.974   3.970
  122    HG   LEU  18           HG       LEU  18   7.700 -12.452   4.359
  123   1HD1  LEU  18          HD11      LEU  18   6.993 -12.983   6.800
  124   2HD1  LEU  18          HD13      LEU  18   7.380 -14.656   6.393
  125   3HD1  LEU  18          HD12      LEU  18   8.629 -13.415   6.303
  126   1HD2  LEU  18          HD21      LEU  18   6.950 -14.666   3.018
  127   2HD2  LEU  18          HD23      LEU  18   8.633 -14.341   3.430
  128   3HD2  LEU  18          HD22      LEU  18   7.674 -15.431   4.431
  129    H    GLU  19           HN       GLU  19   7.442 -10.346   3.646
  130    HA   GLU  19           HA       GLU  19   7.934  -9.353   6.179
  131   1HB   GLU  19           HB2      GLU  19   9.011  -7.444   5.107
  132   2HB   GLU  19           HB1      GLU  19   9.349  -8.898   4.171
  133   1HG   GLU  19           HG2      GLU  19   6.888  -7.671   3.251
  134   2HG   GLU  19           HG1      GLU  19   8.204  -6.512   3.240
  135    H    TYR  20           HN       TYR  20   6.980  -7.848   7.454
  136    HA   TYR  20           HA       TYR  20   4.312  -6.916   6.571
  137   1HB   TYR  20           HB2      TYR  20   4.710  -8.131   8.766
  138   2HB   TYR  20           HB1      TYR  20   5.461  -6.647   9.344
  139    HD1  TYR  20           HD2      TYR  20   2.469  -7.191   7.118
  140    HD2  TYR  20           HD1      TYR  20   3.970  -5.669  10.853
  141    HE1  TYR  20           HE2      TYR  20   0.237  -6.259   7.636
  142    HE2  TYR  20           HE1      TYR  20   1.730  -4.739  11.368
  143    HH   TYR  20           HH       TYR  20  -0.937  -5.618  10.216
  144    H    ARG  21           HN       ARG  21   3.783  -4.901   6.275
  145    HA   ARG  21           HA       ARG  21   5.249  -2.613   7.333
  146   1HB   ARG  21           HB2      ARG  21   5.446  -3.412   4.424
  147   2HB   ARG  21           HB1      ARG  21   5.552  -1.717   4.902
  148   1HG   ARG  21           HG2      ARG  21   7.241  -3.005   6.694
  149   2HG   ARG  21           HG1      ARG  21   7.534  -3.844   5.170
  150   1HD   ARG  21           HD2      ARG  21   7.465  -1.257   4.316
  151   2HD   ARG  21           HD1      ARG  21   8.142  -1.052   5.931
  152    HE   ARG  21           HE       ARG  21   9.751  -2.988   5.076
  153   1HH1  ARG  21          HH11      ARG  21   8.864   0.053   3.808
  154   2HH1  ARG  21          HH12      ARG  21   9.989  -0.001   2.492
  155   1HH2  ARG  21          HH21      ARG  21  11.030  -3.239   3.163
  156   2HH2  ARG  21          HH22      ARG  21  11.212  -1.865   2.124
  157    HA   PRO  22           HA       PRO  22   0.700  -2.495   6.537
  158   1HB   PRO  22           HB2      PRO  22   0.136  -1.269   8.957
  159   2HB   PRO  22           HB1      PRO  22   0.166  -3.028   8.691
  160   1HG   PRO  22           HG2      PRO  22   2.238  -1.266   9.957
  161   2HG   PRO  22           HG1      PRO  22   1.813  -2.945  10.333
  162   1HD   PRO  22           HD2      PRO  22   4.049  -2.234   8.863
  163   2HD   PRO  22           HD1      PRO  22   3.229  -3.805   8.708
  164    H    LEU  23           HN       LEU  23   0.098  -0.878   5.177
  165    HA   LEU  23           HA       LEU  23   1.036   1.869   5.878
  166   1HB   LEU  23           HB2      LEU  23  -0.115   0.975   3.237
  167   2HB   LEU  23           HB1      LEU  23   0.874   2.401   3.575
  168    HG   LEU  23           HG       LEU  23   2.308   0.132   4.498
  169   1HD1  LEU  23          HD12      LEU  23   0.705  -1.017   2.849
  170   2HD1  LEU  23          HD11      LEU  23   1.580  -0.151   1.585
  171   3HD1  LEU  23          HD13      LEU  23   2.430  -1.292   2.625
  172   1HD2  LEU  23          HD23      LEU  23   2.732   2.506   3.150
  173   2HD2  LEU  23          HD22      LEU  23   3.963   1.293   3.501
  174   3HD2  LEU  23          HD21      LEU  23   3.138   1.287   1.942
  175    H    CYS  24           HN       CYS  24  -0.451   3.328   6.464
  176    HA   CYS  24           HA       CYS  24  -3.270   2.525   6.698
  177   1HB   CYS  24           HB2      CYS  24  -2.576   3.917   8.486
  178   2HB   CYS  24           HB1      CYS  24  -1.641   4.933   7.420
  179    H    GLY  25           HN       GLY  25  -4.319   2.487   4.699
  180   1HA   GLY  25           HA2      GLY  25  -3.516   4.001   2.491
  181   2HA   GLY  25           HA1      GLY  25  -5.088   3.376   2.652
  182    H    SER  26           HN       SER  26  -5.841   5.434   1.636
  183    HA   SER  26           HA       SER  26  -5.592   7.825   3.354
  184   1HB   SER  26           HB2      SER  26  -7.276   8.588   1.381
  185   2HB   SER  26           HB1      SER  26  -5.537   8.597   1.208
  186    HG   SER  26           HG       SER  26  -7.471   6.838   0.217
  187    H    ASP  27           HN       ASP  27  -8.039   5.460   2.378
  188    HA   ASP  27           HA       ASP  27 -10.287   6.781   3.571
  189   1HB   ASP  27           HB2      ASP  27 -11.200   4.374   3.713
  190   2HB   ASP  27           HB1      ASP  27 -10.791   4.977   2.107
  191    H    ASN  28           HN       ASN  28  -7.518   5.382   4.920
  192    HA   ASN  28           HA       ASN  28  -6.874   5.482   7.186
  193   1HB   ASN  28           HB2      ASN  28  -8.241   6.396   8.730
  194   2HB   ASN  28           HB1      ASN  28  -9.352   6.680   7.405
  195   1HD2  ASN  28          HD22      ASN  28 -11.093   3.454   8.387
  196   2HD2  ASN  28          HD21      ASN  28 -10.218   3.911   7.010
  197    H    LYS  29           HN       LYS  29  -7.873   3.190   5.374
  198    HA   LYS  29           HA       LYS  29  -8.313   1.140   7.465
  199   1HB   LYS  29           HB2      LYS  29  -9.778   1.187   5.434
  200   2HB   LYS  29           HB1      LYS  29  -8.352   0.858   4.450
  201   1HG   LYS  29           HG2      LYS  29  -8.073  -1.276   5.331
  202   2HG   LYS  29           HG1      LYS  29  -9.003  -0.906   6.780
  203   1HD   LYS  29           HD2      LYS  29 -11.074  -0.898   5.544
  204   2HD   LYS  29           HD1      LYS  29 -10.214  -1.013   4.008
  205   1HE   LYS  29           HE2      LYS  29  -9.868  -3.130   6.123
  206   2HE   LYS  29           HE1      LYS  29 -11.230  -3.187   5.004
  207   1HZ   LYS  29           HZ3      LYS  29  -8.913  -2.636   3.539
  208   2HZ   LYS  29           HZ2      LYS  29  -8.582  -3.963   4.549
  209   3HZ   LYS  29           HZ1      LYS  29  -9.894  -4.018   3.471
  210    H    THR  30           HN       THR  30  -6.554   0.098   8.178
  211    HA   THR  30           HA       THR  30  -3.925   0.506   7.175
  212    HB   THR  30           HB       THR  30  -5.003  -1.837   8.788
  213    HG1  THR  30           HG1      THR  30  -5.279  -0.102  10.022
  214   1HG2  THR  30          HG22      THR  30  -2.808  -2.286   7.703
  215   2HG2  THR  30          HG21      THR  30  -2.159  -0.830   8.458
  216   3HG2  THR  30          HG23      THR  30  -2.674  -2.189   9.459
  217    H    TYR  31           HN       TYR  31  -2.543  -1.057   6.083
  218    HA   TYR  31           HA       TYR  31  -3.998  -3.064   4.431
  219   1HB   TYR  31           HB2      TYR  31  -2.142  -0.868   3.516
  220   2HB   TYR  31           HB1      TYR  31  -2.057  -2.425   2.738
  221    HD1  TYR  31           HD2      TYR  31  -4.252  -3.468   1.852
  222    HD2  TYR  31           HD1      TYR  31  -3.856   0.656   2.986
  223    HE1  TYR  31           HE2      TYR  31  -6.281  -2.914   0.541
  224    HE2  TYR  31           HE1      TYR  31  -5.888   1.211   1.676
  225    HH   TYR  31           HH       TYR  31  -8.030  -0.229   0.906
  226    H    GLY  32           HN       GLY  32  -3.062  -5.069   4.679
  227   1HA   GLY  32           HA2      GLY  32  -1.286  -5.786   6.579
  228   2HA   GLY  32           HA1      GLY  32  -1.296  -6.650   5.058
  229    H    ASN  33           HN       ASN  33  -0.197  -4.915   3.274
  230    HA   ASN  33           HA       ASN  33   2.102  -3.610   4.444
  231   1HB   ASN  33           HB2      ASN  33   3.829  -5.029   3.364
  232   2HB   ASN  33           HB1      ASN  33   2.932  -5.871   4.617
  233   1HD2  ASN  33          HD22      ASN  33   2.936  -8.299   1.934
  234   2HD2  ASN  33          HD21      ASN  33   3.943  -7.716   3.163
  235    H    LYS  34           HN       LYS  34   3.795  -3.499   2.317
  236    HA   LYS  34           HA       LYS  34   2.762  -1.421   0.808
  237   1HB   LYS  34           HB2      LYS  34   4.581  -2.248  -0.932
  238   2HB   LYS  34           HB1      LYS  34   5.070  -1.617   0.642
  239   1HG   LYS  34           HG2      LYS  34   5.556  -3.731   1.496
  240   2HG   LYS  34           HG1      LYS  34   4.480  -4.556   0.364
  241   1HD   LYS  34           HD2      LYS  34   7.026  -3.131  -0.467
  242   2HD   LYS  34           HD1      LYS  34   6.938  -4.860  -0.133
  243   1HE   LYS  34           HE2      LYS  34   5.240  -5.131  -1.891
  244   2HE   LYS  34           HE1      LYS  34   5.285  -3.398  -2.215
  245   1HZ   LYS  34           HZ2      LYS  34   7.666  -5.155  -2.399
  246   2HZ   LYS  34           HZ1      LYS  34   6.672  -4.788  -3.727
  247   3HZ   LYS  34           HZ3      LYS  34   7.519  -3.550  -2.936
  248    H    CYS  35           HN       CYS  35   2.635  -4.883  -0.091
  249    HA   CYS  35           HA       CYS  35   1.593  -4.369  -2.696
  250   1HB   CYS  35           HB2      CYS  35   1.013  -6.801  -1.006
  251   2HB   CYS  35           HB1      CYS  35   1.090  -6.692  -2.757
  252    H    ASN  36           HN       ASN  36  -0.160  -5.680   0.113
  253    HA   ASN  36           HA       ASN  36  -2.741  -5.381  -0.848
  254   1HB   ASN  36           HB2      ASN  36  -1.702  -5.049   1.972
  255   2HB   ASN  36           HB1      ASN  36  -3.420  -5.119   1.572
  256   1HD2  ASN  36          HD22      ASN  36  -1.133  -8.506   1.209
  257   2HD2  ASN  36          HD21      ASN  36  -0.394  -6.994   1.396
  258    H    PHE  37           HN       PHE  37  -0.602  -2.812   0.297
  259    HA   PHE  37           HA       PHE  37  -2.743  -0.840   0.517
  260   1HB   PHE  37           HB2      PHE  37  -0.620  -0.486   1.676
  261   2HB   PHE  37           HB1      PHE  37   0.241  -0.456   0.290
  262    HD1  PHE  37           HD1      PHE  37  -3.014   1.120   1.020
  263    HD2  PHE  37           HD2      PHE  37   1.077   1.609  -0.093
  264    HE1  PHE  37           HE1      PHE  37  -3.434   3.555   0.595
  265    HE2  PHE  37           HE2      PHE  37   0.691   4.029  -0.511
  266    HZ   PHE  37           HZ       PHE  37  -1.572   4.991  -0.174
  267    H    CYS  38           HN       CYS  38  -0.088  -1.244  -1.699
  268    HA   CYS  38           HA       CYS  38  -0.764   0.686  -3.602
  269   1HB   CYS  38           HB2      CYS  38   1.393  -0.375  -3.708
  270   2HB   CYS  38           HB1      CYS  38   0.660  -1.952  -4.013
  271    H    ASN  39           HN       ASN  39  -1.545  -2.828  -3.909
  272    HA   ASN  39           HA       ASN  39  -2.961  -2.746  -6.273
  273   1HB   ASN  39           HB2      ASN  39  -4.670  -4.231  -4.577
  274   2HB   ASN  39           HB1      ASN  39  -3.425  -4.866  -5.642
  275   1HD2  ASN  39          HD22      ASN  39  -1.367  -5.830  -2.963
  276   2HD2  ASN  39          HD21      ASN  39  -1.677  -5.890  -4.630
  277    H    ALA  40           HN       ALA  40  -3.995  -1.457  -3.158
  278    HA   ALA  40           HA       ALA  40  -6.702  -0.855  -3.973
  279   1HB   ALA  40           HB3      ALA  40  -5.861  -0.884  -1.580
  280   2HB   ALA  40           HB2      ALA  40  -4.992   0.609  -1.930
  281   3HB   ALA  40           HB1      ALA  40  -6.754   0.577  -2.002
  282    H    VAL  41           HN       VAL  41  -3.701   1.008  -3.797
  283    HA   VAL  41           HA       VAL  41  -4.600   3.446  -4.904
  284    HB   VAL  41           HB       VAL  41  -1.921   2.050  -5.159
  285   1HG1  VAL  41          HG12      VAL  41  -2.902   4.463  -6.374
  286   2HG1  VAL  41          HG11      VAL  41  -1.665   4.876  -5.186
  287   3HG1  VAL  41          HG13      VAL  41  -1.294   3.746  -6.488
  288   1HG2  VAL  41          HG21      VAL  41  -2.697   2.460  -2.841
  289   2HG2  VAL  41          HG23      VAL  41  -1.296   3.452  -3.245
  290   3HG2  VAL  41          HG22      VAL  41  -2.908   4.168  -3.227
  291    H    VAL  42           HN       VAL  42  -2.763   0.931  -6.673
  292    HA   VAL  42           HA       VAL  42  -3.223   1.983  -9.230
  293    HB   VAL  42           HB       VAL  42  -1.451   0.439  -8.954
  294   1HG1  VAL  42          HG11      VAL  42  -3.499  -1.175  -7.536
  295   2HG1  VAL  42          HG13      VAL  42  -2.257  -2.059  -8.423
  296   3HG1  VAL  42          HG12      VAL  42  -1.795  -0.924  -7.156
  297   1HG2  VAL  42          HG22      VAL  42  -3.310   0.139 -10.927
  298   2HG2  VAL  42          HG21      VAL  42  -1.760  -0.703 -10.881
  299   3HG2  VAL  42          HG23      VAL  42  -3.214  -1.501 -10.281
  300    H    GLU  43           HN       GLU  43  -5.417   0.066  -7.256
  301    HA   GLU  43           HA       GLU  43  -7.033  -0.571  -9.648
  302   1HB   GLU  43           HB2      GLU  43  -6.691  -1.944  -7.324
  303   2HB   GLU  43           HB1      GLU  43  -8.173  -1.073  -6.967
  304   1HG   GLU  43           HG2      GLU  43  -7.664  -2.772  -9.411
  305   2HG   GLU  43           HG1      GLU  43  -8.659  -3.229  -8.028
  306    H    SER  44           HN       SER  44  -6.705   1.827  -7.241
  307    HA   SER  44           HA       SER  44  -9.452   2.840  -7.766
  308   1HB   SER  44           HB2      SER  44  -9.286   4.064  -5.764
  309   2HB   SER  44           HB1      SER  44  -8.429   2.572  -5.387
  310    HG   SER  44           HG       SER  44  -7.388   4.706  -4.911
  311    H    ASN  45           HN       ASN  45  -7.188   3.010  -9.701
  312    HA   ASN  45           HA       ASN  45  -6.063   4.594 -11.015
  313   1HB   ASN  45           HB2      ASN  45  -7.561   6.695 -11.375
  314   2HB   ASN  45           HB1      ASN  45  -8.133   5.162 -11.983
  315   1HD2  ASN  45          HD22      ASN  45 -10.278   7.094  -9.175
  316   2HD2  ASN  45          HD21      ASN  45  -8.928   7.794  -9.927
  317    H    GLY  46           HN       GLY  46  -4.902   4.628  -8.647
  318   1HA   GLY  46           HA2      GLY  46  -3.909   5.932  -6.957
  319   2HA   GLY  46           HA1      GLY  46  -3.509   6.952  -8.327
  320    H    THR  47           HN       THR  47  -6.626   6.272  -6.770
  321    HA   THR  47           HA       THR  47  -6.934   9.210  -6.301
  322    HB   THR  47           HB       THR  47  -8.612   8.024  -7.829
  323    HG1  THR  47           HG1      THR  47  -9.374   9.864  -7.041
  324   1HG2  THR  47          HG22      THR  47  -8.585   6.069  -5.961
  325   2HG2  THR  47          HG21      THR  47  -9.983   6.991  -5.406
  326   3HG2  THR  47          HG23      THR  47  -9.951   6.341  -7.044
  327    H    LEU  48           HN       LEU  48  -6.364   6.246  -4.838
  328    HA   LEU  48           HA       LEU  48  -7.767   6.698  -2.341
  329   1HB   LEU  48           HB2      LEU  48  -7.513   4.442  -2.924
  330   2HB   LEU  48           HB1      LEU  48  -5.870   4.678  -3.499
  331    HG   LEU  48           HG       LEU  48  -5.419   5.252  -0.946
  332   1HD1  LEU  48          HD12      LEU  48  -7.928   5.027  -0.523
  333   2HD1  LEU  48          HD11      LEU  48  -7.688   3.292  -0.733
  334   3HD1  LEU  48          HD13      LEU  48  -6.857   4.146   0.568
  335   1HD2  LEU  48          HD22      LEU  48  -5.706   2.606  -2.344
  336   2HD2  LEU  48          HD21      LEU  48  -4.232   3.468  -1.902
  337   3HD2  LEU  48          HD23      LEU  48  -5.188   2.659  -0.659
  338    H    THR  49           HN       THR  49  -4.377   5.879  -2.576
  339    HA   THR  49           HA       THR  49  -2.446   6.982  -1.837
  340    HB   THR  49           HB       THR  49  -2.420   9.255  -1.557
  341    HG1  THR  49           HG1      THR  49  -4.113  10.394  -0.579
  342   1HG2  THR  49          HG23      THR  49  -4.189   8.368  -3.511
  343   2HG2  THR  49          HG22      THR  49  -5.038   9.693  -2.716
  344   3HG2  THR  49          HG21      THR  49  -3.444   9.965  -3.420
  345    H    LEU  50           HN       LEU  50  -1.668   7.767   0.420
  346    HA   LEU  50           HA       LEU  50  -3.408   6.564   2.485
  347   1HB   LEU  50           HB2      LEU  50  -1.836   5.010   2.822
  348   2HB   LEU  50           HB1      LEU  50  -0.963   5.658   1.457
  349    HG   LEU  50           HG       LEU  50  -0.572   6.992   4.101
  350   1HD1  LEU  50          HD13      LEU  50   0.468   4.310   3.231
  351   2HD1  LEU  50          HD12      LEU  50   1.214   5.274   4.505
  352   3HD1  LEU  50          HD11      LEU  50  -0.438   4.688   4.695
  353   1HD2  LEU  50          HD22      LEU  50   0.480   7.337   1.589
  354   2HD2  LEU  50          HD21      LEU  50   1.325   7.773   3.075
  355   3HD2  LEU  50          HD23      LEU  50   1.648   6.222   2.299
  356    H    SER  51           HN       SER  51  -2.497   7.215   4.797
  357    HA   SER  51           HA       SER  51  -2.102  10.175   4.693
  358   1HB   SER  51           HB2      SER  51  -3.985   8.732   6.184
  359   2HB   SER  51           HB1      SER  51  -2.679   8.958   7.277
  360    HG   SER  51           HG       SER  51  -2.891  11.101   7.177
  361    H    HIS  52           HN       HIS  52  -0.960   7.136   6.027
  362    HA   HIS  52           HA       HIS  52   1.720   8.203   6.404
  363   1HB   HIS  52           HB2      HIS  52   1.815   7.912   8.820
  364   2HB   HIS  52           HB1      HIS  52   0.514   9.035   8.432
  365    HD1  HIS  52           HD1      HIS  52   0.994   6.540  10.737
  366    HD2  HIS  52           HD2      HIS  52  -1.953   6.971   7.799
  367    HE1  HIS  52           HE1      HIS  52  -0.956   5.085  11.442
  368    H    PHE  53           HN       PHE  53   3.186   6.482   7.183
  369    HA   PHE  53           HA       PHE  53   2.396   3.880   6.113
  370   1HB   PHE  53           HB2      PHE  53   4.924   4.878   7.456
  371   2HB   PHE  53           HB1      PHE  53   4.724   3.225   6.877
  372    HD1  PHE  53           HD2      PHE  53   4.642   6.792   5.804
  373    HD2  PHE  53           HD1      PHE  53   4.997   2.690   4.580
  374    HE1  PHE  53           HE2      PHE  53   5.238   7.527   3.515
  375    HE2  PHE  53           HE1      PHE  53   5.594   3.425   2.288
  376    HZ   PHE  53           HZ       PHE  53   5.716   5.845   1.754
  377    H    GLY  54           HN       GLY  54   3.138   1.922   7.615
  378   1HA   GLY  54           HA2      GLY  54   2.893   0.745   9.638
  379   2HA   GLY  54           HA1      GLY  54   2.658   2.265  10.456
  380    H    LYS  55           HN       LYS  55   0.934   0.914  11.558
  381    HA   LYS  55           HA       LYS  55  -1.499   0.438   9.989
  382   1HB   LYS  55           HB2      LYS  55  -1.654   0.389  12.947
  383   2HB   LYS  55           HB1      LYS  55  -2.223  -0.796  11.774
  384   1HG   LYS  55           HG2      LYS  55   0.343  -1.222  11.381
  385   2HG   LYS  55           HG1      LYS  55   0.511  -0.489  12.976
  386   1HD   LYS  55           HD2      LYS  55  -1.628  -2.515  12.772
  387   2HD   LYS  55           HD1      LYS  55   0.007  -3.144  12.565
  388   1HE   LYS  55           HE2      LYS  55   0.065  -3.178  14.834
  389   2HE   LYS  55           HE1      LYS  55   0.330  -1.440  14.693
  390   1HZ   LYS  55           HZ3      LYS  55  -2.428  -2.383  14.594
  391   2HZ   LYS  55           HZ2      LYS  55  -1.645  -2.448  16.100
  392   3HZ   LYS  55           HZ1      LYS  55  -1.789  -0.969  15.277
  393    H    CYS  56           HN       CYS  56  -3.358   1.676  10.065
  394    HA   CYS  56           HA       CYS  56  -3.039   4.450  10.933
  395   1HB   CYS  56           HB2      CYS  56  -4.475   3.212   8.934
  396   2HB   CYS  56           HB1      CYS  56  -5.727   3.567  10.123
   
  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           HT2      LEU   1  13.757  13.150   0.288
    2   2H    LEU   1           HT1      LEU   1  14.144  14.652  -0.406
    3   3H    LEU   1           HT3      LEU   1  15.363  13.504  -0.139
    4    HA   LEU   1           HA       LEU   1  15.656  14.102   1.970
    5   1HB   LEU   1           HB2      LEU   1  14.697  16.296   0.467
    6   2HB   LEU   1           HB1      LEU   1  13.915  16.407   2.044
    7    HG   LEU   1           HG       LEU   1  16.543  15.700   2.649
    8   1HD1  LEU   1          HD13      LEU   1  16.418  17.131   0.096
    9   2HD1  LEU   1          HD12      LEU   1  17.400  17.966   1.300
   10   3HD1  LEU   1          HD11      LEU   1  17.779  16.303   0.853
   11   1HD2  LEU   1          HD22      LEU   1  15.094  17.290   3.868
   12   2HD2  LEU   1          HD21      LEU   1  16.669  18.005   3.526
   13   3HD2  LEU   1          HD23      LEU   1  15.268  18.453   2.554
   14    H    ALA   2           HN       ALA   2  14.723  12.642   3.369
   15    HA   ALA   2           HA       ALA   2  13.092  11.657   4.751
   16   1HB   ALA   2           HB2      ALA   2  12.689  14.624   4.989
   17   2HB   ALA   2           HB1      ALA   2  11.593  13.527   5.827
   18   3HB   ALA   2           HB3      ALA   2  13.319  13.488   6.181
   19    H    ALA   3           HN       ALA   3  12.408  11.777   1.917
   20    HA   ALA   3           HA       ALA   3   9.583  12.525   1.752
   21   1HB   ALA   3           HB1      ALA   3  11.477  12.369  -0.127
   22   2HB   ALA   3           HB3      ALA   3  10.847  10.729  -0.269
   23   3HB   ALA   3           HB2      ALA   3   9.776  12.109  -0.510
   24    H    VAL   4           HN       VAL   4   7.846  10.991   1.429
   25    HA   VAL   4           HA       VAL   4   8.443   8.157   2.083
   26    HB   VAL   4           HB       VAL   4   6.504   8.209   3.737
   27   1HG1  VAL   4          HG13      VAL   4   9.133   9.612   4.184
   28   2HG1  VAL   4          HG12      VAL   4   7.974   9.446   5.503
   29   3HG1  VAL   4          HG11      VAL   4   8.632   8.009   4.719
   30   1HG2  VAL   4          HG22      VAL   4   6.293  10.839   2.747
   31   2HG2  VAL   4          HG21      VAL   4   5.383  10.135   4.084
   32   3HG2  VAL   4          HG23      VAL   4   6.885  11.004   4.400
   33    H    SER   5           HN       SER   5   7.676   7.386   0.124
   34    HA   SER   5           HA       SER   5   4.806   7.326  -0.270
   35   1HB   SER   5           HB2      SER   5   5.239   8.364  -2.703
   36   2HB   SER   5           HB1      SER   5   4.791   9.371  -1.328
   37    HG   SER   5           HG       SER   5   6.675  10.087  -2.522
   38    H    VAL   6           HN       VAL   6   4.601   5.232  -0.892
   39    HA   VAL   6           HA       VAL   6   6.788   3.885  -2.318
   40    HB   VAL   6           HB       VAL   6   4.120   2.596  -1.868
   41   1HG1  VAL   6          HG11      VAL   6   7.022   1.753  -1.651
   42   2HG1  VAL   6          HG13      VAL   6   5.668   0.706  -1.224
   43   3HG1  VAL   6          HG12      VAL   6   5.860   1.267  -2.885
   44   1HG2  VAL   6          HG23      VAL   6   6.089   3.419   0.278
   45   2HG2  VAL   6          HG22      VAL   6   4.348   3.702   0.235
   46   3HG2  VAL   6          HG21      VAL   6   4.970   2.073   0.498
   47    H    ASP   7           HN       ASP   7   6.839   3.568  -4.499
   48    HA   ASP   7           HA       ASP   7   4.596   4.633  -6.102
   49   1HB   ASP   7           HB2      ASP   7   6.950   5.223  -6.678
   50   2HB   ASP   7           HB1      ASP   7   7.270   3.519  -7.003
   51    H    CYS   8           HN       CYS   8   2.952   3.150  -6.254
   52    HA   CYS   8           HA       CYS   8   3.602   0.287  -6.606
   53   1HB   CYS   8           HB2      CYS   8   0.866   1.587  -6.545
   54   2HB   CYS   8           HB1      CYS   8   1.250  -0.115  -6.284
   55    H    SER   9           HN       SER   9   4.605   1.418  -8.772
   56    HA   SER   9           HA       SER   9   2.558   1.584 -10.896
   57   1HB   SER   9           HB2      SER   9   5.495   2.163 -10.713
   58   2HB   SER   9           HB1      SER   9   4.788   1.848 -12.295
   59    HG   SER   9           HG       SER   9   3.733   3.710 -10.431
   60    H    GLU  10           HN       GLU  10   4.740  -0.671  -9.507
   61    HA   GLU  10           HA       GLU  10   4.669  -2.465 -11.861
   62   1HB   GLU  10           HB2      GLU  10   5.788  -3.286  -9.202
   63   2HB   GLU  10           HB1      GLU  10   6.360  -3.681 -10.824
   64   1HG   GLU  10           HG2      GLU  10   6.679  -1.073  -9.325
   65   2HG   GLU  10           HG1      GLU  10   7.949  -2.135  -9.937
   66    H    TYR  11           HN       TYR  11   2.361  -1.661  -9.933
   67    HA   TYR  11           HA       TYR  11   1.558  -4.367  -9.035
   68   1HB   TYR  11           HB2      TYR  11   0.906  -1.551  -8.259
   69   2HB   TYR  11           HB1      TYR  11  -0.324  -2.775  -7.979
   70    HD1  TYR  11           HD2      TYR  11   3.058  -1.624  -7.132
   71    HD2  TYR  11           HD1      TYR  11   0.086  -4.638  -6.389
   72    HE1  TYR  11           HE2      TYR  11   4.333  -2.396  -5.153
   73    HE2  TYR  11           HE1      TYR  11   1.371  -5.412  -4.408
   74    HH   TYR  11           HH       TYR  11   3.270  -3.965  -2.778
   75    HA   PRO  12           HA       PRO  12  -0.608  -4.515  -8.113
   76   1HB   PRO  12           HB2      PRO  12  -2.585  -6.387  -8.495
   77   2HB   PRO  12           HB1      PRO  12  -2.906  -4.669  -8.225
   78   1HG   PRO  12           HG2      PRO  12  -3.197  -6.231 -10.714
   79   2HG   PRO  12           HG1      PRO  12  -3.883  -4.651 -10.302
   80   1HD   PRO  12           HD2      PRO  12  -1.570  -5.204 -11.911
   81   2HD   PRO  12           HD1      PRO  12  -2.250  -3.630 -11.583
   82    H    LYS  13           HN       LYS  13  -0.569  -6.853  -7.164
   83    HA   LYS  13           HA       LYS  13   1.073  -8.624  -8.931
   84   1HB   LYS  13           HB2      LYS  13   1.456  -7.859  -6.031
   85   2HB   LYS  13           HB1      LYS  13   2.229  -9.269  -6.745
   86   1HG   LYS  13           HG2      LYS  13   2.943  -7.522  -8.610
   87   2HG   LYS  13           HG1      LYS  13   2.708  -6.370  -7.296
   88   1HD   LYS  13           HD2      LYS  13   4.602  -7.024  -6.260
   89   2HD   LYS  13           HD1      LYS  13   4.185  -8.730  -6.422
   90   1HE   LYS  13           HE2      LYS  13   5.179  -8.898  -8.550
   91   2HE   LYS  13           HE1      LYS  13   5.149  -7.153  -8.803
   92   1HZ   LYS  13           HZ3      LYS  13   6.626  -7.515  -6.523
   93   2HZ   LYS  13           HZ2      LYS  13   7.142  -8.763  -7.554
   94   3HZ   LYS  13           HZ1      LYS  13   7.229  -7.145  -8.065
   95    HA   PRO  14           HA       PRO  14  -2.031 -11.557  -7.726
   96   1HB   PRO  14           HB2      PRO  14  -0.868 -13.748  -8.912
   97   2HB   PRO  14           HB1      PRO  14  -1.752 -12.498  -9.804
   98   1HG   PRO  14           HG2      PRO  14   1.181 -12.978  -9.664
   99   2HG   PRO  14           HG1      PRO  14   0.236 -12.185 -10.932
  100   1HD   PRO  14           HD2      PRO  14   1.808 -10.900  -8.979
  101   2HD   PRO  14           HD1      PRO  14   0.648 -10.120 -10.024
  102    H    ALA  15           HN       ALA  15   0.697 -11.114  -6.176
  103    HA   ALA  15           HA       ALA  15   0.186 -13.196  -4.201
  104   1HB   ALA  15           HB1      ALA  15   2.042 -13.776  -6.238
  105   2HB   ALA  15           HB3      ALA  15   3.011 -13.352  -4.827
  106   3HB   ALA  15           HB2      ALA  15   1.824 -14.653  -4.724
  107    H    CYS  16           HN       CYS  16   0.486 -12.170  -2.277
  108    HA   CYS  16           HA       CYS  16   2.206  -9.743  -2.256
  109   1HB   CYS  16           HB2      CYS  16   0.165 -10.701  -0.223
  110   2HB   CYS  16           HB1      CYS  16   1.027  -9.165  -0.177
  111    H    THR  17           HN       THR  17   4.013  -9.613  -0.975
  112    HA   THR  17           HA       THR  17   5.368 -11.928  -0.114
  113    HB   THR  17           HB       THR  17   6.518 -10.181   1.501
  114    HG1  THR  17           HG1      THR  17   5.224  -8.484   1.475
  115   1HG2  THR  17          HG21      THR  17   6.835 -10.930  -1.200
  116   2HG2  THR  17          HG23      THR  17   7.033  -9.178  -1.155
  117   3HG2  THR  17          HG22      THR  17   8.048 -10.208  -0.144
  118    H    LEU  18           HN       LEU  18   6.042 -11.892   2.501
  119    HA   LEU  18           HA       LEU  18   3.399 -12.020   3.883
  120   1HB   LEU  18           HB2      LEU  18   4.187 -13.964   5.114
  121   2HB   LEU  18           HB1      LEU  18   4.395 -14.264   3.390
  122    HG   LEU  18           HG       LEU  18   6.770 -13.012   4.145
  123   1HD1  LEU  18          HD12      LEU  18   5.558 -14.128   6.473
  124   2HD1  LEU  18          HD11      LEU  18   6.913 -15.166   6.034
  125   3HD1  LEU  18          HD13      LEU  18   7.176 -13.445   6.316
  126   1HD2  LEU  18          HD21      LEU  18   5.876 -15.428   2.981
  127   2HD2  LEU  18          HD23      LEU  18   7.523 -14.798   2.993
  128   3HD2  LEU  18          HD22      LEU  18   6.989 -15.895   4.267
  129    H    GLU  19           HN       GLU  19   6.481 -10.560   3.932
  130    HA   GLU  19           HA       GLU  19   6.974 -10.341   6.719
  131   1HB   GLU  19           HB2      GLU  19   8.089  -8.166   6.122
  132   2HB   GLU  19           HB1      GLU  19   8.628  -9.522   5.131
  133   1HG   GLU  19           HG2      GLU  19   6.272  -8.088   4.077
  134   2HG   GLU  19           HG1      GLU  19   7.757  -7.136   4.119
  135    H    TYR  20           HN       TYR  20   6.756  -7.703   7.407
  136    HA   TYR  20           HA       TYR  20   3.883  -7.082   6.998
  137   1HB   TYR  20           HB2      TYR  20   4.267  -8.353   9.156
  138   2HB   TYR  20           HB1      TYR  20   5.119  -6.927   9.741
  139    HD1  TYR  20           HD2      TYR  20   2.107  -7.186   7.528
  140    HD2  TYR  20           HD1      TYR  20   3.677  -5.953  11.335
  141    HE1  TYR  20           HE2      TYR  20  -0.058  -6.109   8.068
  142    HE2  TYR  20           HE1      TYR  20   1.508  -4.882  11.878
  143    HH   TYR  20           HH       TYR  20  -1.024  -4.539   9.491
  144    H    ARG  21           HN       ARG  21   3.501  -5.092   6.597
  145    HA   ARG  21           HA       ARG  21   4.984  -2.848   7.716
  146   1HB   ARG  21           HB2      ARG  21   5.123  -3.375   4.722
  147   2HB   ARG  21           HB1      ARG  21   5.742  -1.943   5.548
  148   1HG   ARG  21           HG2      ARG  21   7.264  -3.417   6.873
  149   2HG   ARG  21           HG1      ARG  21   6.703  -4.795   5.927
  150   1HD   ARG  21           HD2      ARG  21   7.467  -2.627   4.172
  151   2HD   ARG  21           HD1      ARG  21   8.794  -3.023   5.262
  152    HE   ARG  21           HE       ARG  21   7.440  -5.180   3.704
  153   1HH1  ARG  21          HH21      ARG  21  10.064  -4.700   5.601
  154   2HH1  ARG  21          HH22      ARG  21  11.260  -5.171   4.439
  155   1HH2  ARG  21          HH11      ARG  21   9.040  -5.204   1.776
  156   2HH2  ARG  21          HH12      ARG  21  10.681  -5.453   2.271
  157    HA   PRO  22           HA       PRO  22   0.521  -2.451   6.716
  158   1HB   PRO  22           HB2      PRO  22  -0.051  -1.035   9.020
  159   2HB   PRO  22           HB1      PRO  22  -0.118  -2.807   8.877
  160   1HG   PRO  22           HG2      PRO  22   2.005  -1.091  10.119
  161   2HG   PRO  22           HG1      PRO  22   1.478  -2.722  10.569
  162   1HD   PRO  22           HD2      PRO  22   3.798  -2.191   9.139
  163   2HD   PRO  22           HD1      PRO  22   2.927  -3.740   9.078
  164    H    LEU  23           HN       LEU  23   0.166  -0.899   5.189
  165    HA   LEU  23           HA       LEU  23   1.200   1.831   5.802
  166   1HB   LEU  23           HB2      LEU  23   0.293   0.860   3.096
  167   2HB   LEU  23           HB1      LEU  23   1.375   2.202   3.478
  168    HG   LEU  23           HG       LEU  23   2.351  -0.323   4.570
  169   1HD1  LEU  23          HD11      LEU  23   1.103  -1.038   2.459
  170   2HD1  LEU  23          HD13      LEU  23   2.307  -0.107   1.568
  171   3HD1  LEU  23          HD12      LEU  23   2.808  -1.477   2.561
  172   1HD2  LEU  23          HD22      LEU  23   3.375   1.883   2.796
  173   2HD2  LEU  23          HD21      LEU  23   3.841   1.499   4.454
  174   3HD2  LEU  23          HD23      LEU  23   4.340   0.445   3.131
  175    H    CYS  24           HN       CYS  24  -0.275   3.310   6.283
  176    HA   CYS  24           HA       CYS  24  -3.116   2.651   6.247
  177   1HB   CYS  24           HB2      CYS  24  -2.048   3.986   8.076
  178   2HB   CYS  24           HB1      CYS  24  -1.734   5.261   6.916
  179    H    GLY  25           HN       GLY  25  -4.699   4.222   5.258
  180   1HA   GLY  25           HA2      GLY  25  -3.707   5.407   2.710
  181   2HA   GLY  25           HA1      GLY  25  -5.063   4.410   2.754
  182    H    SER  26           HN       SER  26  -5.448   6.864   1.720
  183    HA   SER  26           HA       SER  26  -6.098   8.905   3.629
  184   1HB   SER  26           HB2      SER  26  -7.742   9.358   1.420
  185   2HB   SER  26           HB1      SER  26  -6.130  10.011   1.668
  186    HG   SER  26           HG       SER  26  -6.972   7.757   0.206
  187    H    ASP  27           HN       ASP  27  -7.982   6.268   2.205
  188    HA   ASP  27           HA       ASP  27 -10.539   7.126   3.166
  189   1HB   ASP  27           HB2      ASP  27 -11.288   4.904   2.702
  190   2HB   ASP  27           HB1      ASP  27 -10.045   5.246   1.497
  191    H    ASN  28           HN       ASN  28  -7.762   6.111   4.818
  192    HA   ASN  28           HA       ASN  28  -7.444   6.071   7.166
  193   1HB   ASN  28           HB2      ASN  28  -9.733   7.274   7.264
  194   2HB   ASN  28           HB1      ASN  28 -10.410   5.670   7.545
  195   1HD2  ASN  28          HD22      ASN  28  -7.709   6.969  10.373
  196   2HD2  ASN  28          HD21      ASN  28  -7.388   7.261   8.731
  197    H    LYS  29           HN       LYS  29  -7.574   3.845   5.245
  198    HA   LYS  29           HA       LYS  29  -8.319   1.641   7.110
  199   1HB   LYS  29           HB2      LYS  29  -9.626   1.467   5.108
  200   2HB   LYS  29           HB1      LYS  29  -8.224   1.778   4.086
  201   1HG   LYS  29           HG2      LYS  29  -7.623  -0.380   4.107
  202   2HG   LYS  29           HG1      LYS  29  -7.749  -0.461   5.863
  203   1HD   LYS  29           HD2      LYS  29  -9.515  -1.837   5.461
  204   2HD   LYS  29           HD1      LYS  29 -10.387  -0.338   5.143
  205   1HE   LYS  29           HE2      LYS  29 -10.259  -0.591   2.834
  206   2HE   LYS  29           HE1      LYS  29  -8.814  -1.598   2.922
  207   1HZ   LYS  29           HZ3      LYS  29 -10.772  -2.962   4.301
  208   2HZ   LYS  29           HZ2      LYS  29 -11.540  -2.380   2.902
  209   3HZ   LYS  29           HZ1      LYS  29 -10.147  -3.345   2.770
  210    H    THR  30           HN       THR  30  -6.748   0.070   7.523
  211    HA   THR  30           HA       THR  30  -3.975   0.821   6.788
  212    HB   THR  30           HB       THR  30  -5.116  -1.249   8.700
  213    HG1  THR  30           HG1      THR  30  -3.548   0.449   9.896
  214   1HG2  THR  30          HG22      THR  30  -2.338  -0.780   7.694
  215   2HG2  THR  30          HG21      THR  30  -2.544  -1.179   9.400
  216   3HG2  THR  30          HG23      THR  30  -3.123  -2.290   8.157
  217    H    TYR  31           HN       TYR  31  -2.556  -0.803   5.820
  218    HA   TYR  31           HA       TYR  31  -4.019  -2.983   4.411
  219   1HB   TYR  31           HB2      TYR  31  -1.864  -1.142   3.287
  220   2HB   TYR  31           HB1      TYR  31  -2.296  -2.673   2.580
  221    HD1  TYR  31           HD1      TYR  31  -3.722   0.599   3.627
  222    HD2  TYR  31           HD2      TYR  31  -4.219  -2.917   1.205
  223    HE1  TYR  31           HE1      TYR  31  -5.678   1.639   2.515
  224    HE2  TYR  31           HE2      TYR  31  -6.176  -1.874   0.094
  225    HH   TYR  31           HH       TYR  31  -6.974   1.471   0.536
  226    H    GLY  32           HN       GLY  32  -3.223  -4.947   4.951
  227   1HA   GLY  32           HA2      GLY  32  -1.482  -5.568   6.893
  228   2HA   GLY  32           HA1      GLY  32  -1.565  -6.585   5.474
  229    H    ASN  33           HN       ASN  33  -0.343  -5.102   3.523
  230    HA   ASN  33           HA       ASN  33   2.133  -3.980   4.600
  231   1HB   ASN  33           HB2      ASN  33   3.636  -5.570   3.506
  232   2HB   ASN  33           HB1      ASN  33   2.610  -6.388   4.673
  233   1HD2  ASN  33          HD22      ASN  33   2.419  -8.560   1.755
  234   2HD2  ASN  33          HD21      ASN  33   3.488  -8.186   3.016
  235    H    LYS  34           HN       LYS  34   3.675  -4.168   2.277
  236    HA   LYS  34           HA       LYS  34   2.596  -1.995   0.781
  237   1HB   LYS  34           HB2      LYS  34   4.503  -2.682  -0.857
  238   2HB   LYS  34           HB1      LYS  34   4.925  -2.105   0.753
  239   1HG   LYS  34           HG2      LYS  34   5.425  -4.252   1.542
  240   2HG   LYS  34           HG1      LYS  34   4.485  -5.050   0.277
  241   1HD   LYS  34           HD2      LYS  34   7.107  -3.563  -0.080
  242   2HD   LYS  34           HD1      LYS  34   6.858  -5.304  -0.221
  243   1HE   LYS  34           HE2      LYS  34   6.584  -4.870  -2.435
  244   2HE   LYS  34           HE1      LYS  34   4.973  -4.338  -1.959
  245   1HZ   LYS  34           HZ1      LYS  34   6.182  -2.115  -1.490
  246   2HZ   LYS  34           HZ3      LYS  34   7.359  -2.725  -2.548
  247   3HZ   LYS  34           HZ2      LYS  34   5.761  -2.519  -3.086
  248    H    CYS  35           HN       CYS  35   2.720  -5.480  -0.058
  249    HA   CYS  35           HA       CYS  35   1.785  -5.211  -2.677
  250   1HB   CYS  35           HB2      CYS  35   2.488  -7.367  -1.763
  251   2HB   CYS  35           HB1      CYS  35   1.120  -7.363  -0.659
  252    H    ASN  36           HN       ASN  36  -0.065  -5.609   0.311
  253    HA   ASN  36           HA       ASN  36  -2.655  -5.440  -0.861
  254   1HB   ASN  36           HB2      ASN  36  -1.585  -4.937   1.907
  255   2HB   ASN  36           HB1      ASN  36  -3.282  -4.633   1.533
  256   1HD2  ASN  36          HD22      ASN  36  -1.901  -8.486   1.673
  257   2HD2  ASN  36          HD21      ASN  36  -0.807  -7.190   1.687
  258    H    PHE  37           HN       PHE  37  -0.789  -2.850   0.787
  259    HA   PHE  37           HA       PHE  37  -2.607  -0.749   0.376
  260   1HB   PHE  37           HB2      PHE  37  -0.513  -0.579   1.670
  261   2HB   PHE  37           HB1      PHE  37   0.422  -0.491   0.309
  262    HD1  PHE  37           HD1      PHE  37  -2.573   1.198   1.713
  263    HD2  PHE  37           HD2      PHE  37   0.954   1.423  -0.668
  264    HE1  PHE  37           HE1      PHE  37  -2.973   3.638   1.375
  265    HE2  PHE  37           HE2      PHE  37   0.594   3.863  -1.009
  266    HZ   PHE  37           HZ       PHE  37  -1.381   4.960   0.013
  267    H    CYS  38           HN       CYS  38  -0.018  -1.793  -1.669
  268    HA   CYS  38           HA       CYS  38  -0.435   0.072  -3.794
  269   1HB   CYS  38           HB2      CYS  38   0.944  -2.609  -3.648
  270   2HB   CYS  38           HB1      CYS  38   0.823  -1.714  -5.160
  271    H    ASN  39           HN       ASN  39  -1.899  -3.047  -3.047
  272    HA   ASN  39           HA       ASN  39  -3.134  -3.378  -5.639
  273   1HB   ASN  39           HB2      ASN  39  -3.373  -4.621  -2.937
  274   2HB   ASN  39           HB1      ASN  39  -4.739  -4.800  -4.027
  275   1HD2  ASN  39          HD22      ASN  39  -1.587  -7.119  -4.589
  276   2HD2  ASN  39          HD21      ASN  39  -1.898  -6.278  -3.157
  277    H    ALA  40           HN       ALA  40  -3.797  -1.479  -2.823
  278    HA   ALA  40           HA       ALA  40  -6.609  -1.009  -3.527
  279   1HB   ALA  40           HB1      ALA  40  -4.911  -0.512  -1.254
  280   2HB   ALA  40           HB3      ALA  40  -5.656   1.005  -1.759
  281   3HB   ALA  40           HB2      ALA  40  -6.667  -0.384  -1.359
  282    H    VAL  41           HN       VAL  41  -3.471   0.379  -4.090
  283    HA   VAL  41           HA       VAL  41  -4.453   2.936  -5.107
  284    HB   VAL  41           HB       VAL  41  -1.774   1.550  -5.451
  285   1HG1  VAL  41          HG13      VAL  41  -2.797   3.744  -6.824
  286   2HG1  VAL  41          HG12      VAL  41  -1.835   4.468  -5.535
  287   3HG1  VAL  41          HG11      VAL  41  -1.091   3.329  -6.657
  288   1HG2  VAL  41          HG21      VAL  41  -2.441   2.018  -3.082
  289   2HG2  VAL  41          HG23      VAL  41  -1.027   2.938  -3.595
  290   3HG2  VAL  41          HG22      VAL  41  -2.604   3.722  -3.502
  291    H    VAL  42           HN       VAL  42  -3.630  -0.220  -6.379
  292    HA   VAL  42           HA       VAL  42  -3.853   0.648  -9.180
  293    HB   VAL  42           HB       VAL  42  -3.383  -1.709  -9.688
  294   1HG1  VAL  42          HG13      VAL  42  -1.677   0.042  -8.408
  295   2HG1  VAL  42          HG12      VAL  42  -1.530  -1.424  -7.439
  296   3HG1  VAL  42          HG11      VAL  42  -1.196  -1.475  -9.169
  297   1HG2  VAL  42          HG23      VAL  42  -4.156  -2.010  -6.829
  298   2HG2  VAL  42          HG22      VAL  42  -4.449  -3.093  -8.191
  299   3HG2  VAL  42          HG21      VAL  42  -2.862  -3.047  -7.424
  300    H    GLU  43           HN       GLU  43  -5.851  -0.898  -6.747
  301    HA   GLU  43           HA       GLU  43  -7.885  -1.609  -8.771
  302   1HB   GLU  43           HB2      GLU  43  -7.164  -2.811  -6.403
  303   2HB   GLU  43           HB1      GLU  43  -8.597  -1.915  -5.934
  304   1HG   GLU  43           HG2      GLU  43  -9.371  -2.969  -8.345
  305   2HG   GLU  43           HG1      GLU  43  -8.348  -4.253  -7.697
  306    H    SER  44           HN       SER  44  -7.156   0.886  -6.474
  307    HA   SER  44           HA       SER  44  -9.934   1.880  -6.493
  308   1HB   SER  44           HB2      SER  44  -9.243   3.433  -4.848
  309   2HB   SER  44           HB1      SER  44  -8.320   1.981  -4.482
  310    HG   SER  44           HG       SER  44  -6.724   3.380  -4.608
  311    H    ASN  45           HN       ASN  45  -7.718   1.890  -8.795
  312    HA   ASN  45           HA       ASN  45  -7.519   3.250 -10.716
  313   1HB   ASN  45           HB2      ASN  45  -9.966   3.998  -9.736
  314   2HB   ASN  45           HB1      ASN  45  -9.066   5.504  -9.598
  315   1HD2  ASN  45          HD22      ASN  45  -9.700   6.120 -13.006
  316   2HD2  ASN  45          HD21      ASN  45  -9.773   6.692 -11.409
  317    H    GLY  46           HN       GLY  46  -6.260   3.629  -7.826
  318   1HA   GLY  46           HA2      GLY  46  -4.346   4.796  -7.140
  319   2HA   GLY  46           HA1      GLY  46  -4.365   5.681  -8.658
  320    H    THR  47           HN       THR  47  -7.350   5.687  -6.970
  321    HA   THR  47           HA       THR  47  -7.101   8.562  -6.451
  322    HB   THR  47           HB       THR  47  -9.242   7.528  -7.235
  323    HG1  THR  47           HG1      THR  47 -10.395   8.877  -6.028
  324   1HG2  THR  47          HG23      THR  47  -8.717   5.526  -5.522
  325   2HG2  THR  47          HG22      THR  47  -9.768   6.497  -4.490
  326   3HG2  THR  47          HG21      THR  47 -10.358   5.910  -6.046
  327    H    LEU  48           HN       LEU  48  -6.263   5.753  -4.799
  328    HA   LEU  48           HA       LEU  48  -6.851   6.657  -2.102
  329   1HB   LEU  48           HB2      LEU  48  -6.748   4.358  -2.115
  330   2HB   LEU  48           HB1      LEU  48  -5.602   4.318  -3.447
  331    HG   LEU  48           HG       LEU  48  -3.892   5.232  -1.690
  332   1HD1  LEU  48          HD11      LEU  48  -6.111   5.330  -0.116
  333   2HD1  LEU  48          HD13      LEU  48  -5.448   3.759   0.333
  334   3HD1  LEU  48          HD12      LEU  48  -4.464   5.214   0.504
  335   1HD2  LEU  48          HD22      LEU  48  -4.470   2.753  -2.686
  336   2HD2  LEU  48          HD21      LEU  48  -3.102   3.105  -1.631
  337   3HD2  LEU  48          HD23      LEU  48  -4.600   2.467  -0.950
  338    H    THR  49           HN       THR  49  -5.045   6.994  -0.538
  339    HA   THR  49           HA       THR  49  -2.487   7.841  -1.697
  340    HB   THR  49           HB       THR  49  -2.562  10.002  -0.475
  341    HG1  THR  49           HG1      THR  49  -4.178   9.687   0.978
  342   1HG2  THR  49          HG21      THR  49  -3.359   9.445  -2.954
  343   2HG2  THR  49          HG23      THR  49  -4.890  10.050  -2.324
  344   3HG2  THR  49          HG22      THR  49  -3.455  11.078  -2.294
  345    H    LEU  50           HN       LEU  50  -0.947   7.137  -0.420
  346    HA   LEU  50           HA       LEU  50  -1.388   5.646   1.936
  347   1HB   LEU  50           HB2      LEU  50   0.610   5.303   0.682
  348   2HB   LEU  50           HB1      LEU  50   1.039   7.009   0.742
  349    HG   LEU  50           HG       LEU  50   0.988   6.499   3.385
  350   1HD1  LEU  50          HD11      LEU  50   0.973   3.912   2.039
  351   2HD1  LEU  50          HD13      LEU  50   2.395   4.113   3.062
  352   3HD1  LEU  50          HD12      LEU  50   0.782   4.279   3.754
  353   1HD2  LEU  50          HD21      LEU  50   2.828   7.372   1.840
  354   2HD2  LEU  50          HD23      LEU  50   3.371   6.447   3.240
  355   3HD2  LEU  50          HD22      LEU  50   3.324   5.690   1.648
  356    H    SER  51           HN       SER  51  -1.828   6.355   3.964
  357    HA   SER  51           HA       SER  51  -1.753   9.207   4.607
  358   1HB   SER  51           HB2      SER  51  -3.519   7.647   5.248
  359   2HB   SER  51           HB1      SER  51  -2.596   6.859   6.409
  360    HG   SER  51           HG       SER  51  -3.535   8.449   7.536
  361    H    HIS  52           HN       HIS  52   0.124   6.439   5.084
  362    HA   HIS  52           HA       HIS  52   2.524   7.494   5.803
  363   1HB   HIS  52           HB2      HIS  52   2.534   7.470   8.343
  364   2HB   HIS  52           HB1      HIS  52   1.650   8.810   7.625
  365    HD1  HIS  52           HD1      HIS  52   1.228   5.733   9.655
  366    HD2  HIS  52           HD2      HIS  52  -1.252   8.566   7.855
  367    HE1  HIS  52           HE1      HIS  52  -1.083   5.345  10.599
  368    H    PHE  53           HN       PHE  53   3.978   5.894   6.976
  369    HA   PHE  53           HA       PHE  53   3.194   3.187   6.334
  370   1HB   PHE  53           HB2      PHE  53   5.532   4.351   7.865
  371   2HB   PHE  53           HB1      PHE  53   5.322   2.616   7.632
  372    HD1  PHE  53           HD2      PHE  53   5.705   5.854   5.859
  373    HD2  PHE  53           HD1      PHE  53   5.811   1.572   5.540
  374    HE1  PHE  53           HE2      PHE  53   6.674   6.048   3.589
  375    HE2  PHE  53           HE1      PHE  53   6.784   1.765   3.269
  376    HZ   PHE  53           HZ       PHE  53   7.216   4.004   2.292
  377    H    GLY  54           HN       GLY  54   3.369   1.447   8.124
  378   1HA   GLY  54           HA2      GLY  54   2.733   0.625  10.251
  379   2HA   GLY  54           HA1      GLY  54   2.581   2.270  10.801
  380    H    LYS  55           HN       LYS  55   0.563   1.145  11.771
  381    HA   LYS  55           HA       LYS  55  -1.673   0.951   9.848
  382   1HB   LYS  55           HB2      LYS  55  -2.168   0.778  12.775
  383   2HB   LYS  55           HB1      LYS  55  -2.800  -0.224  11.472
  384   1HG   LYS  55           HG2      LYS  55  -0.137  -0.844  11.367
  385   2HG   LYS  55           HG1      LYS  55  -0.360  -0.576  13.096
  386   1HD   LYS  55           HD2      LYS  55  -1.828  -2.532  11.316
  387   2HD   LYS  55           HD1      LYS  55  -0.846  -2.887  12.738
  388   1HE   LYS  55           HE2      LYS  55  -2.684  -2.734  14.027
  389   2HE   LYS  55           HE1      LYS  55  -2.866  -1.047  13.546
  390   1HZ   LYS  55           HZ1      LYS  55  -3.720  -2.600  11.411
  391   2HZ   LYS  55           HZ3      LYS  55  -4.426  -3.272  12.799
  392   3HZ   LYS  55           HZ2      LYS  55  -4.668  -1.631  12.434
  393    H    CYS  56           HN       CYS  56  -3.509   2.332   9.977
  394    HA   CYS  56           HA       CYS  56  -3.053   5.072  10.357
  395   1HB   CYS  56           HB2      CYS  56  -5.748   3.764  10.787
  396   2HB   CYS  56           HB1      CYS  56  -5.417   5.375  10.154
   
  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   8.374  15.972   1.584
    2   2H    LEU   1           HT3      LEU   1   6.822  15.898   2.265
    3   3H    LEU   1           HT2      LEU   1   7.762  17.303   2.446
    4    HA   LEU   1           HA       LEU   1   8.990  16.462   4.116
    5   1HB   LEU   1           HB2      LEU   1   6.381  14.991   4.033
    6   2HB   LEU   1           HB1      LEU   1   7.568  14.528   5.253
    7    HG   LEU   1           HG       LEU   1   7.316  17.422   5.063
    8   1HD1  LEU   1          HD12      LEU   1   4.844  15.746   5.378
    9   2HD1  LEU   1          HD11      LEU   1   4.995  17.240   6.300
   10   3HD1  LEU   1          HD13      LEU   1   5.047  17.283   4.538
   11   1HD2  LEU   1          HD22      LEU   1   6.809  15.418   7.288
   12   2HD2  LEU   1          HD21      LEU   1   8.356  16.187   6.934
   13   3HD2  LEU   1          HD23      LEU   1   6.997  17.158   7.503
   14    H    ALA   2           HN       ALA   2  10.644  15.574   2.503
   15    HA   ALA   2           HA       ALA   2  12.154  13.850   1.988
   16   1HB   ALA   2           HB1      ALA   2  11.604  13.309   4.482
   17   2HB   ALA   2           HB3      ALA   2  10.609  12.015   3.811
   18   3HB   ALA   2           HB2      ALA   2  12.343  12.052   3.491
   19    H    ALA   3           HN       ALA   3  11.631  11.064   1.730
   20    HA   ALA   3           HA       ALA   3   9.634  11.139  -0.491
   21   1HB   ALA   3           HB2      ALA   3  12.121   9.499  -0.017
   22   2HB   ALA   3           HB1      ALA   3  10.887   8.968  -1.158
   23   3HB   ALA   3           HB3      ALA   3  11.716  10.504  -1.409
   24    H    VAL   4           HN       VAL   4   7.831   9.890  -0.306
   25    HA   VAL   4           HA       VAL   4   7.844   7.500   1.413
   26    HB   VAL   4           HB       VAL   4   5.730   8.362   2.590
   27   1HG1  VAL   4          HG11      VAL   4   8.204   8.236   3.455
   28   2HG1  VAL   4          HG13      VAL   4   8.142   9.994   3.334
   29   3HG1  VAL   4          HG12      VAL   4   7.010   9.144   4.384
   30   1HG2  VAL   4          HG22      VAL   4   6.687  10.801   1.152
   31   2HG2  VAL   4          HG21      VAL   4   5.042  10.304   1.546
   32   3HG2  VAL   4          HG23      VAL   4   6.072  11.013   2.790
   33    H    SER   5           HN       SER   5   7.327   6.331  -0.474
   34    HA   SER   5           HA       SER   5   4.528   6.223  -1.174
   35   1HB   SER   5           HB2      SER   5   5.266   6.711  -3.717
   36   2HB   SER   5           HB1      SER   5   4.649   7.974  -2.657
   37    HG   SER   5           HG       SER   5   6.515   8.829  -3.253
   38    H    VAL   6           HN       VAL   6   4.236   4.083  -1.561
   39    HA   VAL   6           HA       VAL   6   6.542   2.395  -2.229
   40    HB   VAL   6           HB       VAL   6   3.619   1.770  -1.731
   41   1HG1  VAL   6          HG13      VAL   6   5.947   0.045  -2.538
   42   2HG1  VAL   6          HG12      VAL   6   4.677  -0.618  -1.510
   43   3HG1  VAL   6          HG11      VAL   6   4.281  -0.001  -3.114
   44   1HG2  VAL   6          HG22      VAL   6   6.010   2.077  -0.070
   45   2HG2  VAL   6          HG21      VAL   6   4.315   1.990   0.412
   46   3HG2  VAL   6          HG23      VAL   6   5.234   0.508   0.152
   47    H    ASP   7           HN       ASP   7   6.685   1.100  -4.148
   48    HA   ASP   7           HA       ASP   7   5.855   2.369  -6.563
   49   1HB   ASP   7           HB2      ASP   7   7.751   0.671  -6.238
   50   2HB   ASP   7           HB1      ASP   7   6.505  -0.574  -6.311
   51    H    CYS   8           HN       CYS   8   4.202   1.714  -8.087
   52    HA   CYS   8           HA       CYS   8   2.238  -0.269  -7.160
   53   1HB   CYS   8           HB2      CYS   8   1.807   2.234  -6.313
   54   2HB   CYS   8           HB1      CYS   8   1.113   2.390  -7.923
   55    H    SER   9           HN       SER   9   4.101   0.507  -9.539
   56    HA   SER   9           HA       SER   9   2.111   0.612 -11.724
   57   1HB   SER   9           HB2      SER   9   4.453   1.813 -11.625
   58   2HB   SER   9           HB1      SER   9   5.062   0.249 -12.153
   59    HG   SER   9           HG       SER   9   3.111   0.569 -13.714
   60    H    GLU  10           HN       GLU  10   2.973  -1.773  -9.772
   61    HA   GLU  10           HA       GLU  10   3.070  -3.783 -11.983
   62   1HB   GLU  10           HB2      GLU  10   4.514  -3.734  -9.335
   63   2HB   GLU  10           HB1      GLU  10   4.253  -5.241 -10.215
   64   1HG   GLU  10           HG2      GLU  10   6.343  -4.542 -11.019
   65   2HG   GLU  10           HG1      GLU  10   5.235  -3.940 -12.252
   66    H    TYR  11           HN       TYR  11   1.532  -2.768  -9.023
   67    HA   TYR  11           HA       TYR  11   0.256  -5.315  -8.549
   68   1HB   TYR  11           HB2      TYR  11  -0.280  -2.557  -7.432
   69   2HB   TYR  11           HB1      TYR  11  -1.068  -4.029  -6.869
   70    HD1  TYR  11           HD2      TYR  11   2.186  -2.259  -7.126
   71    HD2  TYR  11           HD1      TYR  11   0.101  -5.644  -5.498
   72    HE1  TYR  11           HE2      TYR  11   4.132  -2.757  -5.675
   73    HE2  TYR  11           HE1      TYR  11   2.054  -6.143  -4.045
   74    HH   TYR  11           HH       TYR  11   5.013  -4.160  -4.204
   75    HA   PRO  12           HA       PRO  12  -1.707  -5.699  -7.508
   76   1HB   PRO  12           HB2      PRO  12  -3.344  -7.749  -8.333
   77   2HB   PRO  12           HB1      PRO  12  -3.964  -6.248  -7.635
   78   1HG   PRO  12           HG2      PRO  12  -3.903  -7.098 -10.512
   79   2HG   PRO  12           HG1      PRO  12  -5.099  -6.104  -9.661
   80   1HD   PRO  12           HD2      PRO  12  -3.086  -5.061 -11.289
   81   2HD   PRO  12           HD1      PRO  12  -3.950  -4.187 -10.080
   82    H    LYS  13           HN       LYS  13  -0.376  -7.488  -7.083
   83    HA   LYS  13           HA       LYS  13   0.895  -8.761  -9.461
   84   1HB   LYS  13           HB2      LYS  13   2.178  -9.224  -6.862
   85   2HB   LYS  13           HB1      LYS  13   2.871  -8.671  -8.390
   86   1HG   LYS  13           HG2      LYS  13   1.493  -6.465  -7.738
   87   2HG   LYS  13           HG1      LYS  13   1.783  -7.104  -6.121
   88   1HD   LYS  13           HD2      LYS  13   3.898  -6.569  -8.226
   89   2HD   LYS  13           HD1      LYS  13   3.617  -5.606  -6.776
   90   1HE   LYS  13           HE2      LYS  13   4.403  -7.294  -5.347
   91   2HE   LYS  13           HE1      LYS  13   4.160  -8.558  -6.552
   92   1HZ   LYS  13           HZ3      LYS  13   5.953  -6.532  -7.463
   93   2HZ   LYS  13           HZ2      LYS  13   6.502  -7.252  -6.026
   94   3HZ   LYS  13           HZ1      LYS  13   6.174  -8.211  -7.390
   95    HA   PRO  14           HA       PRO  14  -0.756 -12.672  -8.317
   96   1HB   PRO  14           HB2      PRO  14   1.306 -14.361  -8.974
   97   2HB   PRO  14           HB1      PRO  14   0.269 -13.566 -10.171
   98   1HG   PRO  14           HG2      PRO  14   3.074 -12.906  -9.375
   99   2HG   PRO  14           HG1      PRO  14   2.268 -12.678 -10.936
  100   1HD   PRO  14           HD2      PRO  14   2.734 -10.652  -9.076
  101   2HD   PRO  14           HD1      PRO  14   1.567 -10.576 -10.366
  102    H    ALA  15           HN       ALA  15   1.300 -11.215  -6.341
  103    HA   ALA  15           HA       ALA  15   0.991 -13.056  -4.181
  104   1HB   ALA  15           HB3      ALA  15   3.619 -13.111  -5.660
  105   2HB   ALA  15           HB2      ALA  15   3.530 -13.508  -3.945
  106   3HB   ALA  15           HB1      ALA  15   2.635 -14.471  -5.119
  107    H    CYS  16           HN       CYS  16   1.157 -11.846  -2.337
  108    HA   CYS  16           HA       CYS  16   2.354  -9.143  -2.571
  109   1HB   CYS  16           HB2      CYS  16   0.649 -10.429  -0.414
  110   2HB   CYS  16           HB1      CYS  16   1.276  -8.786  -0.333
  111    H    THR  17           HN       THR  17   3.933  -8.395  -1.023
  112    HA   THR  17           HA       THR  17   6.055 -10.144  -0.452
  113    HB   THR  17           HB       THR  17   6.355  -8.334   1.545
  114    HG1  THR  17           HG1      THR  17   5.018  -6.744   1.342
  115   1HG2  THR  17          HG23      THR  17   7.307  -8.718  -1.066
  116   2HG2  THR  17          HG22      THR  17   6.840  -7.019  -0.991
  117   3HG2  THR  17          HG21      THR  17   8.000  -7.666   0.168
  118    H    LEU  18           HN       LEU  18   6.755 -10.325   2.110
  119    HA   LEU  18           HA       LEU  18   4.391 -11.555   3.464
  120   1HB   LEU  18           HB2      LEU  18   5.972 -13.229   4.428
  121   2HB   LEU  18           HB1      LEU  18   5.881 -13.323   2.670
  122    HG   LEU  18           HG       LEU  18   7.971 -11.601   3.983
  123   1HD1  LEU  18          HD12      LEU  18   7.945 -14.038   4.871
  124   2HD1  LEU  18          HD11      LEU  18   8.461 -14.483   3.244
  125   3HD1  LEU  18          HD13      LEU  18   9.462 -13.413   4.225
  126   1HD2  LEU  18          HD21      LEU  18   7.244 -12.444   1.317
  127   2HD2  LEU  18          HD23      LEU  18   8.471 -11.276   1.808
  128   3HD2  LEU  18          HD22      LEU  18   8.881 -12.988   1.688
  129    H    GLU  19           HN       GLU  19   7.448  -9.809   3.869
  130    HA   GLU  19           HA       GLU  19   7.526  -9.650   6.660
  131   1HB   GLU  19           HB2      GLU  19   8.804  -7.599   6.378
  132   2HB   GLU  19           HB1      GLU  19   9.287  -8.745   5.130
  133   1HG   GLU  19           HG2      GLU  19   7.056  -7.160   4.187
  134   2HG   GLU  19           HG1      GLU  19   8.345  -6.118   4.765
  135    H    TYR  20           HN       TYR  20   6.377  -8.477   8.124
  136    HA   TYR  20           HA       TYR  20   3.871  -7.312   7.132
  137   1HB   TYR  20           HB2      TYR  20   3.958  -8.801   9.145
  138   2HB   TYR  20           HB1      TYR  20   4.765  -7.495  10.011
  139    HD1  TYR  20           HD2      TYR  20   2.019  -7.391   7.459
  140    HD2  TYR  20           HD1      TYR  20   3.175  -6.645  11.534
  141    HE1  TYR  20           HE2      TYR  20  -0.172  -6.323   7.884
  142    HE2  TYR  20           HE1      TYR  20   0.976  -5.576  11.958
  143    HH   TYR  20           HH       TYR  20  -1.510  -5.417   9.404
  144    H    ARG  21           HN       ARG  21   3.497  -5.285   6.860
  145    HA   ARG  21           HA       ARG  21   4.710  -3.148   8.434
  146   1HB   ARG  21           HB2      ARG  21   5.430  -3.540   5.512
  147   2HB   ARG  21           HB1      ARG  21   5.597  -1.990   6.338
  148   1HG   ARG  21           HG2      ARG  21   6.843  -3.614   8.118
  149   2HG   ARG  21           HG1      ARG  21   7.209  -4.462   6.614
  150   1HD   ARG  21           HD2      ARG  21   7.529  -1.535   6.461
  151   2HD   ARG  21           HD1      ARG  21   8.638  -2.326   7.582
  152    HE   ARG  21           HE       ARG  21   9.072  -3.889   5.500
  153   1HH1  ARG  21          HH11      ARG  21   8.143  -2.940   3.197
  154   2HH1  ARG  21          HH12      ARG  21   9.078  -1.556   2.737
  155   1HH2  ARG  21          HH21      ARG  21  10.386  -1.054   5.908
  156   2HH2  ARG  21          HH22      ARG  21  10.349  -0.489   4.272
  157    HA   PRO  22           HA       PRO  22   0.416  -2.644   6.954
  158   1HB   PRO  22           HB2      PRO  22  -0.325  -1.216   9.216
  159   2HB   PRO  22           HB1      PRO  22  -0.429  -2.990   9.049
  160   1HG   PRO  22           HG2      PRO  22   1.604  -1.328  10.497
  161   2HG   PRO  22           HG1      PRO  22   1.012  -2.956  10.874
  162   1HD   PRO  22           HD2      PRO  22   3.462  -2.449   9.678
  163   2HD   PRO  22           HD1      PRO  22   2.574  -3.980   9.509
  164    H    LEU  23           HN       LEU  23   0.163  -1.024   5.425
  165    HA   LEU  23           HA       LEU  23   1.141   1.680   6.232
  166   1HB   LEU  23           HB2      LEU  23   0.387   0.738   3.458
  167   2HB   LEU  23           HB1      LEU  23   1.327   2.170   3.899
  168    HG   LEU  23           HG       LEU  23   2.532  -0.134   5.101
  169   1HD1  LEU  23          HD12      LEU  23   2.013  -0.320   2.128
  170   2HD1  LEU  23          HD11      LEU  23   3.205  -1.289   2.993
  171   3HD1  LEU  23          HD13      LEU  23   1.490  -1.463   3.364
  172   1HD2  LEU  23          HD22      LEU  23   3.193   2.151   3.384
  173   2HD2  LEU  23          HD21      LEU  23   4.106   1.441   4.716
  174   3HD2  LEU  23          HD23      LEU  23   4.208   0.736   3.103
  175    H    CYS  24           HN       CYS  24  -0.404   3.232   6.577
  176    HA   CYS  24           HA       CYS  24  -3.214   2.420   6.398
  177   1HB   CYS  24           HB2      CYS  24  -2.493   3.874   8.264
  178   2HB   CYS  24           HB1      CYS  24  -1.997   5.113   7.118
  179    H    GLY  25           HN       GLY  25  -4.797   3.813   5.119
  180   1HA   GLY  25           HA2      GLY  25  -3.537   5.108   2.770
  181   2HA   GLY  25           HA1      GLY  25  -4.549   3.772   2.506
  182    H    SER  26           HN       SER  26  -5.198   6.147   1.332
  183    HA   SER  26           HA       SER  26  -6.726   7.954   2.876
  184   1HB   SER  26           HB2      SER  26  -6.292   8.728   0.726
  185   2HB   SER  26           HB1      SER  26  -6.703   7.187  -0.023
  186    HG   SER  26           HG       SER  26  -8.607   8.773   1.342
  187    H    ASP  27           HN       ASP  27  -7.489   4.723   1.923
  188    HA   ASP  27           HA       ASP  27 -10.342   4.853   1.875
  189   1HB   ASP  27           HB2      ASP  27 -10.218   2.420   2.497
  190   2HB   ASP  27           HB1      ASP  27  -9.184   2.849   1.133
  191    H    ASN  28           HN       ASN  28  -8.155   5.356   4.409
  192    HA   ASN  28           HA       ASN  28  -8.610   6.081   6.597
  193   1HB   ASN  28           HB2      ASN  28 -11.092   6.281   5.537
  194   2HB   ASN  28           HB1      ASN  28 -11.357   4.946   6.658
  195   1HD2  ASN  28          HD22      ASN  28 -10.233   8.588   8.223
  196   2HD2  ASN  28          HD21      ASN  28  -9.738   8.180   6.652
  197    H    LYS  29           HN       LYS  29  -8.094   3.218   5.448
  198    HA   LYS  29           HA       LYS  29  -8.414   1.878   8.095
  199   1HB   LYS  29           HB2      LYS  29  -8.293   0.071   5.767
  200   2HB   LYS  29           HB1      LYS  29  -9.338   0.023   7.181
  201   1HG   LYS  29           HG2      LYS  29 -10.415   2.162   6.016
  202   2HG   LYS  29           HG1      LYS  29  -9.754   1.398   4.571
  203   1HD   LYS  29           HD2      LYS  29 -11.073  -0.526   4.828
  204   2HD   LYS  29           HD1      LYS  29 -11.357  -0.218   6.541
  205   1HE   LYS  29           HE2      LYS  29 -12.381   1.630   4.377
  206   2HE   LYS  29           HE1      LYS  29 -13.321   0.263   4.974
  207   1HZ   LYS  29           HZ1      LYS  29 -12.558   1.409   7.258
  208   2HZ   LYS  29           HZ3      LYS  29 -12.686   2.777   6.264
  209   3HZ   LYS  29           HZ2      LYS  29 -14.025   1.752   6.474
  210    H    THR  30           HN       THR  30  -6.964  -0.396   7.544
  211    HA   THR  30           HA       THR  30  -4.237   0.733   7.028
  212    HB   THR  30           HB       THR  30  -5.187  -1.538   8.799
  213    HG1  THR  30           HG1      THR  30  -3.643   0.773   9.323
  214   1HG2  THR  30          HG22      THR  30  -2.361  -0.775   8.007
  215   2HG2  THR  30          HG21      THR  30  -2.762  -1.858   9.339
  216   3HG2  THR  30          HG23      THR  30  -3.167  -2.309   7.683
  217    H    TYR  31           HN       TYR  31  -2.683  -0.975   6.152
  218    HA   TYR  31           HA       TYR  31  -4.074  -2.959   4.433
  219   1HB   TYR  31           HB2      TYR  31  -2.155  -0.794   3.571
  220   2HB   TYR  31           HB1      TYR  31  -2.132  -2.342   2.767
  221    HD1  TYR  31           HD2      TYR  31  -4.643  -3.325   2.334
  222    HD2  TYR  31           HD1      TYR  31  -3.549   0.820   2.640
  223    HE1  TYR  31           HE2      TYR  31  -6.684  -2.694   1.075
  224    HE2  TYR  31           HE1      TYR  31  -5.590   1.450   1.381
  225    HH   TYR  31           HH       TYR  31  -8.126  -0.786   0.758
  226    H    GLY  32           HN       GLY  32  -3.285  -4.927   4.883
  227   1HA   GLY  32           HA2      GLY  32  -1.585  -5.726   6.769
  228   2HA   GLY  32           HA1      GLY  32  -1.600  -6.596   5.251
  229    H    ASN  33           HN       ASN  33  -0.314  -4.948   3.507
  230    HA   ASN  33           HA       ASN  33   2.091  -3.859   4.747
  231   1HB   ASN  33           HB2      ASN  33   3.667  -5.384   3.642
  232   2HB   ASN  33           HB1      ASN  33   2.615  -6.264   4.742
  233   1HD2  ASN  33          HD22      ASN  33   2.474  -8.332   1.756
  234   2HD2  ASN  33          HD21      ASN  33   3.476  -8.041   3.092
  235    H    LYS  34           HN       LYS  34   3.764  -3.870   2.557
  236    HA   LYS  34           HA       LYS  34   2.855  -1.665   1.107
  237   1HB   LYS  34           HB2      LYS  34   4.627  -2.406  -0.618
  238   2HB   LYS  34           HB1      LYS  34   5.175  -2.084   1.026
  239   1HG   LYS  34           HG2      LYS  34   5.234  -4.434   1.554
  240   2HG   LYS  34           HG1      LYS  34   4.425  -4.853   0.044
  241   1HD   LYS  34           HD2      LYS  34   7.071  -3.397   0.080
  242   2HD   LYS  34           HD1      LYS  34   6.978  -5.157   0.112
  243   1HE   LYS  34           HE2      LYS  34   6.395  -5.278  -2.075
  244   2HE   LYS  34           HE1      LYS  34   5.261  -3.935  -1.934
  245   1HZ   LYS  34           HZ3      LYS  34   8.177  -3.481  -1.895
  246   2HZ   LYS  34           HZ2      LYS  34   7.332  -3.607  -3.363
  247   3HZ   LYS  34           HZ1      LYS  34   6.938  -2.381  -2.254
  248    H    CYS  35           HN       CYS  35   2.613  -5.118   0.187
  249    HA   CYS  35           HA       CYS  35   1.512  -4.663  -2.403
  250   1HB   CYS  35           HB2      CYS  35   2.331  -6.873  -1.670
  251   2HB   CYS  35           HB1      CYS  35   1.012  -6.971  -0.502
  252    H    ASN  36           HN       ASN  36  -0.269  -5.694   0.532
  253    HA   ASN  36           HA       ASN  36  -2.850  -5.245  -0.470
  254   1HB   ASN  36           HB2      ASN  36  -1.736  -5.049   2.328
  255   2HB   ASN  36           HB1      ASN  36  -3.449  -4.804   1.993
  256   1HD2  ASN  36          HD22      ASN  36  -1.846  -8.563   1.620
  257   2HD2  ASN  36          HD21      ASN  36  -0.817  -7.217   1.707
  258    H    PHE  37           HN       PHE  37  -0.476  -2.883   0.522
  259    HA   PHE  37           HA       PHE  37  -2.377  -0.717   0.915
  260   1HB   PHE  37           HB2      PHE  37  -0.217  -0.443   1.909
  261   2HB   PHE  37           HB1      PHE  37   0.595  -0.749   0.532
  262    HD1  PHE  37           HD1      PHE  37  -2.387   1.285   0.931
  263    HD2  PHE  37           HD2      PHE  37   1.786   1.242   0.036
  264    HE1  PHE  37           HE1      PHE  37  -2.529   3.672   0.221
  265    HE2  PHE  37           HE2      PHE  37   1.671   3.621  -0.673
  266    HZ   PHE  37           HZ       PHE  37  -0.508   4.831  -0.587
  267    H    CYS  38           HN       CYS  38   0.132  -1.051  -1.505
  268    HA   CYS  38           HA       CYS  38  -0.806   0.881  -3.306
  269   1HB   CYS  38           HB2      CYS  38   1.343   0.255  -3.850
  270   2HB   CYS  38           HB1      CYS  38   1.050  -1.445  -3.509
  271    H    ASN  39           HN       ASN  39  -1.499  -2.649  -3.340
  272    HA   ASN  39           HA       ASN  39  -2.992  -2.837  -5.660
  273   1HB   ASN  39           HB2      ASN  39  -3.074  -4.132  -2.993
  274   2HB   ASN  39           HB1      ASN  39  -4.553  -4.263  -3.930
  275   1HD2  ASN  39          HD22      ASN  39  -1.645  -6.731  -4.832
  276   2HD2  ASN  39          HD21      ASN  39  -1.862  -5.974  -3.335
  277    H    ALA  40           HN       ALA  40  -3.777  -1.222  -2.672
  278    HA   ALA  40           HA       ALA  40  -6.553  -0.660  -3.286
  279   1HB   ALA  40           HB3      ALA  40  -5.107  -0.458  -1.018
  280   2HB   ALA  40           HB2      ALA  40  -4.933   1.200  -1.592
  281   3HB   ALA  40           HB1      ALA  40  -6.539   0.534  -1.295
  282    H    VAL  41           HN       VAL  41  -3.508   1.141  -3.457
  283    HA   VAL  41           HA       VAL  41  -4.397   3.536  -4.649
  284    HB   VAL  41           HB       VAL  41  -1.831   1.974  -5.059
  285   1HG1  VAL  41          HG11      VAL  41  -2.749   4.615  -6.104
  286   2HG1  VAL  41          HG13      VAL  41  -1.074   4.477  -5.575
  287   3HG1  VAL  41          HG12      VAL  41  -1.687   3.422  -6.848
  288   1HG2  VAL  41          HG23      VAL  41  -2.501   2.820  -2.742
  289   2HG2  VAL  41          HG22      VAL  41  -0.924   3.335  -3.341
  290   3HG2  VAL  41          HG21      VAL  41  -2.293   4.446  -3.396
  291    H    VAL  42           HN       VAL  42  -2.892   0.812  -6.436
  292    HA   VAL  42           HA       VAL  42  -3.554   1.732  -8.998
  293    HB   VAL  42           HB       VAL  42  -1.865   0.079  -8.803
  294   1HG1  VAL  42          HG13      VAL  42  -3.443  -0.964  -6.744
  295   2HG1  VAL  42          HG12      VAL  42  -3.382  -2.235  -7.966
  296   3HG1  VAL  42          HG11      VAL  42  -1.885  -1.578  -7.302
  297   1HG2  VAL  42          HG22      VAL  42  -3.606  -0.132 -10.698
  298   2HG2  VAL  42          HG21      VAL  42  -2.509  -1.486 -10.423
  299   3HG2  VAL  42          HG23      VAL  42  -4.165  -1.557  -9.821
  300    H    GLU  43           HN       GLU  43  -5.604   0.108  -6.661
  301    HA   GLU  43           HA       GLU  43  -7.555  -0.573  -8.778
  302   1HB   GLU  43           HB2      GLU  43  -6.966  -1.850  -6.448
  303   2HB   GLU  43           HB1      GLU  43  -8.346  -0.889  -5.945
  304   1HG   GLU  43           HG2      GLU  43  -8.784  -2.079  -8.556
  305   2HG   GLU  43           HG1      GLU  43  -8.431  -3.307  -7.338
  306    H    SER  44           HN       SER  44  -6.804   1.992  -6.653
  307    HA   SER  44           HA       SER  44  -9.588   3.022  -6.760
  308   1HB   SER  44           HB2      SER  44  -9.070   4.361  -4.930
  309   2HB   SER  44           HB1      SER  44  -8.018   2.982  -4.635
  310    HG   SER  44           HG       SER  44  -6.410   4.219  -5.869
  311    H    ASN  45           HN       ASN  45  -7.084   3.047  -8.785
  312    HA   ASN  45           HA       ASN  45  -6.641   4.436 -10.636
  313   1HB   ASN  45           HB2      ASN  45  -9.182   5.196  -9.969
  314   2HB   ASN  45           HB1      ASN  45  -8.297   6.690  -9.684
  315   1HD2  ASN  45          HD22      ASN  45  -8.460   7.384 -13.132
  316   2HD2  ASN  45          HD21      ASN  45  -8.713   7.931 -11.546
  317    H    GLY  46           HN       GLY  46  -5.797   4.806  -7.578
  318   1HA   GLY  46           HA2      GLY  46  -3.914   5.916  -6.698
  319   2HA   GLY  46           HA1      GLY  46  -3.787   6.847  -8.182
  320    H    THR  47           HN       THR  47  -6.876   6.720  -6.652
  321    HA   THR  47           HA       THR  47  -6.638   9.595  -5.981
  322    HB   THR  47           HB       THR  47  -8.632   8.652  -7.236
  323    HG1  THR  47           HG1      THR  47  -9.751  10.204  -6.366
  324   1HG2  THR  47          HG22      THR  47  -8.585   6.859  -5.011
  325   2HG2  THR  47          HG21      THR  47 -10.102   7.758  -4.963
  326   3HG2  THR  47          HG23      THR  47  -9.665   6.842  -6.405
  327    H    LEU  48           HN       LEU  48  -5.982   6.738  -4.453
  328    HA   LEU  48           HA       LEU  48  -7.108   7.417  -1.838
  329   1HB   LEU  48           HB2      LEU  48  -7.162   5.137  -2.015
  330   2HB   LEU  48           HB1      LEU  48  -5.882   5.114  -3.212
  331    HG   LEU  48           HG       LEU  48  -4.812   5.888  -0.622
  332   1HD1  LEU  48          HD11      LEU  48  -6.905   3.928  -0.618
  333   2HD1  LEU  48          HD13      LEU  48  -5.365   3.168  -0.216
  334   3HD1  LEU  48          HD12      LEU  48  -5.948   4.536   0.733
  335   1HD2  LEU  48          HD22      LEU  48  -4.242   4.230  -2.919
  336   2HD2  LEU  48          HD21      LEU  48  -3.125   4.894  -1.728
  337   3HD2  LEU  48          HD23      LEU  48  -3.916   3.348  -1.427
  338    H    THR  49           HN       THR  49  -3.894   6.424  -2.832
  339    HA   THR  49           HA       THR  49  -1.798   7.383  -2.479
  340    HB   THR  49           HB       THR  49  -1.545   9.536  -1.742
  341    HG1  THR  49           HG1      THR  49  -3.338  10.476  -0.405
  342   1HG2  THR  49          HG23      THR  49  -3.702   9.026  -3.422
  343   2HG2  THR  49          HG22      THR  49  -4.286  10.245  -2.290
  344   3HG2  THR  49          HG21      THR  49  -2.838  10.553  -3.248
  345    H    LEU  50           HN       LEU  50  -0.293   7.293  -0.773
  346    HA   LEU  50           HA       LEU  50  -0.985   5.412   1.299
  347   1HB   LEU  50           HB2      LEU  50   1.207   5.258   0.442
  348   2HB   LEU  50           HB1      LEU  50   1.457   6.997   0.502
  349    HG   LEU  50           HG       LEU  50   1.341   6.825   3.024
  350   1HD1  LEU  50          HD11      LEU  50   0.168   4.607   3.011
  351   2HD1  LEU  50          HD13      LEU  50   1.658   3.870   2.423
  352   3HD1  LEU  50          HD12      LEU  50   1.615   4.624   4.018
  353   1HD2  LEU  50          HD22      LEU  50   3.411   6.533   1.275
  354   2HD2  LEU  50          HD21      LEU  50   3.609   6.621   3.026
  355   3HD2  LEU  50          HD23      LEU  50   3.565   5.052   2.222
  356    H    SER  51           HN       SER  51  -1.772   5.951   3.304
  357    HA   SER  51           HA       SER  51  -2.014   8.753   4.086
  358   1HB   SER  51           HB2      SER  51  -3.671   6.981   4.491
  359   2HB   SER  51           HB1      SER  51  -2.798   6.281   5.751
  360    HG   SER  51           HG       SER  51  -3.520   9.030   5.618
  361    H    HIS  52           HN       HIS  52   0.070   6.140   4.631
  362    HA   HIS  52           HA       HIS  52   2.323   7.322   5.486
  363   1HB   HIS  52           HB2      HIS  52   2.243   7.414   8.006
  364   2HB   HIS  52           HB1      HIS  52   1.283   8.652   7.206
  365    HD1  HIS  52           HD1      HIS  52   1.005   5.495   9.185
  366    HD2  HIS  52           HD2      HIS  52  -1.554   8.317   7.493
  367    HE1  HIS  52           HE1      HIS  52  -1.289   4.993  10.102
  368    H    PHE  53           HN       PHE  53   3.666   5.944   7.180
  369    HA   PHE  53           HA       PHE  53   3.204   3.135   6.485
  370   1HB   PHE  53           HB2      PHE  53   5.369   4.566   8.036
  371   2HB   PHE  53           HB1      PHE  53   5.341   2.815   7.825
  372    HD1  PHE  53           HD2      PHE  53   5.363   6.045   5.988
  373    HD2  PHE  53           HD1      PHE  53   6.036   1.808   5.784
  374    HE1  PHE  53           HE2      PHE  53   6.339   6.311   3.731
  375    HE2  PHE  53           HE1      PHE  53   7.018   2.074   3.522
  376    HZ   PHE  53           HZ       PHE  53   7.170   4.326   2.493
  377    H    GLY  54           HN       GLY  54   3.060   1.454   8.085
  378   1HA   GLY  54           HA2      GLY  54   2.509   0.542  10.211
  379   2HA   GLY  54           HA1      GLY  54   2.395   2.143  10.850
  380    H    LYS  55           HN       LYS  55   0.365   0.970  11.774
  381    HA   LYS  55           HA       LYS  55  -1.889   0.978   9.870
  382   1HB   LYS  55           HB2      LYS  55  -2.522   0.624  12.725
  383   2HB   LYS  55           HB1      LYS  55  -2.953  -0.387  11.346
  384   1HG   LYS  55           HG2      LYS  55  -0.385  -1.010  11.393
  385   2HG   LYS  55           HG1      LYS  55  -0.500  -0.481  13.072
  386   1HD   LYS  55           HD2      LYS  55  -2.551  -2.020  13.244
  387   2HD   LYS  55           HD1      LYS  55  -2.016  -2.712  11.711
  388   1HE   LYS  55           HE2      LYS  55  -0.029  -3.551  12.633
  389   2HE   LYS  55           HE1      LYS  55  -0.083  -2.438  14.001
  390   1HZ   LYS  55           HZ2      LYS  55  -2.274  -4.356  13.680
  391   2HZ   LYS  55           HZ1      LYS  55  -0.785  -4.932  14.258
  392   3HZ   LYS  55           HZ3      LYS  55  -1.601  -3.706  15.099
  393    H    CYS  56           HN       CYS  56  -3.631   2.459  10.033
  394    HA   CYS  56           HA       CYS  56  -2.994   5.110  10.846
  395   1HB   CYS  56           HB2      CYS  56  -5.261   3.716   9.688
  396   2HB   CYS  56           HB1      CYS  56  -5.789   4.927  10.857
   
  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  10.658  17.050   1.995
    2   2H    LEU   1           HT3      LEU   1  12.215  17.609   1.618
    3   3H    LEU   1           HT2      LEU   1  10.975  18.718   1.966
    4    HA   LEU   1           HA       LEU   1  10.049  18.576  -0.069
    5   1HB   LEU   1           HB2      LEU   1  12.922  18.306  -0.097
    6   2HB   LEU   1           HB1      LEU   1  12.232  17.506  -1.511
    7    HG   LEU   1           HG       LEU   1  12.699  19.907  -1.943
    8   1HD1  LEU   1          HD11      LEU   1   9.995  18.683  -2.070
    9   2HD1  LEU   1          HD13      LEU   1  10.070  20.424  -2.344
   10   3HD1  LEU   1          HD12      LEU   1  11.002  19.331  -3.366
   11   1HD2  LEU   1          HD21      LEU   1  11.927  20.325   0.622
   12   2HD2  LEU   1          HD23      LEU   1  11.920  21.596  -0.601
   13   3HD2  LEU   1          HD22      LEU   1  10.429  20.740  -0.212
   14    H    ALA   2           HN       ALA   2  10.630  16.905  -2.284
   15    HA   ALA   2           HA       ALA   2   9.953  14.865  -3.223
   16   1HB   ALA   2           HB3      ALA   2  11.537  14.229  -0.982
   17   2HB   ALA   2           HB2      ALA   2  10.108  13.203  -0.853
   18   3HB   ALA   2           HB1      ALA   2  11.101  13.152  -2.309
   19    H    ALA   3           HN       ALA   3   8.483  12.751  -2.156
   20    HA   ALA   3           HA       ALA   3   6.105  14.064  -0.922
   21   1HB   ALA   3           HB1      ALA   3   5.953  13.753  -3.485
   22   2HB   ALA   3           HB3      ALA   3   5.833  12.028  -3.133
   23   3HB   ALA   3           HB2      ALA   3   4.616  13.142  -2.511
   24    H    VAL   4           HN       VAL   4   4.686  12.532   0.183
   25    HA   VAL   4           HA       VAL   4   6.184  10.113   1.080
   26    HB   VAL   4           HB       VAL   4   5.673  11.508   2.944
   27   1HG1  VAL   4          HG11      VAL   4   2.940  11.736   1.667
   28   2HG1  VAL   4          HG13      VAL   4   3.261  12.237   3.328
   29   3HG1  VAL   4          HG12      VAL   4   4.092  13.031   1.991
   30   1HG2  VAL   4          HG21      VAL   4   5.123   9.105   3.265
   31   2HG2  VAL   4          HG23      VAL   4   4.088  10.150   4.239
   32   3HG2  VAL   4          HG22      VAL   4   3.467   9.432   2.753
   33    H    SER   5           HN       SER   5   5.548   8.444  -0.243
   34    HA   SER   5           HA       SER   5   2.972   7.277   0.013
   35   1HB   SER   5           HB2      SER   5   1.909   7.792  -2.082
   36   2HB   SER   5           HB1      SER   5   2.366   9.331  -1.357
   37    HG   SER   5           HG       SER   5   3.598   9.661  -3.018
   38    H    VAL   6           HN       VAL   6   3.049   5.185  -0.801
   39    HA   VAL   6           HA       VAL   6   5.612   4.291  -1.897
   40    HB   VAL   6           HB       VAL   6   3.063   2.703  -1.477
   41   1HG1  VAL   6          HG12      VAL   6   5.815   2.081  -2.336
   42   2HG1  VAL   6          HG11      VAL   6   5.203   1.040  -1.051
   43   3HG1  VAL   6          HG13      VAL   6   4.327   1.166  -2.577
   44   1HG2  VAL   6          HG23      VAL   6   4.990   3.837   0.413
   45   2HG2  VAL   6          HG22      VAL   6   3.420   3.099   0.725
   46   3HG2  VAL   6          HG21      VAL   6   4.853   2.085   0.561
   47    H    ASP   7           HN       ASP   7   6.027   3.845  -4.034
   48    HA   ASP   7           HA       ASP   7   4.067   4.666  -6.032
   49   1HB   ASP   7           HB2      ASP   7   6.568   4.967  -6.267
   50   2HB   ASP   7           HB1      ASP   7   6.693   3.220  -6.483
   51    H    CYS   8           HN       CYS   8   2.697   3.340  -7.180
   52    HA   CYS   8           HA       CYS   8   3.058   0.395  -6.815
   53   1HB   CYS   8           HB2      CYS   8   0.410   1.849  -7.054
   54   2HB   CYS   8           HB1      CYS   8   0.653   0.138  -6.699
   55    H    SER   9           HN       SER   9   4.298   1.175  -8.971
   56    HA   SER   9           HA       SER   9   2.443   1.373 -11.256
   57   1HB   SER   9           HB2      SER   9   4.779   2.579 -10.931
   58   2HB   SER   9           HB1      SER   9   5.400   1.069 -11.591
   59    HG   SER   9           HG       SER   9   3.542   1.518 -13.194
   60    H    GLU  10           HN       GLU  10   4.591  -0.929  -9.747
   61    HA   GLU  10           HA       GLU  10   4.345  -2.877 -11.925
   62   1HB   GLU  10           HB2      GLU  10   5.260  -3.589  -9.153
   63   2HB   GLU  10           HB1      GLU  10   5.832  -4.204 -10.706
   64   1HG   GLU  10           HG2      GLU  10   6.354  -1.463  -9.521
   65   2HG   GLU  10           HG1      GLU  10   7.538  -2.735  -9.823
   66    H    TYR  11           HN       TYR  11   2.221  -1.798  -9.674
   67    HA   TYR  11           HA       TYR  11   1.063  -4.399  -8.950
   68   1HB   TYR  11           HB2      TYR  11   0.527  -1.509  -8.244
   69   2HB   TYR  11           HB1      TYR  11  -0.588  -2.778  -7.758
   70    HD1  TYR  11           HD1      TYR  11   0.122  -4.544  -6.167
   71    HD2  TYR  11           HD2      TYR  11   2.761  -1.366  -7.333
   72    HE1  TYR  11           HE1      TYR  11   1.651  -5.122  -4.293
   73    HE2  TYR  11           HE2      TYR  11   4.280  -1.932  -5.458
   74    HH   TYR  11           HH       TYR  11   3.883  -3.157  -3.079
   75    HA   PRO  12           HA       PRO  12  -1.060  -4.443  -8.077
   76   1HB   PRO  12           HB2      PRO  12  -3.172  -6.144  -8.545
   77   2HB   PRO  12           HB1      PRO  12  -3.360  -4.423  -8.177
   78   1HG   PRO  12           HG2      PRO  12  -3.777  -5.820 -10.749
   79   2HG   PRO  12           HG1      PRO  12  -4.347  -4.221 -10.243
   80   1HD   PRO  12           HD2      PRO  12  -2.095  -4.843 -11.923
   81   2HD   PRO  12           HD1      PRO  12  -2.648  -3.236 -11.455
   82    H    LYS  13           HN       LYS  13  -0.447  -6.440  -7.142
   83    HA   LYS  13           HA       LYS  13   0.763  -8.364  -9.069
   84   1HB   LYS  13           HB2      LYS  13   1.526  -7.270  -6.454
   85   2HB   LYS  13           HB1      LYS  13   1.699  -9.020  -6.556
   86   1HG   LYS  13           HG2      LYS  13   2.889  -8.594  -8.802
   87   2HG   LYS  13           HG1      LYS  13   2.995  -6.912  -8.280
   88   1HD   LYS  13           HD2      LYS  13   4.233  -7.530  -6.301
   89   2HD   LYS  13           HD1      LYS  13   3.978  -9.246  -6.620
   90   1HE   LYS  13           HE2      LYS  13   5.115  -8.495  -8.966
   91   2HE   LYS  13           HE1      LYS  13   5.899  -7.363  -7.865
   92   1HZ   LYS  13           HZ2      LYS  13   5.782 -10.308  -7.501
   93   2HZ   LYS  13           HZ1      LYS  13   7.130  -9.442  -8.063
   94   3HZ   LYS  13           HZ3      LYS  13   6.574  -9.206  -6.479
   95    HA   PRO  14           HA       PRO  14  -2.251 -11.318  -7.718
   96   1HB   PRO  14           HB2      PRO  14  -1.106 -13.508  -8.920
   97   2HB   PRO  14           HB1      PRO  14  -2.023 -12.276  -9.803
   98   1HG   PRO  14           HG2      PRO  14   0.919 -12.729  -9.726
   99   2HG   PRO  14           HG1      PRO  14  -0.065 -11.972 -10.989
  100   1HD   PRO  14           HD2      PRO  14   1.541 -10.619  -9.107
  101   2HD   PRO  14           HD1      PRO  14   0.322  -9.884 -10.128
  102    H    ALA  15           HN       ALA  15   0.541 -10.823  -6.286
  103    HA   ALA  15           HA       ALA  15   0.158 -12.915  -4.284
  104   1HB   ALA  15           HB2      ALA  15   2.594 -12.883  -6.078
  105   2HB   ALA  15           HB1      ALA  15   2.608 -13.643  -4.487
  106   3HB   ALA  15           HB3      ALA  15   1.516 -14.236  -5.738
  107    H    CYS  16           HN       CYS  16   1.123 -12.310  -2.296
  108    HA   CYS  16           HA       CYS  16   2.578  -9.694  -2.348
  109   1HB   CYS  16           HB2      CYS  16   0.635 -10.657  -0.227
  110   2HB   CYS  16           HB1      CYS  16   1.455  -9.098  -0.266
  111    H    THR  17           HN       THR  17   4.185  -9.415  -0.695
  112    HA   THR  17           HA       THR  17   5.736 -11.738  -0.101
  113    HB   THR  17           HB       THR  17   6.701 -10.019   1.706
  114    HG1  THR  17           HG1      THR  17   5.237  -8.438   1.630
  115   1HG2  THR  17          HG22      THR  17   6.918  -9.688  -1.300
  116   2HG2  THR  17          HG21      THR  17   8.048  -9.014  -0.125
  117   3HG2  THR  17          HG23      THR  17   7.893 -10.763  -0.297
  118    H    LEU  18           HN       LEU  18   6.392 -11.654   2.592
  119    HA   LEU  18           HA       LEU  18   3.782 -12.238   3.916
  120   1HB   LEU  18           HB2      LEU  18   4.778 -14.148   5.003
  121   2HB   LEU  18           HB1      LEU  18   5.110 -14.290   3.278
  122    HG   LEU  18           HG       LEU  18   7.224 -12.755   4.330
  123   1HD1  LEU  18          HD12      LEU  18   6.446 -15.081   6.102
  124   2HD1  LEU  18          HD11      LEU  18   8.091 -14.448   6.038
  125   3HD1  LEU  18          HD13      LEU  18   6.769 -13.415   6.583
  126   1HD2  LEU  18          HD23      LEU  18   7.052 -14.637   2.523
  127   2HD2  LEU  18          HD22      LEU  18   8.553 -14.473   3.433
  128   3HD2  LEU  18          HD21      LEU  18   7.391 -15.726   3.867
  129    H    GLU  19           HN       GLU  19   6.848 -10.639   4.125
  130    HA   GLU  19           HA       GLU  19   7.172 -10.444   6.926
  131   1HB   GLU  19           HB2      GLU  19   8.266  -8.214   6.391
  132   2HB   GLU  19           HB1      GLU  19   8.917  -9.591   5.503
  133   1HG   GLU  19           HG2      GLU  19   6.636  -8.203   4.216
  134   2HG   GLU  19           HG1      GLU  19   8.138  -7.284   4.306
  135    H    TYR  20           HN       TYR  20   6.929  -7.809   7.628
  136    HA   TYR  20           HA       TYR  20   4.058  -7.198   7.159
  137   1HB   TYR  20           HB2      TYR  20   4.401  -8.464   9.313
  138   2HB   TYR  20           HB1      TYR  20   5.277  -7.057   9.914
  139    HD1  TYR  20           HD2      TYR  20   2.267  -7.303   7.702
  140    HD2  TYR  20           HD1      TYR  20   3.855  -6.009  11.480
  141    HE1  TYR  20           HE2      TYR  20   0.111  -6.204   8.227
  142    HE2  TYR  20           HE1      TYR  20   1.694  -4.910  12.008
  143    HH   TYR  20           HH       TYR  20  -1.147  -5.469  10.183
  144    H    ARG  21           HN       ARG  21   3.661  -5.189   6.784
  145    HA   ARG  21           HA       ARG  21   5.138  -2.950   7.926
  146   1HB   ARG  21           HB2      ARG  21   5.501  -3.772   5.045
  147   2HB   ARG  21           HB1      ARG  21   5.559  -2.065   5.488
  148   1HG   ARG  21           HG2      ARG  21   7.137  -3.419   7.399
  149   2HG   ARG  21           HG1      ARG  21   7.589  -4.088   5.831
  150   1HD   ARG  21           HD2      ARG  21   8.179  -1.959   4.969
  151   2HD   ARG  21           HD1      ARG  21   7.342  -1.111   6.269
  152    HE   ARG  21           HE       ARG  21  10.053  -1.848   6.381
  153   1HH1  ARG  21          HH11      ARG  21   7.197  -1.653   8.252
  154   2HH1  ARG  21          HH12      ARG  21   7.973  -2.058   9.747
  155   1HH2  ARG  21          HH21      ARG  21  11.062  -2.652   8.286
  156   2HH2  ARG  21          HH22      ARG  21  10.162  -2.624   9.765
  157    HA   PRO  22           HA       PRO  22   0.657  -2.598   6.980
  158   1HB   PRO  22           HB2      PRO  22   0.120  -1.177   9.295
  159   2HB   PRO  22           HB1      PRO  22   0.053  -2.953   9.153
  160   1HG   PRO  22           HG2      PRO  22   2.193  -1.227  10.354
  161   2HG   PRO  22           HG1      PRO  22   1.677  -2.859  10.818
  162   1HD   PRO  22           HD2      PRO  22   3.972  -2.336   9.356
  163   2HD   PRO  22           HD1      PRO  22   3.090  -3.879   9.293
  164    H    LEU  23           HN       LEU  23   0.308  -1.044   5.431
  165    HA   LEU  23           HA       LEU  23   1.176   1.731   6.147
  166   1HB   LEU  23           HB2      LEU  23   0.498   0.790   3.367
  167   2HB   LEU  23           HB1      LEU  23   1.513   2.150   3.857
  168    HG   LEU  23           HG       LEU  23   2.626  -0.172   5.044
  169   1HD1  LEU  23          HD12      LEU  23   2.040  -0.482   2.091
  170   2HD1  LEU  23          HD11      LEU  23   3.112  -1.516   3.034
  171   3HD1  LEU  23          HD13      LEU  23   1.385  -1.486   3.386
  172   1HD2  LEU  23          HD21      LEU  23   3.368   2.082   3.503
  173   2HD2  LEU  23          HD23      LEU  23   4.421   0.986   4.398
  174   3HD2  LEU  23          HD22      LEU  23   4.045   0.661   2.705
  175    H    CYS  24           HN       CYS  24  -0.420   3.344   6.055
  176    HA   CYS  24           HA       CYS  24  -3.189   2.267   5.864
  177   1HB   CYS  24           HB2      CYS  24  -2.799   3.554   7.869
  178   2HB   CYS  24           HB1      CYS  24  -2.143   4.880   6.952
  179    H    GLY  25           HN       GLY  25  -4.807   3.521   4.653
  180   1HA   GLY  25           HA2      GLY  25  -3.650   4.986   2.343
  181   2HA   GLY  25           HA1      GLY  25  -4.779   3.769   2.138
  182    H    SER  26           HN       SER  26  -5.378   6.146   1.062
  183    HA   SER  26           HA       SER  26  -6.533   8.123   2.694
  184   1HB   SER  26           HB2      SER  26  -6.349   8.784   0.484
  185   2HB   SER  26           HB1      SER  26  -6.949   7.250  -0.140
  186    HG   SER  26           HG       SER  26  -8.326   9.484   0.810
  187    H    ASP  27           HN       ASP  27  -8.075   5.129   1.478
  188    HA   ASP  27           HA       ASP  27 -10.742   5.710   2.143
  189   1HB   ASP  27           HB2      ASP  27 -10.773   3.139   2.772
  190   2HB   ASP  27           HB1      ASP  27 -10.544   3.654   1.102
  191    H    ASN  28           HN       ASN  28  -8.066   5.319   4.253
  192    HA   ASN  28           HA       ASN  28  -8.022   5.959   6.543
  193   1HB   ASN  28           HB2      ASN  28 -10.544   6.686   6.026
  194   2HB   ASN  28           HB1      ASN  28 -10.879   5.251   6.993
  195   1HD2  ASN  28          HD22      ASN  28 -10.096   6.862  10.014
  196   2HD2  ASN  28          HD21      ASN  28 -10.833   5.551   9.225
  197    H    LYS  29           HN       LYS  29  -7.790   3.259   5.246
  198    HA   LYS  29           HA       LYS  29  -8.309   1.659   7.711
  199   1HB   LYS  29           HB2      LYS  29  -8.094  -0.176   5.606
  200   2HB   LYS  29           HB1      LYS  29  -9.564   0.296   6.444
  201   1HG   LYS  29           HG2      LYS  29  -9.697   2.257   4.809
  202   2HG   LYS  29           HG1      LYS  29  -8.435   1.432   3.896
  203   1HD   LYS  29           HD2      LYS  29 -11.118   0.229   4.640
  204   2HD   LYS  29           HD1      LYS  29 -10.696   0.858   3.048
  205   1HE   LYS  29           HE2      LYS  29  -9.597  -1.035   2.501
  206   2HE   LYS  29           HE1      LYS  29  -8.693  -1.021   4.015
  207   1HZ   LYS  29           HZ2      LYS  29 -11.507  -1.728   4.201
  208   2HZ   LYS  29           HZ1      LYS  29 -10.505  -2.860   3.425
  209   3HZ   LYS  29           HZ3      LYS  29 -10.166  -2.378   5.015
  210    H    THR  30           HN       THR  30  -6.841  -0.452   7.499
  211    HA   THR  30           HA       THR  30  -4.085   0.566   6.963
  212    HB   THR  30           HB       THR  30  -5.073  -1.632   8.806
  213    HG1  THR  30           HG1      THR  30  -5.031   0.848   9.196
  214   1HG2  THR  30          HG23      THR  30  -2.290  -0.793   7.986
  215   2HG2  THR  30          HG22      THR  30  -2.597  -1.586   9.531
  216   3HG2  THR  30          HG21      THR  30  -2.977  -2.417   8.021
  217    H    TYR  31           HN       TYR  31  -2.544  -1.076   6.152
  218    HA   TYR  31           HA       TYR  31  -3.840  -3.187   4.505
  219   1HB   TYR  31           HB2      TYR  31  -1.633  -1.266   3.627
  220   2HB   TYR  31           HB1      TYR  31  -2.083  -2.716   2.780
  221    HD1  TYR  31           HD2      TYR  31  -4.396  -3.011   1.870
  222    HD2  TYR  31           HD1      TYR  31  -3.006   0.705   3.512
  223    HE1  TYR  31           HE2      TYR  31  -6.279  -1.825   0.781
  224    HE2  TYR  31           HE1      TYR  31  -4.889   1.891   2.426
  225    HH   TYR  31           HH       TYR  31  -6.404   1.570   0.530
  226    H    GLY  32           HN       GLY  32  -3.053  -5.126   5.109
  227   1HA   GLY  32           HA2      GLY  32  -1.350  -5.749   7.087
  228   2HA   GLY  32           HA1      GLY  32  -1.375  -6.747   5.648
  229    H    ASN  33           HN       ASN  33  -0.130  -5.296   3.743
  230    HA   ASN  33           HA       ASN  33   2.289  -4.073   4.864
  231   1HB   ASN  33           HB2      ASN  33   3.835  -5.603   3.678
  232   2HB   ASN  33           HB1      ASN  33   2.917  -6.426   4.932
  233   1HD2  ASN  33          HD22      ASN  33   2.610  -8.708   2.112
  234   2HD2  ASN  33          HD21      ASN  33   3.723  -8.275   3.315
  235    H    LYS  34           HN       LYS  34   3.877  -4.041   2.644
  236    HA   LYS  34           HA       LYS  34   2.815  -1.929   1.166
  237   1HB   LYS  34           HB2      LYS  34   4.511  -2.852  -0.669
  238   2HB   LYS  34           HB1      LYS  34   5.084  -2.104   0.819
  239   1HG   LYS  34           HG2      LYS  34   5.824  -4.081   1.695
  240   2HG   LYS  34           HG1      LYS  34   4.532  -5.026   0.954
  241   1HD   LYS  34           HD2      LYS  34   6.836  -3.818  -0.606
  242   2HD   LYS  34           HD1      LYS  34   6.833  -5.473   0.002
  243   1HE   LYS  34           HE2      LYS  34   4.358  -4.909  -1.393
  244   2HE   LYS  34           HE1      LYS  34   5.743  -4.564  -2.429
  245   1HZ   LYS  34           HZ3      LYS  34   5.516  -7.070  -0.872
  246   2HZ   LYS  34           HZ2      LYS  34   4.894  -6.920  -2.445
  247   3HZ   LYS  34           HZ1      LYS  34   6.559  -6.732  -2.166
  248    H    CYS  35           HN       CYS  35   3.071  -5.293  -0.103
  249    HA   CYS  35           HA       CYS  35   1.694  -4.991  -2.454
  250   1HB   CYS  35           HB2      CYS  35   2.615  -7.147  -1.632
  251   2HB   CYS  35           HB1      CYS  35   1.262  -7.267  -0.509
  252    H    ASN  36           HN       ASN  36   0.013  -5.968   0.557
  253    HA   ASN  36           HA       ASN  36  -2.606  -5.695  -0.366
  254   1HB   ASN  36           HB2      ASN  36  -1.372  -5.272   2.342
  255   2HB   ASN  36           HB1      ASN  36  -3.094  -4.976   2.095
  256   1HD2  ASN  36          HD22      ASN  36  -1.668  -8.807   2.022
  257   2HD2  ASN  36          HD21      ASN  36  -0.592  -7.494   2.028
  258    H    PHE  37           HN       PHE  37  -0.413  -3.130   0.682
  259    HA   PHE  37           HA       PHE  37  -2.407  -1.049   0.745
  260   1HB   PHE  37           HB2      PHE  37  -0.302  -0.741   1.871
  261   2HB   PHE  37           HB1      PHE  37   0.590  -0.907   0.518
  262    HD1  PHE  37           HD1      PHE  37  -2.506   0.966   1.084
  263    HD2  PHE  37           HD2      PHE  37   1.609   1.070  -0.019
  264    HE1  PHE  37           HE1      PHE  37  -2.729   3.390   0.522
  265    HE2  PHE  37           HE2      PHE  37   1.418   3.484  -0.582
  266    HZ   PHE  37           HZ       PHE  37  -0.763   4.632  -0.314
  267    H    CYS  38           HN       CYS  38   0.175  -1.604  -1.570
  268    HA   CYS  38           HA       CYS  38  -0.581   0.244  -3.539
  269   1HB   CYS  38           HB2      CYS  38   1.029  -2.266  -3.530
  270   2HB   CYS  38           HB1      CYS  38   0.517  -1.640  -5.097
  271    H    ASN  39           HN       ASN  39  -1.892  -2.975  -2.914
  272    HA   ASN  39           HA       ASN  39  -3.291  -3.216  -5.403
  273   1HB   ASN  39           HB2      ASN  39  -3.327  -4.529  -2.764
  274   2HB   ASN  39           HB1      ASN  39  -4.890  -4.500  -3.562
  275   1HD2  ASN  39          HD22      ASN  39  -1.896  -6.725  -5.122
  276   2HD2  ASN  39          HD21      ASN  39  -1.569  -5.630  -3.880
  277    H    ALA  40           HN       ALA  40  -4.050  -1.712  -2.299
  278    HA   ALA  40           HA       ALA  40  -6.754  -0.924  -2.951
  279   1HB   ALA  40           HB1      ALA  40  -4.810  -0.508  -0.807
  280   2HB   ALA  40           HB3      ALA  40  -5.713   0.964  -1.161
  281   3HB   ALA  40           HB2      ALA  40  -6.572  -0.514  -0.727
  282    H    VAL  41           HN       VAL  41  -3.609   0.178  -3.806
  283    HA   VAL  41           HA       VAL  41  -4.456   2.885  -4.580
  284    HB   VAL  41           HB       VAL  41  -1.904   1.286  -4.878
  285   1HG1  VAL  41          HG11      VAL  41  -2.758   3.417  -6.537
  286   2HG1  VAL  41          HG13      VAL  41  -1.568   4.094  -5.427
  287   3HG1  VAL  41          HG12      VAL  41  -1.146   2.713  -6.440
  288   1HG2  VAL  41          HG21      VAL  41  -2.704   2.306  -2.654
  289   2HG2  VAL  41          HG23      VAL  41  -1.070   2.710  -3.179
  290   3HG2  VAL  41          HG22      VAL  41  -2.378   3.872  -3.397
  291    H    VAL  42           HN       VAL  42  -3.903  -0.244  -6.051
  292    HA   VAL  42           HA       VAL  42  -4.137   0.762  -8.789
  293    HB   VAL  42           HB       VAL  42  -3.752  -1.492  -9.447
  294   1HG1  VAL  42          HG11      VAL  42  -2.180  -0.290  -7.418
  295   2HG1  VAL  42          HG13      VAL  42  -2.263  -2.011  -7.050
  296   3HG1  VAL  42          HG12      VAL  42  -1.666  -1.474  -8.619
  297   1HG2  VAL  42          HG23      VAL  42  -5.350  -2.061  -7.107
  298   2HG2  VAL  42          HG22      VAL  42  -4.971  -3.115  -8.466
  299   3HG2  VAL  42          HG21      VAL  42  -3.879  -3.026  -7.089
  300    H    GLU  43           HN       GLU  43  -6.273  -0.181  -6.304
  301    HA   GLU  43           HA       GLU  43  -8.464  -0.896  -8.151
  302   1HB   GLU  43           HB2      GLU  43  -9.720  -1.066  -5.902
  303   2HB   GLU  43           HB1      GLU  43  -8.452  -2.235  -6.176
  304   1HG   GLU  43           HG2      GLU  43  -7.316  -1.487  -4.435
  305   2HG   GLU  43           HG1      GLU  43  -7.419   0.179  -4.994
  306    H    SER  44           HN       SER  44  -7.376   1.694  -6.064
  307    HA   SER  44           HA       SER  44  -9.857   3.225  -6.442
  308   1HB   SER  44           HB2      SER  44  -8.878   4.846  -4.965
  309   2HB   SER  44           HB1      SER  44  -8.481   3.260  -4.311
  310    HG   SER  44           HG       SER  44  -6.436   3.548  -4.834
  311    H    ASN  45           HN       ASN  45  -7.555   2.530  -8.542
  312    HA   ASN  45           HA       ASN  45  -6.968   3.577 -10.571
  313   1HB   ASN  45           HB2      ASN  45  -9.248   4.933  -9.872
  314   2HB   ASN  45           HB1      ASN  45  -8.050   6.222  -9.844
  315   1HD2  ASN  45          HD22      ASN  45  -8.903   6.347 -13.339
  316   2HD2  ASN  45          HD21      ASN  45  -9.313   7.007 -11.829
  317    H    GLY  46           HN       GLY  46  -5.888   4.136  -7.601
  318   1HA   GLY  46           HA2      GLY  46  -3.761   4.915  -6.944
  319   2HA   GLY  46           HA1      GLY  46  -3.541   5.632  -8.533
  320    H    THR  47           HN       THR  47  -6.537   6.373  -7.078
  321    HA   THR  47           HA       THR  47  -5.613   9.147  -6.589
  322    HB   THR  47           HB       THR  47  -7.695   8.698  -7.932
  323    HG1  THR  47           HG1      THR  47  -8.030  10.621  -7.191
  324   1HG2  THR  47          HG22      THR  47  -8.233   6.985  -5.730
  325   2HG2  THR  47          HG21      THR  47  -9.459   8.253  -5.717
  326   3HG2  THR  47          HG23      THR  47  -9.234   7.259  -7.157
  327    H    LEU  48           HN       LEU  48  -5.755   6.360  -4.845
  328    HA   LEU  48           HA       LEU  48  -6.926   7.357  -2.385
  329   1HB   LEU  48           HB2      LEU  48  -7.137   5.075  -2.425
  330   2HB   LEU  48           HB1      LEU  48  -5.734   4.871  -3.462
  331    HG   LEU  48           HG       LEU  48  -4.912   5.803  -0.842
  332   1HD1  LEU  48          HD13      LEU  48  -6.789   3.482  -1.042
  333   2HD1  LEU  48          HD12      LEU  48  -5.556   3.556   0.218
  334   3HD1  LEU  48          HD11      LEU  48  -6.793   4.810   0.118
  335   1HD2  LEU  48          HD23      LEU  48  -4.253   3.790  -2.864
  336   2HD2  LEU  48          HD22      LEU  48  -3.186   4.640  -1.746
  337   3HD2  LEU  48          HD21      LEU  48  -4.043   3.192  -1.218
  338    H    THR  49           HN       THR  49  -3.731   6.052  -2.992
  339    HA   THR  49           HA       THR  49  -1.604   6.848  -2.502
  340    HB   THR  49           HB       THR  49  -1.224   9.072  -2.124
  341    HG1  THR  49           HG1      THR  49  -2.422  10.314  -0.807
  342   1HG2  THR  49          HG21      THR  49  -3.145   8.452  -3.952
  343   2HG2  THR  49          HG23      THR  49  -3.931   9.726  -3.020
  344   3HG2  THR  49          HG22      THR  49  -2.377  10.032  -3.798
  345    H    LEU  50           HN       LEU  50  -0.297   6.851  -0.699
  346    HA   LEU  50           HA       LEU  50  -1.319   5.436   1.576
  347   1HB   LEU  50           HB2      LEU  50   0.930   5.029   0.842
  348   2HB   LEU  50           HB1      LEU  50   1.330   6.743   0.880
  349    HG   LEU  50           HG       LEU  50   0.486   6.162   3.485
  350   1HD1  LEU  50          HD11      LEU  50   1.387   3.775   2.172
  351   2HD1  LEU  50          HD13      LEU  50   2.557   4.237   3.408
  352   3HD1  LEU  50          HD12      LEU  50   0.866   3.982   3.845
  353   1HD2  LEU  50          HD22      LEU  50   2.432   7.558   2.433
  354   2HD2  LEU  50          HD21      LEU  50   2.656   6.856   4.034
  355   3HD2  LEU  50          HD23      LEU  50   3.364   6.073   2.622
  356    H    SER  51           HN       SER  51  -1.381   6.287   3.776
  357    HA   SER  51           HA       SER  51  -1.869   9.229   3.910
  358   1HB   SER  51           HB2      SER  51  -2.717   8.473   6.259
  359   2HB   SER  51           HB1      SER  51  -3.689   8.074   4.883
  360    HG   SER  51           HG       SER  51  -3.177   6.036   5.060
  361    H    HIS  52           HN       HIS  52  -0.172   6.565   5.299
  362    HA   HIS  52           HA       HIS  52   2.248   7.989   5.911
  363   1HB   HIS  52           HB2      HIS  52   2.122   7.963   8.371
  364   2HB   HIS  52           HB1      HIS  52   0.810   8.949   7.722
  365    HD1  HIS  52           HD1      HIS  52   0.733   7.241  10.495
  366    HD2  HIS  52           HD2      HIS  52  -0.996   6.192   6.861
  367    HE1  HIS  52           HE1      HIS  52  -1.113   5.570  11.011
  368    H    PHE  53           HN       PHE  53   3.761   6.508   7.114
  369    HA   PHE  53           HA       PHE  53   3.284   3.742   6.297
  370   1HB   PHE  53           HB2      PHE  53   5.590   5.058   7.756
  371   2HB   PHE  53           HB1      PHE  53   5.566   3.367   7.258
  372    HD1  PHE  53           HD1      PHE  53   5.609   2.741   4.878
  373    HD2  PHE  53           HD2      PHE  53   5.753   6.849   6.128
  374    HE1  PHE  53           HE1      PHE  53   6.318   3.409   2.598
  375    HE2  PHE  53           HE2      PHE  53   6.462   7.518   3.853
  376    HZ   PHE  53           HZ       PHE  53   6.748   5.800   2.083
  377    H    GLY  54           HN       GLY  54   2.737   2.070   7.609
  378   1HA   GLY  54           HA2      GLY  54   2.765   0.999   9.846
  379   2HA   GLY  54           HA1      GLY  54   2.496   2.565  10.539
  380    H    LYS  55           HN       LYS  55   0.622   1.345  11.576
  381    HA   LYS  55           HA       LYS  55  -1.667   0.873   9.787
  382   1HB   LYS  55           HB2      LYS  55  -2.087   0.911  12.724
  383   2HB   LYS  55           HB1      LYS  55  -2.612  -0.275  11.532
  384   1HG   LYS  55           HG2      LYS  55   0.058  -0.685  11.419
  385   2HG   LYS  55           HG1      LYS  55  -0.086  -0.148  13.094
  386   1HD   LYS  55           HD2      LYS  55  -2.081  -2.144  12.137
  387   2HD   LYS  55           HD1      LYS  55  -0.432  -2.716  12.393
  388   1HE   LYS  55           HE2      LYS  55  -1.382  -3.016  14.511
  389   2HE   LYS  55           HE1      LYS  55  -0.624  -1.432  14.670
  390   1HZ   LYS  55           HZ2      LYS  55  -3.072  -0.874  13.633
  391   2HZ   LYS  55           HZ1      LYS  55  -3.400  -2.137  14.720
  392   3HZ   LYS  55           HZ3      LYS  55  -2.633  -0.728  15.268
  393    H    CYS  56           HN       CYS  56  -3.639   2.101   9.940
  394    HA   CYS  56           HA       CYS  56  -3.211   4.934  10.386
  395   1HB   CYS  56           HB2      CYS  56  -5.153   3.294   9.087
  396   2HB   CYS  56           HB1      CYS  56  -6.002   4.316  10.248
   
  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           HT2      LEU   1  13.137  12.630   5.713
    2   2H    LEU   1           HT1      LEU   1  14.362  13.596   6.387
    3   3H    LEU   1           HT3      LEU   1  13.717  13.985   4.868
    4    HA   LEU   1           HA       LEU   1  15.597  12.956   4.171
    5   1HB   LEU   1           HB2      LEU   1  16.272  12.520   6.576
    6   2HB   LEU   1           HB1      LEU   1  15.369  11.007   6.482
    7    HG   LEU   1           HG       LEU   1  16.858  10.817   4.218
    8   1HD1  LEU   1          HD13      LEU   1  17.968  13.025   5.451
    9   2HD1  LEU   1          HD12      LEU   1  19.013  11.716   6.001
   10   3HD1  LEU   1          HD11      LEU   1  18.791  12.000   4.275
   11   1HD2  LEU   1          HD23      LEU   1  16.613   9.427   6.531
   12   2HD2  LEU   1          HD22      LEU   1  17.819   9.039   5.306
   13   3HD2  LEU   1          HD21      LEU   1  18.268  10.008   6.709
   14    H    ALA   2           HN       ALA   2  15.759  11.194   2.699
   15    HA   ALA   2           HA       ALA   2  14.939   9.440   1.370
   16   1HB   ALA   2           HB2      ALA   2  14.389   8.706   4.068
   17   2HB   ALA   2           HB1      ALA   2  12.967   8.298   3.109
   18   3HB   ALA   2           HB3      ALA   2  14.544   7.644   2.668
   19    H    ALA   3           HN       ALA   3  12.339   8.368   1.213
   20    HA   ALA   3           HA       ALA   3  10.771  10.820   0.521
   21   1HB   ALA   3           HB2      ALA   3  11.434   9.424  -1.424
   22   2HB   ALA   3           HB1      ALA   3  10.602   8.047  -0.700
   23   3HB   ALA   3           HB3      ALA   3   9.682   9.463  -1.212
   24    H    VAL   4           HN       VAL   4   8.286  10.166   0.418
   25    HA   VAL   4           HA       VAL   4   7.639   8.386   2.721
   26    HB   VAL   4           HB       VAL   4   6.274  11.051   2.322
   27   1HG1  VAL   4          HG12      VAL   4   6.254   8.836   4.305
   28   2HG1  VAL   4          HG11      VAL   4   6.152  10.470   4.958
   29   3HG1  VAL   4          HG13      VAL   4   4.946   9.904   3.801
   30   1HG2  VAL   4          HG22      VAL   4   8.675  10.405   4.064
   31   2HG2  VAL   4          HG21      VAL   4   8.659  11.504   2.685
   32   3HG2  VAL   4          HG23      VAL   4   7.745  11.903   4.140
   33    H    SER   5           HN       SER   5   7.126   7.038   0.724
   34    HA   SER   5           HA       SER   5   4.403   6.674   0.345
   35   1HB   SER   5           HB2      SER   5   5.368   8.995  -1.119
   36   2HB   SER   5           HB1      SER   5   4.688   7.789  -2.207
   37    HG   SER   5           HG       SER   5   3.102   9.226  -1.372
   38    H    VAL   6           HN       VAL   6   4.271   4.680  -0.574
   39    HA   VAL   6           HA       VAL   6   6.642   3.588  -1.929
   40    HB   VAL   6           HB       VAL   6   3.971   2.235  -1.467
   41   1HG1  VAL   6          HG11      VAL   6   6.450   1.469  -2.696
   42   2HG1  VAL   6          HG13      VAL   6   6.226   0.516  -1.228
   43   3HG1  VAL   6          HG12      VAL   6   4.988   0.506  -2.483
   44   1HG2  VAL   6          HG21      VAL   6   5.873   3.180   0.463
   45   2HG2  VAL   6          HG23      VAL   6   4.410   2.237   0.743
   46   3HG2  VAL   6          HG22      VAL   6   5.939   1.418   0.428
   47    H    ASP   7           HN       ASP   7   6.598   2.761  -4.099
   48    HA   ASP   7           HA       ASP   7   4.484   4.029  -5.783
   49   1HB   ASP   7           HB2      ASP   7   6.774   4.781  -6.273
   50   2HB   ASP   7           HB1      ASP   7   7.277   3.109  -6.525
   51    H    CYS   8           HN       CYS   8   3.008   2.650  -6.624
   52    HA   CYS   8           HA       CYS   8   3.694  -0.245  -6.757
   53   1HB   CYS   8           HB2      CYS   8   0.959   1.003  -7.104
   54   2HB   CYS   8           HB1      CYS   8   1.342  -0.677  -6.732
   55    H    SER   9           HN       SER   9   5.007   0.741  -8.760
   56    HA   SER   9           HA       SER   9   3.340   1.203 -11.134
   57   1HB   SER   9           HB2      SER   9   5.252   2.442 -11.402
   58   2HB   SER   9           HB1      SER   9   6.236   1.318 -10.471
   59    HG   SER   9           HG       SER   9   6.545   0.116 -12.220
   60    H    GLU  10           HN       GLU  10   4.303  -1.524  -9.476
   61    HA   GLU  10           HA       GLU  10   4.252  -3.174 -11.976
   62   1HB   GLU  10           HB2      GLU  10   5.580  -4.835 -10.802
   63   2HB   GLU  10           HB1      GLU  10   6.386  -3.274 -10.651
   64   1HG   GLU  10           HG2      GLU  10   4.474  -3.603  -8.514
   65   2HG   GLU  10           HG1      GLU  10   5.580  -4.977  -8.551
   66    H    TYR  11           HN       TYR  11   2.369  -2.188  -9.500
   67    HA   TYR  11           HA       TYR  11   1.172  -4.751  -8.774
   68   1HB   TYR  11           HB2      TYR  11   0.777  -1.869  -8.033
   69   2HB   TYR  11           HB1      TYR  11  -0.467  -3.037  -7.614
   70    HD1  TYR  11           HD1      TYR  11   0.034  -4.912  -6.053
   71    HD2  TYR  11           HD2      TYR  11   2.975  -1.944  -7.039
   72    HE1  TYR  11           HE1      TYR  11   1.443  -5.669  -4.146
   73    HE2  TYR  11           HE2      TYR  11   4.377  -2.695  -5.140
   74    HH   TYR  11           HH       TYR  11   3.464  -4.203  -2.672
   75    HA   PRO  12           HA       PRO  12  -0.826  -4.783  -7.778
   76   1HB   PRO  12           HB2      PRO  12  -3.036  -6.401  -8.025
   77   2HB   PRO  12           HB1      PRO  12  -3.134  -4.664  -7.693
   78   1HG   PRO  12           HG2      PRO  12  -3.848  -6.110 -10.163
   79   2HG   PRO  12           HG1      PRO  12  -4.250  -4.450  -9.691
   80   1HD   PRO  12           HD2      PRO  12  -2.149  -5.352 -11.457
   81   2HD   PRO  12           HD1      PRO  12  -2.631  -3.706 -11.173
   82    H    LYS  13           HN       LYS  13  -0.737  -7.072  -6.872
   83    HA   LYS  13           HA       LYS  13   0.354  -8.978  -8.907
   84   1HB   LYS  13           HB2      LYS  13   1.280  -9.096  -6.068
   85   2HB   LYS  13           HB1      LYS  13   2.137  -9.500  -7.550
   86   1HG   LYS  13           HG2      LYS  13   2.699  -7.284  -8.005
   87   2HG   LYS  13           HG1      LYS  13   1.388  -6.640  -7.018
   88   1HD   LYS  13           HD2      LYS  13   3.465  -6.288  -5.827
   89   2HD   LYS  13           HD1      LYS  13   2.557  -7.544  -4.987
   90   1HE   LYS  13           HE2      LYS  13   4.075  -9.166  -5.502
   91   2HE   LYS  13           HE1      LYS  13   4.362  -8.519  -7.118
   92   1HZ   LYS  13           HZ3      LYS  13   5.467  -6.598  -5.763
   93   2HZ   LYS  13           HZ2      LYS  13   5.626  -7.800  -4.572
   94   3HZ   LYS  13           HZ1      LYS  13   6.327  -8.020  -6.103
   95    HA   PRO  14           HA       PRO  14  -2.717 -11.685  -7.251
   96   1HB   PRO  14           HB2      PRO  14  -1.782 -14.012  -8.378
   97   2HB   PRO  14           HB1      PRO  14  -2.665 -12.769  -9.280
   98   1HG   PRO  14           HG2      PRO  14   0.243 -13.411  -9.326
   99   2HG   PRO  14           HG1      PRO  14  -0.758 -12.660 -10.578
  100   1HD   PRO  14           HD2      PRO  14   1.023 -11.318  -8.867
  101   2HD   PRO  14           HD1      PRO  14  -0.197 -10.559  -9.856
  102    H    ALA  15           HN       ALA  15   0.154 -11.319  -5.970
  103    HA   ALA  15           HA       ALA  15  -0.286 -13.242  -3.824
  104   1HB   ALA  15           HB1      ALA  15   2.215 -13.437  -5.532
  105   2HB   ALA  15           HB3      ALA  15   1.934 -14.312  -4.027
  106   3HB   ALA  15           HB2      ALA  15   0.936 -14.648  -5.441
  107    H    CYS  16           HN       CYS  16  -0.044 -11.843  -2.154
  108    HA   CYS  16           HA       CYS  16   1.744  -9.537  -2.363
  109   1HB   CYS  16           HB2      CYS  16  -0.010 -10.585  -0.131
  110   2HB   CYS  16           HB1      CYS  16   0.988  -9.142   0.025
  111    H    THR  17           HN       THR  17   3.683  -9.249  -1.253
  112    HA   THR  17           HA       THR  17   5.243 -11.574  -0.656
  113    HB   THR  17           HB       THR  17   6.944 -10.048   0.080
  114    HG1  THR  17           HG1      THR  17   6.018  -7.722   0.236
  115   1HG2  THR  17          HG23      THR  17   5.417  -9.558  -2.298
  116   2HG2  THR  17          HG22      THR  17   6.019  -8.020  -1.678
  117   3HG2  THR  17          HG21      THR  17   7.147  -9.328  -2.035
  118    H    LEU  18           HN       LEU  18   6.438 -11.002   1.841
  119    HA   LEU  18           HA       LEU  18   4.108 -11.366   3.654
  120   1HB   LEU  18           HB2      LEU  18   5.886 -12.687   5.061
  121   2HB   LEU  18           HB1      LEU  18   5.098 -13.477   3.700
  122    HG   LEU  18           HG       LEU  18   7.587 -13.798   3.792
  123   1HD1  LEU  18          HD11      LEU  18   5.943 -13.190   1.576
  124   2HD1  LEU  18          HD13      LEU  18   7.516 -12.451   1.277
  125   3HD1  LEU  18          HD12      LEU  18   7.402 -14.179   1.605
  126   1HD2  LEU  18          HD21      LEU  18   7.799 -11.229   4.471
  127   2HD2  LEU  18          HD23      LEU  18   9.093 -12.077   3.632
  128   3HD2  LEU  18          HD22      LEU  18   7.988 -11.049   2.729
  129    H    GLU  19           HN       GLU  19   6.930  -9.541   2.978
  130    HA   GLU  19           HA       GLU  19   7.838  -8.696   5.466
  131   1HB   GLU  19           HB2      GLU  19   7.389  -7.171   2.898
  132   2HB   GLU  19           HB1      GLU  19   8.110  -6.412   4.320
  133   1HG   GLU  19           HG2      GLU  19  10.081  -7.412   3.943
  134   2HG   GLU  19           HG1      GLU  19   9.319  -8.991   3.804
  135    H    TYR  20           HN       TYR  20   6.789  -7.852   7.148
  136    HA   TYR  20           HA       TYR  20   4.024  -6.925   6.769
  137   1HB   TYR  20           HB2      TYR  20   4.548  -8.360   8.672
  138   2HB   TYR  20           HB1      TYR  20   5.624  -7.129   9.326
  139    HD1  TYR  20           HD2      TYR  20   2.234  -7.032   7.722
  140    HD2  TYR  20           HD1      TYR  20   4.622  -6.068  11.160
  141    HE1  TYR  20           HE2      TYR  20   0.279  -5.909   8.759
  142    HE2  TYR  20           HE1      TYR  20   2.670  -4.945  12.199
  143    HH   TYR  20           HH       TYR  20  -0.404  -4.604  10.447
  144    H    ARG  21           HN       ARG  21   3.741  -4.982   6.121
  145    HA   ARG  21           HA       ARG  21   4.991  -2.705   7.548
  146   1HB   ARG  21           HB2      ARG  21   4.891  -2.738   4.521
  147   2HB   ARG  21           HB1      ARG  21   5.749  -1.608   5.566
  148   1HG   ARG  21           HG2      ARG  21   6.837  -4.019   6.323
  149   2HG   ARG  21           HG1      ARG  21   6.576  -4.261   4.597
  150   1HD   ARG  21           HD2      ARG  21   8.743  -3.291   4.769
  151   2HD   ARG  21           HD1      ARG  21   7.685  -1.971   4.269
  152    HE   ARG  21           HE       ARG  21   7.749  -1.946   7.094
  153   1HH1  ARG  21          HH21      ARG  21   9.448  -0.990   4.288
  154   2HH1  ARG  21          HH22      ARG  21  10.696  -0.155   5.152
  155   1HH2  ARG  21          HH11      ARG  21   9.542  -1.113   8.277
  156   2HH2  ARG  21          HH12      ARG  21  10.750  -0.225   7.409
  157    HA   PRO  22           HA       PRO  22   0.490  -2.408   6.869
  158   1HB   PRO  22           HB2      PRO  22   0.046  -1.006   9.187
  159   2HB   PRO  22           HB1      PRO  22   0.041  -2.782   9.075
  160   1HG   PRO  22           HG2      PRO  22   2.178  -0.966  10.143
  161   2HG   PRO  22           HG1      PRO  22   1.759  -2.616  10.639
  162   1HD   PRO  22           HD2      PRO  22   3.937  -1.988   9.026
  163   2HD   PRO  22           HD1      PRO  22   3.144  -3.579   9.053
  164    H    LEU  23           HN       LEU  23   0.383  -0.891   5.216
  165    HA   LEU  23           HA       LEU  23   1.120   1.902   5.917
  166   1HB   LEU  23           HB2      LEU  23   0.286   0.936   3.188
  167   2HB   LEU  23           HB1      LEU  23   1.321   2.301   3.609
  168    HG   LEU  23           HG       LEU  23   2.296  -0.330   4.540
  169   1HD1  LEU  23          HD12      LEU  23   1.689   0.252   1.702
  170   2HD1  LEU  23          HD11      LEU  23   3.272  -0.443   2.048
  171   3HD1  LEU  23          HD13      LEU  23   1.809  -1.297   2.537
  172   1HD2  LEU  23          HD22      LEU  23   3.355   2.214   3.372
  173   2HD2  LEU  23          HD21      LEU  23   3.800   1.404   4.874
  174   3HD2  LEU  23          HD23      LEU  23   4.354   0.761   3.329
  175    H    CYS  24           HN       CYS  24  -0.562   3.144   6.555
  176    HA   CYS  24           HA       CYS  24  -3.275   2.125   6.213
  177   1HB   CYS  24           HB2      CYS  24  -1.994   4.093   7.890
  178   2HB   CYS  24           HB1      CYS  24  -3.421   4.791   7.129
  179    H    GLY  25           HN       GLY  25  -4.928   4.037   5.496
  180   1HA   GLY  25           HA2      GLY  25  -3.880   5.375   3.068
  181   2HA   GLY  25           HA1      GLY  25  -5.046   4.171   2.872
  182    H    SER  26           HN       SER  26  -5.474   6.721   1.990
  183    HA   SER  26           HA       SER  26  -6.841   8.412   3.846
  184   1HB   SER  26           HB2      SER  26  -7.878   8.599   1.123
  185   2HB   SER  26           HB1      SER  26  -6.971   9.789   2.050
  186    HG   SER  26           HG       SER  26  -5.803   9.094   0.228
  187    H    ASP  27           HN       ASP  27  -7.869   5.666   1.878
  188    HA   ASP  27           HA       ASP  27 -10.668   5.910   2.011
  189   1HB   ASP  27           HB2      ASP  27 -10.520   3.289   2.314
  190   2HB   ASP  27           HB1      ASP  27  -9.967   4.027   0.811
  191    H    ASN  28           HN       ASN  28  -8.338   5.287   4.469
  192    HA   ASN  28           HA       ASN  28  -8.709   5.671   6.812
  193   1HB   ASN  28           HB2      ASN  28 -11.094   6.435   6.168
  194   2HB   ASN  28           HB1      ASN  28 -11.568   4.766   6.490
  195   1HD2  ASN  28          HD22      ASN  28 -11.709   6.943   9.637
  196   2HD2  ASN  28          HD21      ASN  28 -12.265   7.238   8.061
  197    H    LYS  29           HN       LYS  29  -7.773   3.328   5.447
  198    HA   LYS  29           HA       LYS  29  -8.549   1.309   7.481
  199   1HB   LYS  29           HB2      LYS  29  -7.899   0.154   4.858
  200   2HB   LYS  29           HB1      LYS  29  -9.189  -0.247   5.980
  201   1HG   LYS  29           HG2      LYS  29 -10.143   2.101   5.178
  202   2HG   LYS  29           HG1      LYS  29  -9.178   1.723   3.750
  203   1HD   LYS  29           HD2      LYS  29 -11.311   0.783   3.297
  204   2HD   LYS  29           HD1      LYS  29 -10.319  -0.585   3.808
  205   1HE   LYS  29           HE2      LYS  29 -11.353  -0.732   5.892
  206   2HE   LYS  29           HE1      LYS  29 -11.869   0.955   5.868
  207   1HZ   LYS  29           HZ2      LYS  29 -12.921  -0.857   3.820
  208   2HZ   LYS  29           HZ1      LYS  29 -13.549  -0.975   5.395
  209   3HZ   LYS  29           HZ3      LYS  29 -13.651   0.493   4.550
  210    H    THR  30           HN       THR  30  -6.892  -0.716   6.764
  211    HA   THR  30           HA       THR  30  -4.168   0.525   6.696
  212    HB   THR  30           HB       THR  30  -5.109  -1.778   8.438
  213    HG1  THR  30           HG1      THR  30  -3.946   0.526   9.450
  214   1HG2  THR  30          HG21      THR  30  -2.765  -2.022   7.580
  215   2HG2  THR  30          HG23      THR  30  -2.377  -0.462   8.307
  216   3HG2  THR  30          HG22      THR  30  -2.846  -1.820   9.329
  217    H    TYR  31           HN       TYR  31  -2.496  -0.958   5.894
  218    HA   TYR  31           HA       TYR  31  -3.561  -3.241   4.319
  219   1HB   TYR  31           HB2      TYR  31  -1.664  -1.089   3.283
  220   2HB   TYR  31           HB1      TYR  31  -2.032  -2.589   2.479
  221    HD1  TYR  31           HD1      TYR  31  -3.552   0.564   3.739
  222    HD2  TYR  31           HD2      TYR  31  -4.072  -2.934   1.286
  223    HE1  TYR  31           HE1      TYR  31  -5.624   1.532   2.784
  224    HE2  TYR  31           HE2      TYR  31  -6.140  -1.957   0.335
  225    HH   TYR  31           HH       TYR  31  -7.538  -0.246   0.349
  226    H    GLY  32           HN       GLY  32  -2.656  -4.896   5.390
  227   1HA   GLY  32           HA2      GLY  32  -0.679  -5.197   7.110
  228   2HA   GLY  32           HA1      GLY  32  -0.832  -6.384   5.841
  229    H    ASN  33           HN       ASN  33   0.220  -5.225   3.617
  230    HA   ASN  33           HA       ASN  33   2.791  -4.014   4.470
  231   1HB   ASN  33           HB2      ASN  33   4.087  -5.556   3.091
  232   2HB   ASN  33           HB1      ASN  33   3.194  -6.425   4.331
  233   1HD2  ASN  33          HD22      ASN  33   2.615  -8.321   1.232
  234   2HD2  ASN  33          HD21      ASN  33   3.904  -8.016   2.290
  235    H    LYS  34           HN       LYS  34   4.105  -3.878   2.153
  236    HA   LYS  34           HA       LYS  34   2.850  -1.730   0.805
  237   1HB   LYS  34           HB2      LYS  34   4.660  -1.958  -0.850
  238   2HB   LYS  34           HB1      LYS  34   5.287  -2.089   0.792
  239   1HG   LYS  34           HG2      LYS  34   5.974  -4.215   0.467
  240   2HG   LYS  34           HG1      LYS  34   4.441  -4.681  -0.276
  241   1HD   LYS  34           HD2      LYS  34   5.195  -3.526  -2.384
  242   2HD   LYS  34           HD1      LYS  34   6.769  -3.280  -1.626
  243   1HE   LYS  34           HE2      LYS  34   7.091  -5.678  -1.397
  244   2HE   LYS  34           HE1      LYS  34   5.462  -5.988  -1.999
  245   1HZ   LYS  34           HZ1      LYS  34   7.440  -4.482  -3.597
  246   2HZ   LYS  34           HZ3      LYS  34   7.381  -6.176  -3.639
  247   3HZ   LYS  34           HZ2      LYS  34   6.029  -5.268  -4.125
  248    H    CYS  35           HN       CYS  35   2.710  -5.189   0.139
  249    HA   CYS  35           HA       CYS  35   1.668  -4.922  -2.487
  250   1HB   CYS  35           HB2      CYS  35   2.411  -7.104  -1.658
  251   2HB   CYS  35           HB1      CYS  35   1.152  -7.079  -0.423
  252    H    ASN  36           HN       ASN  36  -0.249  -5.942   0.331
  253    HA   ASN  36           HA       ASN  36  -2.782  -5.410  -0.551
  254   1HB   ASN  36           HB2      ASN  36  -1.582  -4.865   2.169
  255   2HB   ASN  36           HB1      ASN  36  -3.308  -4.687   1.847
  256   1HD2  ASN  36          HD22      ASN  36  -1.647  -8.433   1.923
  257   2HD2  ASN  36          HD21      ASN  36  -0.647  -7.066   1.832
  258    H    PHE  37           HN       PHE  37  -0.628  -2.885   0.887
  259    HA   PHE  37           HA       PHE  37  -2.460  -0.742   0.665
  260   1HB   PHE  37           HB2      PHE  37  -0.268  -0.574   1.743
  261   2HB   PHE  37           HB1      PHE  37   0.550  -0.563   0.313
  262    HD1  PHE  37           HD1      PHE  37  -2.191   1.287   1.993
  263    HD2  PHE  37           HD2      PHE  37   0.965   1.291  -0.876
  264    HE1  PHE  37           HE1      PHE  37  -2.573   3.723   1.590
  265    HE2  PHE  37           HE2      PHE  37   0.617   3.721  -1.284
  266    HZ   PHE  37           HZ       PHE  37  -1.160   4.930  -0.051
  267    H    CYS  38           HN       CYS  38  -0.150  -1.935  -1.600
  268    HA   CYS  38           HA       CYS  38  -0.652  -0.113  -3.727
  269   1HB   CYS  38           HB2      CYS  38   0.437  -2.922  -3.673
  270   2HB   CYS  38           HB1      CYS  38   0.170  -2.081  -5.194
  271    H    ASN  39           HN       ASN  39  -2.111  -3.347  -3.126
  272    HA   ASN  39           HA       ASN  39  -3.780  -3.584  -5.309
  273   1HB   ASN  39           HB2      ASN  39  -4.652  -4.085  -2.449
  274   2HB   ASN  39           HB1      ASN  39  -5.215  -4.901  -3.899
  275   1HD2  ASN  39          HD22      ASN  39  -2.591  -7.233  -3.916
  276   2HD2  ASN  39          HD21      ASN  39  -4.051  -6.710  -4.590
  277    H    ALA  40           HN       ALA  40  -4.039  -1.366  -2.602
  278    HA   ALA  40           HA       ALA  40  -6.747  -0.500  -3.272
  279   1HB   ALA  40           HB3      ALA  40  -4.606   0.466  -1.376
  280   2HB   ALA  40           HB2      ALA  40  -6.070   1.411  -1.651
  281   3HB   ALA  40           HB1      ALA  40  -6.184  -0.221  -0.991
  282    H    VAL  41           HN       VAL  41  -3.454   0.692  -3.768
  283    HA   VAL  41           HA       VAL  41  -4.202   3.172  -5.035
  284    HB   VAL  41           HB       VAL  41  -1.662   1.536  -5.310
  285   1HG1  VAL  41          HG12      VAL  41  -2.281   3.535  -6.919
  286   2HG1  VAL  41          HG11      VAL  41  -1.821   4.520  -5.530
  287   3HG1  VAL  41          HG13      VAL  41  -0.657   3.404  -6.245
  288   1HG2  VAL  41          HG22      VAL  41  -2.450   2.204  -2.954
  289   2HG2  VAL  41          HG21      VAL  41  -0.824   2.705  -3.419
  290   3HG2  VAL  41          HG23      VAL  41  -2.149   3.869  -3.452
  291    H    VAL  42           HN       VAL  42  -3.919  -0.104  -6.152
  292    HA   VAL  42           HA       VAL  42  -3.881   0.680  -8.991
  293    HB   VAL  42           HB       VAL  42  -3.714  -1.761  -9.382
  294   1HG1  VAL  42          HG13      VAL  42  -1.781  -0.158  -8.376
  295   2HG1  VAL  42          HG12      VAL  42  -1.844  -1.384  -7.109
  296   3HG1  VAL  42          HG11      VAL  42  -1.506  -1.854  -8.775
  297   1HG2  VAL  42          HG22      VAL  42  -4.976  -1.912  -6.895
  298   2HG2  VAL  42          HG21      VAL  42  -4.355  -3.266  -7.841
  299   3HG2  VAL  42          HG23      VAL  42  -3.340  -2.508  -6.617
  300    H    GLU  43           HN       GLU  43  -6.082  -0.445  -6.538
  301    HA   GLU  43           HA       GLU  43  -8.182  -1.015  -8.535
  302   1HB   GLU  43           HB2      GLU  43  -7.648  -2.161  -6.117
  303   2HB   GLU  43           HB1      GLU  43  -8.885  -1.000  -5.661
  304   1HG   GLU  43           HG2      GLU  43  -9.929  -2.031  -7.977
  305   2HG   GLU  43           HG1      GLU  43  -9.113  -3.438  -7.293
  306    H    SER  44           HN       SER  44  -7.024   1.592  -6.643
  307    HA   SER  44           HA       SER  44  -9.660   2.965  -6.808
  308   1HB   SER  44           HB2      SER  44  -8.667   3.110  -4.616
  309   2HB   SER  44           HB1      SER  44  -7.120   3.613  -5.292
  310    HG   SER  44           HG       SER  44  -9.398   5.111  -5.911
  311    H    ASN  45           HN       ASN  45  -7.558   2.465  -9.018
  312    HA   ASN  45           HA       ASN  45  -6.829   3.628 -10.901
  313   1HB   ASN  45           HB2      ASN  45  -8.697   5.685  -9.706
  314   2HB   ASN  45           HB1      ASN  45  -7.807   5.960 -11.197
  315   1HD2  ASN  45          HD22      ASN  45 -10.007   4.027 -13.142
  316   2HD2  ASN  45          HD21      ASN  45  -8.722   5.133 -13.101
  317    H    GLY  46           HN       GLY  46  -5.638   3.861  -8.082
  318   1HA   GLY  46           HA2      GLY  46  -3.650   4.769  -7.253
  319   2HA   GLY  46           HA1      GLY  46  -3.404   5.551  -8.808
  320    H    THR  47           HN       THR  47  -6.419   6.104  -7.268
  321    HA   THR  47           HA       THR  47  -5.687   8.930  -6.840
  322    HB   THR  47           HB       THR  47  -8.063   9.309  -6.572
  323    HG1  THR  47           HG1      THR  47  -9.483   7.593  -6.405
  324   1HG2  THR  47          HG21      THR  47  -6.932   8.420  -8.875
  325   2HG2  THR  47          HG23      THR  47  -8.222   7.235  -8.678
  326   3HG2  THR  47          HG22      THR  47  -8.608   8.953  -8.757
  327    H    LEU  48           HN       LEU  48  -5.767   6.043  -5.062
  328    HA   LEU  48           HA       LEU  48  -6.549   7.185  -2.514
  329   1HB   LEU  48           HB2      LEU  48  -6.985   4.911  -2.567
  330   2HB   LEU  48           HB1      LEU  48  -5.608   4.567  -3.602
  331    HG   LEU  48           HG       LEU  48  -4.719   5.561  -1.035
  332   1HD1  LEU  48          HD11      LEU  48  -7.026   3.855  -1.006
  333   2HD1  LEU  48          HD13      LEU  48  -5.640   3.013  -0.312
  334   3HD1  LEU  48          HD12      LEU  48  -6.151   4.565   0.351
  335   1HD2  LEU  48          HD21      LEU  48  -3.974   3.744  -3.055
  336   2HD2  LEU  48          HD23      LEU  48  -3.060   4.142  -1.600
  337   3HD2  LEU  48          HD22      LEU  48  -4.178   2.777  -1.594
  338    H    THR  49           HN       THR  49  -5.083   7.697  -0.828
  339    HA   THR  49           HA       THR  49  -2.230   7.916  -1.679
  340    HB   THR  49           HB       THR  49  -2.050   9.998  -0.502
  341    HG1  THR  49           HG1      THR  49  -3.800  10.802   0.676
  342   1HG2  THR  49          HG22      THR  49  -3.873   9.556  -2.629
  343   2HG2  THR  49          HG21      THR  49  -4.554  10.807  -1.587
  344   3HG2  THR  49          HG23      THR  49  -2.943  11.013  -2.273
  345    H    LEU  50           HN       LEU  50  -0.744   7.266  -0.218
  346    HA   LEU  50           HA       LEU  50  -1.457   5.465   1.868
  347   1HB   LEU  50           HB2      LEU  50   0.711   5.205   0.995
  348   2HB   LEU  50           HB1      LEU  50   1.031   6.934   0.999
  349    HG   LEU  50           HG       LEU  50   0.913   6.744   3.582
  350   1HD1  LEU  50          HD13      LEU  50   1.024   3.879   2.673
  351   2HD1  LEU  50          HD12      LEU  50   1.743   4.363   4.209
  352   3HD1  LEU  50          HD11      LEU  50   0.017   4.598   3.930
  353   1HD2  LEU  50          HD22      LEU  50   3.127   5.434   1.982
  354   2HD2  LEU  50          HD21      LEU  50   2.967   7.159   2.311
  355   3HD2  LEU  50          HD23      LEU  50   3.287   6.037   3.632
  356    H    SER  51           HN       SER  51  -2.065   5.991   3.986
  357    HA   SER  51           HA       SER  51  -2.302   8.808   4.716
  358   1HB   SER  51           HB2      SER  51  -3.879   7.006   5.292
  359   2HB   SER  51           HB1      SER  51  -2.896   6.385   6.507
  360    HG   SER  51           HG       SER  51  -3.707   7.907   7.704
  361    H    HIS  52           HN       HIS  52  -0.118   6.270   5.173
  362    HA   HIS  52           HA       HIS  52   2.116   7.601   5.933
  363   1HB   HIS  52           HB2      HIS  52   2.094   7.505   8.488
  364   2HB   HIS  52           HB1      HIS  52   1.122   8.781   7.758
  365    HD1  HIS  52           HD1      HIS  52   0.821   5.401   9.401
  366    HD2  HIS  52           HD2      HIS  52  -1.670   8.517   8.159
  367    HE1  HIS  52           HE1      HIS  52  -1.471   4.880  10.330
  368    H    PHE  53           HN       PHE  53   3.721   6.212   7.182
  369    HA   PHE  53           HA       PHE  53   3.290   3.416   6.519
  370   1HB   PHE  53           HB2      PHE  53   5.513   4.851   8.000
  371   2HB   PHE  53           HB1      PHE  53   5.535   3.126   7.634
  372    HD1  PHE  53           HD2      PHE  53   5.633   6.523   6.207
  373    HD2  PHE  53           HD1      PHE  53   5.798   2.316   5.348
  374    HE1  PHE  53           HE2      PHE  53   6.439   7.019   3.919
  375    HE2  PHE  53           HE1      PHE  53   6.608   2.816   3.059
  376    HZ   PHE  53           HZ       PHE  53   6.930   5.168   2.345
  377    H    GLY  54           HN       GLY  54   3.054   1.706   8.021
  378   1HA   GLY  54           HA2      GLY  54   2.777   0.800  10.249
  379   2HA   GLY  54           HA1      GLY  54   2.603   2.418  10.852
  380    H    LYS  55           HN       LYS  55   0.676   0.983  11.821
  381    HA   LYS  55           HA       LYS  55  -1.655   0.874  10.042
  382   1HB   LYS  55           HB2      LYS  55  -1.955   0.631  13.003
  383   2HB   LYS  55           HB1      LYS  55  -2.683  -0.335  11.718
  384   1HG   LYS  55           HG2      LYS  55  -0.281  -1.200  11.282
  385   2HG   LYS  55           HG1      LYS  55   0.095  -0.545  12.876
  386   1HD   LYS  55           HD2      LYS  55  -2.182  -2.474  12.354
  387   2HD   LYS  55           HD1      LYS  55  -0.578  -2.978  12.888
  388   1HE   LYS  55           HE2      LYS  55  -0.883  -2.175  15.006
  389   2HE   LYS  55           HE1      LYS  55  -1.830  -0.791  14.455
  390   1HZ   LYS  55           HZ1      LYS  55  -3.291  -3.081  13.867
  391   2HZ   LYS  55           HZ3      LYS  55  -2.741  -3.257  15.462
  392   3HZ   LYS  55           HZ2      LYS  55  -3.647  -1.889  15.024
  393    H    CYS  56           HN       CYS  56  -3.716   1.995  10.854
  394    HA   CYS  56           HA       CYS  56  -3.231   4.822  10.997
  395   1HB   CYS  56           HB2      CYS  56  -5.689   3.102  11.291
  396   2HB   CYS  56           HB1      CYS  56  -5.763   4.846  11.554
   
  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   9.168  14.409   3.091
    2   2H    LEU   1           HT3      LEU   1   7.608  13.763   2.929
    3   3H    LEU   1           HT2      LEU   1   7.815  15.334   3.543
    4    HA   LEU   1           HA       LEU   1   8.744  14.562   5.544
    5   1HB   LEU   1           HB2      LEU   1   6.162  13.872   4.697
    6   2HB   LEU   1           HB1      LEU   1   6.787  12.410   5.462
    7    HG   LEU   1           HG       LEU   1   7.626  14.395   7.188
    8   1HD1  LEU   1          HD12      LEU   1   5.407  15.405   5.623
    9   2HD1  LEU   1          HD11      LEU   1   4.950  15.262   7.320
   10   3HD1  LEU   1          HD13      LEU   1   6.354  16.226   6.863
   11   1HD2  LEU   1          HD22      LEU   1   6.294  12.088   7.400
   12   2HD2  LEU   1          HD21      LEU   1   6.296  13.269   8.710
   13   3HD2  LEU   1          HD23      LEU   1   4.924  13.181   7.605
   14    H    ALA   2           HN       ALA   2  10.844  13.623   4.872
   15    HA   ALA   2           HA       ALA   2  12.387  11.857   4.788
   16   1HB   ALA   2           HB3      ALA   2  10.263  11.050   6.651
   17   2HB   ALA   2           HB2      ALA   2  11.131   9.688   5.946
   18   3HB   ALA   2           HB1      ALA   2  12.014  10.934   6.826
   19    H    ALA   3           HN       ALA   3  10.242  12.148   2.656
   20    HA   ALA   3           HA       ALA   3   9.571  10.975   0.735
   21   1HB   ALA   3           HB3      ALA   3  12.220  10.201   1.342
   22   2HB   ALA   3           HB2      ALA   3  11.359   8.711   0.956
   23   3HB   ALA   3           HB1      ALA   3  11.391  10.037  -0.207
   24    H    VAL   4           HN       VAL   4   7.538  10.329   1.659
   25    HA   VAL   4           HA       VAL   4   7.495   7.501   2.639
   26    HB   VAL   4           HB       VAL   4   5.241   8.240   3.653
   27   1HG1  VAL   4          HG13      VAL   4   7.822   8.215   4.638
   28   2HG1  VAL   4          HG12      VAL   4   7.271   9.838   5.053
   29   3HG1  VAL   4          HG11      VAL   4   6.367   8.429   5.613
   30   1HG2  VAL   4          HG23      VAL   4   5.374  10.412   2.221
   31   2HG2  VAL   4          HG22      VAL   4   4.802  10.544   3.885
   32   3HG2  VAL   4          HG21      VAL   4   6.460  10.992   3.484
   33    H    SER   5           HN       SER   5   7.413   6.953   0.283
   34    HA   SER   5           HA       SER   5   4.592   6.894  -0.619
   35   1HB   SER   5           HB2      SER   5   6.854   7.829  -2.412
   36   2HB   SER   5           HB1      SER   5   5.167   7.631  -2.880
   37    HG   SER   5           HG       SER   5   5.880   9.815  -2.261
   38    H    VAL   6           HN       VAL   6   4.328   5.291  -2.432
   39    HA   VAL   6           HA       VAL   6   6.542   3.302  -2.547
   40    HB   VAL   6           HB       VAL   6   3.650   2.517  -2.127
   41   1HG1  VAL   6          HG13      VAL   6   6.300   1.050  -2.063
   42   2HG1  VAL   6          HG12      VAL   6   4.797   0.353  -1.460
   43   3HG1  VAL   6          HG11      VAL   6   4.949   0.777  -3.165
   44   1HG2  VAL   6          HG21      VAL   6   5.641   3.479  -0.220
   45   2HG2  VAL   6          HG23      VAL   6   3.927   3.150   0.028
   46   3HG2  VAL   6          HG22      VAL   6   5.103   1.842   0.160
   47    H    ASP   7           HN       ASP   7   6.549   2.058  -4.492
   48    HA   ASP   7           HA       ASP   7   5.169   3.357  -6.738
   49   1HB   ASP   7           HB2      ASP   7   7.598   2.448  -6.717
   50   2HB   ASP   7           HB1      ASP   7   6.854   0.862  -6.923
   51    H    CYS   8           HN       CYS   8   3.129   2.730  -7.272
   52    HA   CYS   8           HA       CYS   8   2.437  -0.161  -6.951
   53   1HB   CYS   8           HB2      CYS   8   0.436   2.072  -6.615
   54   2HB   CYS   8           HB1      CYS   8   0.305   0.393  -6.096
   55    H    SER   9           HN       SER   9   3.413   1.128  -9.351
   56    HA   SER   9           HA       SER   9   1.013   1.537 -11.025
   57   1HB   SER   9           HB2      SER   9   3.915   2.053 -11.285
   58   2HB   SER   9           HB1      SER   9   3.100   1.581 -12.773
   59    HG   SER   9           HG       SER   9   1.542   3.239 -12.272
   60    H    GLU  10           HN       GLU  10   2.401  -1.134  -9.837
   61    HA   GLU  10           HA       GLU  10   1.863  -2.674 -12.343
   62   1HB   GLU  10           HB2      GLU  10   4.086  -3.067 -10.327
   63   2HB   GLU  10           HB1      GLU  10   3.633  -4.294 -11.510
   64   1HG   GLU  10           HG2      GLU  10   5.458  -3.001 -12.439
   65   2HG   GLU  10           HG1      GLU  10   3.988  -2.580 -13.319
   66    H    TYR  11           HN       TYR  11   0.010  -2.108 -10.196
   67    HA   TYR  11           HA       TYR  11  -0.238  -4.755  -8.887
   68   1HB   TYR  11           HB2      TYR  11  -1.093  -1.961  -8.176
   69   2HB   TYR  11           HB1      TYR  11  -1.963  -3.328  -7.489
   70    HD1  TYR  11           HD2      TYR  11   1.481  -1.985  -8.001
   71    HD2  TYR  11           HD1      TYR  11  -1.071  -4.487  -5.619
   72    HE1  TYR  11           HE2      TYR  11   3.331  -2.332  -6.389
   73    HE2  TYR  11           HE1      TYR  11   0.784  -4.841  -4.003
   74    HH   TYR  11           HH       TYR  11   3.870  -3.122  -4.359
   75    HA   PRO  12           HA       PRO  12  -2.201  -5.096  -7.507
   76   1HB   PRO  12           HB2      PRO  12  -3.634  -7.437  -7.532
   77   2HB   PRO  12           HB1      PRO  12  -4.372  -5.846  -7.276
   78   1HG   PRO  12           HG2      PRO  12  -4.429  -7.570  -9.716
   79   2HG   PRO  12           HG1      PRO  12  -5.615  -6.379  -9.154
   80   1HD   PRO  12           HD2      PRO  12  -3.697  -5.948 -11.177
   81   2HD   PRO  12           HD1      PRO  12  -4.652  -4.719 -10.388
   82    H    LYS  13           HN       LYS  13  -1.574  -7.414  -6.574
   83    HA   LYS  13           HA       LYS  13   0.301  -8.732  -8.492
   84   1HB   LYS  13           HB2      LYS  13   0.939  -8.604  -5.574
   85   2HB   LYS  13           HB1      LYS  13   2.016  -8.721  -6.962
   86   1HG   LYS  13           HG2      LYS  13   0.547  -6.255  -7.126
   87   2HG   LYS  13           HG1      LYS  13   1.309  -6.391  -5.546
   88   1HD   LYS  13           HD2      LYS  13   2.761  -6.865  -8.159
   89   2HD   LYS  13           HD1      LYS  13   2.776  -5.330  -7.292
   90   1HE   LYS  13           HE2      LYS  13   3.671  -6.540  -5.283
   91   2HE   LYS  13           HE1      LYS  13   3.793  -7.997  -6.271
   92   1HZ   LYS  13           HZ2      LYS  13   5.031  -5.466  -7.152
   93   2HZ   LYS  13           HZ1      LYS  13   5.836  -6.487  -6.058
   94   3HZ   LYS  13           HZ3      LYS  13   5.421  -7.058  -7.600
   95    HA   PRO  14           HA       PRO  14  -1.825 -12.370  -7.201
   96   1HB   PRO  14           HB2      PRO  14   0.028 -14.241  -7.984
   97   2HB   PRO  14           HB1      PRO  14  -1.031 -13.373  -9.109
   98   1HG   PRO  14           HG2      PRO  14   1.876 -12.976  -8.577
   99   2HG   PRO  14           HG1      PRO  14   0.949 -12.639 -10.049
  100   1HD   PRO  14           HD2      PRO  14   1.792 -10.732  -8.185
  101   2HD   PRO  14           HD1      PRO  14   0.585 -10.472  -9.403
  102    H    ALA  15           HN       ALA  15   0.468 -11.078  -5.405
  103    HA   ALA  15           HA       ALA  15   0.131 -12.539  -3.088
  104   1HB   ALA  15           HB1      ALA  15   1.961 -13.894  -4.978
  105   2HB   ALA  15           HB3      ALA  15   2.558 -13.753  -3.325
  106   3HB   ALA  15           HB2      ALA  15   1.024 -14.563  -3.641
  107    H    CYS  16           HN       CYS  16   1.900 -12.130  -1.454
  108    HA   CYS  16           HA       CYS  16   3.766  -9.962  -2.269
  109   1HB   CYS  16           HB2      CYS  16   1.668  -8.924  -1.339
  110   2HB   CYS  16           HB1      CYS  16   1.980  -9.777   0.174
  111    H    THR  17           HN       THR  17   5.484  -9.623  -0.647
  112    HA   THR  17           HA       THR  17   6.603 -12.049   0.330
  113    HB   THR  17           HB       THR  17   7.854 -10.251   1.886
  114    HG1  THR  17           HG1      THR  17   7.610  -8.413   0.021
  115   1HG2  THR  17          HG23      THR  17   8.160 -11.243  -0.825
  116   2HG2  THR  17          HG22      THR  17   8.860  -9.633  -0.654
  117   3HG2  THR  17          HG21      THR  17   9.395 -10.944   0.397
  118    H    LEU  18           HN       LEU  18   7.279 -11.625   3.015
  119    HA   LEU  18           HA       LEU  18   4.579 -11.711   4.291
  120   1HB   LEU  18           HB2      LEU  18   5.463 -13.306   5.888
  121   2HB   LEU  18           HB1      LEU  18   5.870 -13.884   4.272
  122    HG   LEU  18           HG       LEU  18   8.039 -12.332   4.792
  123   1HD1  LEU  18          HD12      LEU  18   6.716 -12.649   7.303
  124   2HD1  LEU  18          HD11      LEU  18   8.193 -13.614   7.345
  125   3HD1  LEU  18          HD13      LEU  18   8.276 -11.890   6.984
  126   1HD2  LEU  18          HD23      LEU  18   7.997 -14.698   4.018
  127   2HD2  LEU  18          HD22      LEU  18   9.210 -14.436   5.271
  128   3HD2  LEU  18          HD21      LEU  18   7.679 -15.215   5.674
  129    H    GLU  19           HN       GLU  19   7.775 -10.307   4.375
  130    HA   GLU  19           HA       GLU  19   8.044  -9.356   6.955
  131   1HB   GLU  19           HB2      GLU  19   9.184  -7.397   6.025
  132   2HB   GLU  19           HB1      GLU  19   9.625  -8.833   5.103
  133   1HG   GLU  19           HG2      GLU  19   7.271  -7.738   3.916
  134   2HG   GLU  19           HG1      GLU  19   8.416  -6.423   4.158
  135    H    TYR  20           HN       TYR  20   6.557  -8.450   8.226
  136    HA   TYR  20           HA       TYR  20   4.167  -7.246   7.093
  137   1HB   TYR  20           HB2      TYR  20   4.192  -8.610   9.194
  138   2HB   TYR  20           HB1      TYR  20   4.981  -7.257  10.001
  139    HD1  TYR  20           HD2      TYR  20   2.269  -7.341   7.401
  140    HD2  TYR  20           HD1      TYR  20   3.385  -6.275  11.418
  141    HE1  TYR  20           HE2      TYR  20   0.069  -6.256   7.726
  142    HE2  TYR  20           HE1      TYR  20   1.178  -5.191  11.737
  143    HH   TYR  20           HH       TYR  20  -0.758  -4.656  10.807
  144    H    ARG  21           HN       ARG  21   3.732  -5.241   6.771
  145    HA   ARG  21           HA       ARG  21   4.935  -3.006   8.204
  146   1HB   ARG  21           HB2      ARG  21   5.503  -2.112   5.680
  147   2HB   ARG  21           HB1      ARG  21   6.707  -2.821   6.754
  148   1HG   ARG  21           HG2      ARG  21   6.244  -5.056   5.772
  149   2HG   ARG  21           HG1      ARG  21   5.090  -4.311   4.666
  150   1HD   ARG  21           HD2      ARG  21   7.628  -4.716   3.949
  151   2HD   ARG  21           HD1      ARG  21   6.736  -3.296   3.404
  152    HE   ARG  21           HE       ARG  21   8.240  -1.998   4.656
  153   1HH1  ARG  21          HH21      ARG  21   9.372  -5.056   4.989
  154   2HH1  ARG  21          HH22      ARG  21   9.984  -4.883   6.600
  155   1HH2  ARG  21          HH11      ARG  21   8.458  -1.817   7.132
  156   2HH2  ARG  21          HH12      ARG  21   9.467  -3.049   7.814
  157    HA   PRO  22           HA       PRO  22   0.601  -2.790   6.668
  158   1HB   PRO  22           HB2      PRO  22  -0.286  -1.519   8.971
  159   2HB   PRO  22           HB1      PRO  22  -0.268  -3.287   8.726
  160   1HG   PRO  22           HG2      PRO  22   1.621  -1.561  10.289
  161   2HG   PRO  22           HG1      PRO  22   1.123  -3.237  10.588
  162   1HD   PRO  22           HD2      PRO  22   3.564  -2.540   9.478
  163   2HD   PRO  22           HD1      PRO  22   2.769  -4.107   9.214
  164    H    LEU  23           HN       LEU  23   0.264  -1.116   5.205
  165    HA   LEU  23           HA       LEU  23   1.103   1.598   6.134
  166   1HB   LEU  23           HB2      LEU  23   0.373   0.797   3.318
  167   2HB   LEU  23           HB1      LEU  23   1.310   2.196   3.851
  168    HG   LEU  23           HG       LEU  23   2.562  -0.120   4.916
  169   1HD1  LEU  23          HD12      LEU  23   1.337  -1.332   3.117
  170   2HD1  LEU  23          HD11      LEU  23   2.095  -0.272   1.928
  171   3HD1  LEU  23          HD13      LEU  23   3.087  -1.367   2.892
  172   1HD2  LEU  23          HD22      LEU  23   3.189   2.294   3.678
  173   2HD2  LEU  23          HD21      LEU  23   4.340   1.100   4.278
  174   3HD2  LEU  23          HD23      LEU  23   3.837   1.068   2.588
  175    H    CYS  24           HN       CYS  24  -0.475   3.086   6.507
  176    HA   CYS  24           HA       CYS  24  -3.269   2.221   6.241
  177   1HB   CYS  24           HB2      CYS  24  -2.661   3.564   8.205
  178   2HB   CYS  24           HB1      CYS  24  -2.094   4.870   7.169
  179    H    GLY  25           HN       GLY  25  -4.842   3.652   4.988
  180   1HA   GLY  25           HA2      GLY  25  -3.522   5.061   2.737
  181   2HA   GLY  25           HA1      GLY  25  -4.563   3.763   2.396
  182    H    SER  26           HN       SER  26  -5.076   6.245   1.358
  183    HA   SER  26           HA       SER  26  -6.635   8.013   2.888
  184   1HB   SER  26           HB2      SER  26  -6.146   8.868   0.794
  185   2HB   SER  26           HB1      SER  26  -6.470   7.342  -0.023
  186    HG   SER  26           HG       SER  26  -8.276   9.280   0.954
  187    H    ASP  27           HN       ASP  27  -7.408   4.791   2.009
  188    HA   ASP  27           HA       ASP  27 -10.300   5.121   1.923
  189   1HB   ASP  27           HB2      ASP  27 -10.206   2.567   2.351
  190   2HB   ASP  27           HB1      ASP  27  -9.521   3.167   0.841
  191    H    ASN  28           HN       ASN  28  -8.270   5.718   4.366
  192    HA   ASN  28           HA       ASN  28  -8.517   5.905   6.663
  193   1HB   ASN  28           HB2      ASN  28 -11.369   5.347   5.833
  194   2HB   ASN  28           HB1      ASN  28 -10.907   5.608   7.511
  195   1HD2  ASN  28          HD22      ASN  28 -11.596   8.824   5.355
  196   2HD2  ASN  28          HD21      ASN  28 -12.258   7.284   5.089
  197    H    LYS  29           HN       LYS  29  -7.784   3.346   5.413
  198    HA   LYS  29           HA       LYS  29  -8.507   1.603   7.707
  199   1HB   LYS  29           HB2      LYS  29  -8.121   0.154   5.175
  200   2HB   LYS  29           HB1      LYS  29  -9.341  -0.056   6.421
  201   1HG   LYS  29           HG2      LYS  29 -10.248   2.237   5.457
  202   2HG   LYS  29           HG1      LYS  29  -9.389   1.700   4.014
  203   1HD   LYS  29           HD2      LYS  29 -11.247  -0.166   5.473
  204   2HD   LYS  29           HD1      LYS  29 -11.875   0.986   4.293
  205   1HE   LYS  29           HE2      LYS  29  -9.574  -0.268   3.157
  206   2HE   LYS  29           HE1      LYS  29 -10.618  -1.534   3.804
  207   1HZ   LYS  29           HZ1      LYS  29 -12.482  -0.504   2.613
  208   2HZ   LYS  29           HZ3      LYS  29 -11.419   0.627   1.931
  209   3HZ   LYS  29           HZ2      LYS  29 -11.255  -1.024   1.560
  210    H    THR  30           HN       THR  30  -7.027  -0.585   7.048
  211    HA   THR  30           HA       THR  30  -4.252   0.510   6.789
  212    HB   THR  30           HB       THR  30  -5.323  -1.711   8.554
  213    HG1  THR  30           HG1      THR  30  -5.444   0.367   9.404
  214   1HG2  THR  30          HG22      THR  30  -2.465  -0.990   7.849
  215   2HG2  THR  30          HG21      THR  30  -2.901  -1.954   9.260
  216   3HG2  THR  30          HG23      THR  30  -3.259  -2.550   7.640
  217    H    TYR  31           HN       TYR  31  -2.694  -1.115   5.934
  218    HA   TYR  31           HA       TYR  31  -3.991  -3.182   4.230
  219   1HB   TYR  31           HB2      TYR  31  -2.110  -0.972   3.396
  220   2HB   TYR  31           HB1      TYR  31  -2.004  -2.528   2.621
  221    HD1  TYR  31           HD2      TYR  31  -4.359  -3.598   1.930
  222    HD2  TYR  31           HD1      TYR  31  -3.624   0.591   2.543
  223    HE1  TYR  31           HE2      TYR  31  -6.349  -3.052   0.562
  224    HE2  TYR  31           HE1      TYR  31  -5.619   1.137   1.173
  225    HH   TYR  31           HH       TYR  31  -7.468  -1.408  -0.475
  226    H    GLY  32           HN       GLY  32  -3.078  -5.150   4.605
  227   1HA   GLY  32           HA2      GLY  32  -1.409  -5.831   6.607
  228   2HA   GLY  32           HA1      GLY  32  -1.342  -6.722   5.102
  229    H    ASN  33           HN       ASN  33  -0.114  -5.056   3.346
  230    HA   ASN  33           HA       ASN  33   2.156  -3.775   4.631
  231   1HB   ASN  33           HB2      ASN  33   3.888  -5.231   3.604
  232   2HB   ASN  33           HB1      ASN  33   2.914  -6.061   4.804
  233   1HD2  ASN  33          HD22      ASN  33   2.900  -8.513   2.172
  234   2HD2  ASN  33          HD21      ASN  33   3.812  -7.985   3.500
  235    H    LYS  34           HN       LYS  34   3.939  -3.759   2.511
  236    HA   LYS  34           HA       LYS  34   3.069  -1.594   1.009
  237   1HB   LYS  34           HB2      LYS  34   4.884  -2.476  -0.682
  238   2HB   LYS  34           HB1      LYS  34   5.363  -1.935   0.925
  239   1HG   LYS  34           HG2      LYS  34   5.949  -4.023   1.592
  240   2HG   LYS  34           HG1      LYS  34   4.550  -4.765   0.814
  241   1HD   LYS  34           HD2      LYS  34   7.121  -3.895  -0.537
  242   2HD   LYS  34           HD1      LYS  34   6.566  -5.551  -0.294
  243   1HE   LYS  34           HE2      LYS  34   5.624  -5.376  -2.343
  244   2HE   LYS  34           HE1      LYS  34   4.415  -4.353  -1.567
  245   1HZ   LYS  34           HZ3      LYS  34   6.838  -2.956  -2.198
  246   2HZ   LYS  34           HZ2      LYS  34   6.075  -3.597  -3.574
  247   3HZ   LYS  34           HZ1      LYS  34   5.230  -2.543  -2.543
  248    H    CYS  35           HN       CYS  35   2.952  -5.021  -0.112
  249    HA   CYS  35           HA       CYS  35   1.918  -4.346  -2.653
  250   1HB   CYS  35           HB2      CYS  35   1.242  -6.897  -1.204
  251   2HB   CYS  35           HB1      CYS  35   1.487  -6.643  -2.924
  252    H    ASN  36           HN       ASN  36   0.165  -5.541   0.244
  253    HA   ASN  36           HA       ASN  36  -2.432  -5.293  -0.822
  254   1HB   ASN  36           HB2      ASN  36  -1.408  -5.009   2.005
  255   2HB   ASN  36           HB1      ASN  36  -3.125  -4.944   1.614
  256   1HD2  ASN  36          HD22      ASN  36  -1.119  -8.502   1.295
  257   2HD2  ASN  36          HD21      ASN  36  -0.259  -7.049   1.455
  258    H    PHE  37           HN       PHE  37  -0.261  -2.785   0.350
  259    HA   PHE  37           HA       PHE  37  -2.314  -0.734   0.577
  260   1HB   PHE  37           HB2      PHE  37  -0.204  -0.428   1.709
  261   2HB   PHE  37           HB1      PHE  37   0.699  -0.504   0.349
  262    HD1  PHE  37           HD1      PHE  37  -2.335   1.334   1.378
  263    HD2  PHE  37           HD2      PHE  37   1.483   1.431  -0.511
  264    HE1  PHE  37           HE1      PHE  37  -2.667   3.753   0.858
  265    HE2  PHE  37           HE2      PHE  37   1.185   3.842  -1.040
  266    HZ   PHE  37           HZ       PHE  37  -0.903   5.000  -0.362
  267    H    CYS  38           HN       CYS  38   0.157  -1.463  -1.717
  268    HA   CYS  38           HA       CYS  38  -0.423   0.490  -3.682
  269   1HB   CYS  38           HB2      CYS  38   0.991  -2.162  -3.723
  270   2HB   CYS  38           HB1      CYS  38   0.704  -1.298  -5.234
  271    H    ASN  39           HN       ASN  39  -1.937  -2.586  -2.963
  272    HA   ASN  39           HA       ASN  39  -3.258  -2.936  -5.483
  273   1HB   ASN  39           HB2      ASN  39  -3.623  -3.935  -2.685
  274   2HB   ASN  39           HB1      ASN  39  -4.956  -4.125  -3.812
  275   1HD2  ASN  39          HD22      ASN  39  -2.073  -6.777  -4.014
  276   2HD2  ASN  39          HD21      ASN  39  -2.464  -5.855  -2.649
  277    H    ALA  40           HN       ALA  40  -3.904  -1.089  -2.575
  278    HA   ALA  40           HA       ALA  40  -6.585  -0.265  -3.251
  279   1HB   ALA  40           HB2      ALA  40  -4.945  -0.020  -1.044
  280   2HB   ALA  40           HB1      ALA  40  -4.944   1.622  -1.686
  281   3HB   ALA  40           HB3      ALA  40  -6.467   0.845  -1.257
  282    H    VAL  41           HN       VAL  41  -3.354   1.048  -3.809
  283    HA   VAL  41           HA       VAL  41  -4.173   3.547  -4.955
  284    HB   VAL  41           HB       VAL  41  -1.681   1.876  -5.420
  285   1HG1  VAL  41          HG13      VAL  41  -2.368   4.739  -6.125
  286   2HG1  VAL  41          HG12      VAL  41  -0.703   4.168  -5.995
  287   3HG1  VAL  41          HG11      VAL  41  -1.784   3.466  -7.198
  288   1HG2  VAL  41          HG21      VAL  41  -2.537   2.946  -3.077
  289   2HG2  VAL  41          HG23      VAL  41  -0.834   2.779  -3.501
  290   3HG2  VAL  41          HG22      VAL  41  -1.655   4.320  -3.744
  291    H    VAL  42           HN       VAL  42  -2.905   0.652  -6.647
  292    HA   VAL  42           HA       VAL  42  -3.583   1.482  -9.247
  293    HB   VAL  42           HB       VAL  42  -2.018  -0.357  -8.689
  294   1HG1  VAL  42          HG12      VAL  42  -4.517  -1.476  -7.538
  295   2HG1  VAL  42          HG11      VAL  42  -3.467  -2.615  -8.380
  296   3HG1  VAL  42          HG13      VAL  42  -2.845  -1.684  -7.018
  297   1HG2  VAL  42          HG23      VAL  42  -4.175  -0.475 -10.655
  298   2HG2  VAL  42          HG22      VAL  42  -2.448  -0.775 -10.860
  299   3HG2  VAL  42          HG21      VAL  42  -3.505  -2.063 -10.279
  300    H    GLU  43           HN       GLU  43  -5.656   0.263  -6.714
  301    HA   GLU  43           HA       GLU  43  -7.746  -0.466  -8.678
  302   1HB   GLU  43           HB2      GLU  43  -7.186  -1.484  -6.203
  303   2HB   GLU  43           HB1      GLU  43  -8.459  -0.344  -5.810
  304   1HG   GLU  43           HG2      GLU  43  -8.833  -2.110  -8.186
  305   2HG   GLU  43           HG1      GLU  43  -9.027  -2.818  -6.583
  306    H    SER  44           HN       SER  44  -6.700   2.146  -6.678
  307    HA   SER  44           HA       SER  44  -9.295   3.553  -7.026
  308   1HB   SER  44           HB2      SER  44  -7.745   3.466  -4.845
  309   2HB   SER  44           HB1      SER  44  -6.966   4.824  -5.653
  310    HG   SER  44           HG       SER  44  -9.713   4.545  -4.984
  311    H    ASN  45           HN       ASN  45  -7.383   3.010  -9.261
  312    HA   ASN  45           HA       ASN  45  -6.242   4.146 -10.966
  313   1HB   ASN  45           HB2      ASN  45  -7.398   6.267 -11.669
  314   2HB   ASN  45           HB1      ASN  45  -8.463   4.883 -11.611
  315   1HD2  ASN  45          HD22      ASN  45  -9.220   8.086  -9.285
  316   2HD2  ASN  45          HD21      ASN  45  -8.003   8.087 -10.468
  317    H    GLY  46           HN       GLY  46  -4.769   4.316  -8.802
  318   1HA   GLY  46           HA2      GLY  46  -3.360   5.629  -7.467
  319   2HA   GLY  46           HA1      GLY  46  -2.991   6.383  -9.002
  320    H    THR  47           HN       THR  47  -5.884   6.407  -6.961
  321    HA   THR  47           HA       THR  47  -5.741   9.393  -6.906
  322    HB   THR  47           HB       THR  47  -7.772   8.238  -8.009
  323    HG1  THR  47           HG1      THR  47  -8.870   9.947  -7.434
  324   1HG2  THR  47          HG22      THR  47  -7.741   6.681  -5.780
  325   2HG2  THR  47          HG21      THR  47  -8.939   7.887  -5.312
  326   3HG2  THR  47          HG23      THR  47  -9.177   6.932  -6.774
  327    H    LEU  48           HN       LEU  48  -5.805   6.439  -5.079
  328    HA   LEU  48           HA       LEU  48  -6.439   7.682  -2.539
  329   1HB   LEU  48           HB2      LEU  48  -7.020   5.414  -2.598
  330   2HB   LEU  48           HB1      LEU  48  -5.621   4.985  -3.573
  331    HG   LEU  48           HG       LEU  48  -4.923   6.080  -0.961
  332   1HD1  LEU  48          HD13      LEU  48  -6.926   3.958  -1.200
  333   2HD1  LEU  48          HD12      LEU  48  -5.541   3.525  -0.197
  334   3HD1  LEU  48          HD11      LEU  48  -6.501   4.953   0.192
  335   1HD2  LEU  48          HD23      LEU  48  -3.339   5.020  -2.536
  336   2HD2  LEU  48          HD22      LEU  48  -3.399   4.139  -1.009
  337   3HD2  LEU  48          HD21      LEU  48  -4.248   3.513  -2.423
  338    H    THR  49           HN       THR  49  -4.827   8.050  -0.886
  339    HA   THR  49           HA       THR  49  -2.027   8.066  -1.920
  340    HB   THR  49           HB       THR  49  -1.703  10.132  -0.507
  341    HG1  THR  49           HG1      THR  49  -3.450   9.993   0.847
  342   1HG2  THR  49          HG23      THR  49  -3.581  10.020  -2.855
  343   2HG2  THR  49          HG22      THR  49  -3.160  11.566  -2.119
  344   3HG2  THR  49          HG21      THR  49  -1.899  10.545  -2.810
  345    H    LEU  50           HN       LEU  50  -0.502   7.259  -0.546
  346    HA   LEU  50           HA       LEU  50  -1.196   5.508   1.537
  347   1HB   LEU  50           HB2      LEU  50   0.964   5.343   0.539
  348   2HB   LEU  50           HB1      LEU  50   1.325   7.036   0.852
  349    HG   LEU  50           HG       LEU  50   1.094   6.402   3.356
  350   1HD1  LEU  50          HD12      LEU  50   0.777   3.829   1.991
  351   2HD1  LEU  50          HD11      LEU  50   2.074   3.810   3.187
  352   3HD1  LEU  50          HD13      LEU  50   0.436   4.255   3.668
  353   1HD2  LEU  50          HD22      LEU  50   3.178   6.938   1.999
  354   2HD2  LEU  50          HD21      LEU  50   3.437   5.913   3.412
  355   3HD2  LEU  50          HD23      LEU  50   3.389   5.198   1.801
  356    H    SER  51           HN       SER  51  -1.957   6.000   3.567
  357    HA   SER  51           HA       SER  51  -2.096   8.764   4.457
  358   1HB   SER  51           HB2      SER  51  -3.773   7.019   4.811
  359   2HB   SER  51           HB1      SER  51  -2.903   6.246   6.024
  360    HG   SER  51           HG       SER  51  -4.310   8.617   6.038
  361    H    HIS  52           HN       HIS  52  -0.042   6.125   4.906
  362    HA   HIS  52           HA       HIS  52   2.195   7.289   5.870
  363   1HB   HIS  52           HB2      HIS  52   2.038   7.167   8.398
  364   2HB   HIS  52           HB1      HIS  52   1.104   8.467   7.669
  365    HD1  HIS  52           HD1      HIS  52   0.784   5.247   9.487
  366    HD2  HIS  52           HD2      HIS  52  -1.772   8.042   7.736
  367    HE1  HIS  52           HE1      HIS  52  -1.534   4.646  10.258
  368    H    PHE  53           HN       PHE  53   3.456   5.786   7.574
  369    HA   PHE  53           HA       PHE  53   3.022   3.040   6.611
  370   1HB   PHE  53           HB2      PHE  53   5.196   4.303   8.299
  371   2HB   PHE  53           HB1      PHE  53   5.169   2.600   7.841
  372    HD1  PHE  53           HD2      PHE  53   5.167   6.059   6.470
  373    HD2  PHE  53           HD1      PHE  53   5.863   1.895   5.676
  374    HE1  PHE  53           HE2      PHE  53   6.129   6.643   4.264
  375    HE2  PHE  53           HE1      PHE  53   6.829   2.479   3.467
  376    HZ   PHE  53           HZ       PHE  53   6.961   4.853   2.759
  377    H    GLY  54           HN       GLY  54   3.028   1.247   8.180
  378   1HA   GLY  54           HA2      GLY  54   2.449   0.235  10.250
  379   2HA   GLY  54           HA1      GLY  54   2.246   1.810  10.937
  380    H    LYS  55           HN       LYS  55   0.266   0.634  11.814
  381    HA   LYS  55           HA       LYS  55  -1.973   0.475   9.894
  382   1HB   LYS  55           HB2      LYS  55  -2.789   0.194  12.659
  383   2HB   LYS  55           HB1      LYS  55  -2.866  -0.993  11.361
  384   1HG   LYS  55           HG2      LYS  55  -0.433  -1.493  11.765
  385   2HG   LYS  55           HG1      LYS  55  -0.498  -0.427  13.168
  386   1HD   LYS  55           HD2      LYS  55  -2.703  -2.310  13.212
  387   2HD   LYS  55           HD1      LYS  55  -1.159  -3.157  13.102
  388   1HE   LYS  55           HE2      LYS  55  -1.469  -0.891  15.052
  389   2HE   LYS  55           HE1      LYS  55  -2.094  -2.487  15.463
  390   1HZ   LYS  55           HZ1      LYS  55   0.101  -3.411  15.013
  391   2HZ   LYS  55           HZ3      LYS  55   0.695  -1.864  14.656
  392   3HZ   LYS  55           HZ2      LYS  55   0.170  -2.229  16.230
  393    H    CYS  56           HN       CYS  56  -3.813   1.838  10.041
  394    HA   CYS  56           HA       CYS  56  -3.284   4.552  10.842
  395   1HB   CYS  56           HB2      CYS  56  -5.294   3.140   9.374
  396   2HB   CYS  56           HB1      CYS  56  -6.088   4.144  10.587
   
  No H/Q in entry =         396