*HEADER   HORMONE                                 28-OCT-98   1BZG    
*TITLE    THE SOLUTION STRUCTURE OF HUMAN PARATHYROID HORMONE-RELATED 
*TITLE   2 PROTEIN (1-34) IN NEAR-PHYSIOLOGICAL SOLUTION, NMR,        
*TITLE   3 30 STRUCTURES                                              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: PARATHYROID HORMONE-RELATED PROTEIN;             
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: RESIDUES 1-34;                                   
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  4 ORGANISM_COMMON: HUMAN                                     
*KEYWDS   HUMAN PEPTIDE HORMONE, STIMULATING INTRACELLULAR CAMP       
*KEYWDS  2 FORMATION, SERUM CALCIUM LEVEL, HUMORAL HYPERCALCEMIA OF   
*KEYWDS  3 MALIGNANCY, SOLUTION STRUCTURE, PTHRP, PTH, HORMONE        
*EXPDTA   NMR, 30 STRUCTURES                                          
*AUTHOR   M.WEIDLER,U.C.MARX,G.SEIDEL,P.ROESCH                        
*REVDAT  1   18-MAY-99 1BZG    0                                      
 

REMARK     INPUT DISTANCE RESTRAINTS
REMARK     DERIVED FROM NMR DATA, USED IN STRUCTURE CALCULATIONS
REMARK     OF HUMAN PARATHYROID HORMONE-RELATED PROTEIN (1-34) 
REMARK     DATA FOLLOW X-PLOR 3.1 (A.T.BRUNGER, YALE UNIVERSITY) FORMAT.

assign (resid 20 and name HN)  (resid 21 and name HN)  1.8 0.0 2.2
assign (resid 25 and name HN)  (resid 24 and name HN)  1.8 0.0 3.7
assign (resid 29 and name HN)  (resid 28 and name HN)  1.8 0.0 3.7
assign (resid 7 and name HN)  (resid 8 and name HN)  1.8 0.0 2.2
assign (resid 33 and name HN)  (resid 34 and name HN)  1.8 0.0 3.7
assign (resid 32 and name HN)  (resid 31 and name HN)  1.8 0.0 3.7
assign (resid 32 and name HN)  (resid 33 and name HN)  1.8 0.0 3.7
assign (resid 5 and name HN)  (resid 6 and name HN)  1.8 0.0 3.7
assign (resid 15 and name HN)  (resid 14 and name HN)  1.8 0.0 2.2
assign (resid 21 and name HN)  (resid 19 and name HN)  1.8 0.0 3.7
assign (resid 17 and name HN)  (resid 18 and name HN)  1.8 0.0 2.2
assign (resid 9 and name HN)  (resid 8 and name HN)  1.8 0.0 0.9
assign (resid 4 and name HN)  (resid 3 and name HA)  1.8 0.0 0.9
assign (resid 5 and name HN)  (resid 4 and name HA)  1.8 0.0 2.2
assign (resid 6 and name HN)  (resid 5 and name HA)  1.8 0.0 2.2
assign (resid 7 and name HN)  (resid 6 and name HA)  1.8 0.0 0.9
assign (resid 10 and name HN)  (resid 9 and name HA)  1.8 0.0 2.2
Assign (resid 13 and name HN)  (resid 12 and name HA*)  1.8 0.0 1.4
assign (resid 14 and name HN)  (resid 13 and name HA)  1.8 0.0 0.9
assign (resid 15 and name HN)  (resid 14 and name HA)  1.8 0.0 0.9
assign (resid 20 and name HN)  (resid 19 and name HA)  1.8 0.0 2.2
assign (resid 28 and name HN)  (resid 27 and name HA)  1.8 0.0 2.2
assign (resid 29 and name HN)  (resid 28 and name HA)  1.8 0.0 2.2
assign (resid 30 and name HN)  (resid 29 and name HA)  1.8 0.0 0.9
assign (resid 31 and name HN)  (resid 30 and name HA)  1.8 0.0 0.9
assign (resid 32 and name HN)  (resid 31 and name HA)  1.8 0.0 0.9
assign (resid 33 and name HN)  (resid 32 and name HA)  1.8 0.0 0.9
assign (resid 34 and name HN)  (resid 33 and name HA)  1.8 0.0 0.9
assign (resid 18 and name HN)  (resid 17 and name HA)  1.8 0.0 2.2
assign (resid 17 and name HN)  (resid 16 and name HA)  1.8 0.0 2.2
assign (resid 12 and name HN)  (resid 11 and name HA)  1.8 0.0 2.2
assign (resid 11 and name HN)  (resid 10 and name HA)  1.8 0.0 3.7
assign (resid 11 and name HN)  (resid 12 and name HA*)  1.8 0.0 4.2
assign (resid 15 and name HN)  (resid 13 and name HA)  1.8 0.0 3.7
assign (resid 19 and name HN)  (resid 18 and name HA)  1.8 0.0 2.2
assign (resid 17 and name HN)  (resid 15 and name HA)  1.8 0.0 3.7
assign (resid 17 and name HN)  (resid 14 and name HB1)  1.8 0.0 3.7
assign (resid 13 and name HN)  (resid 11 and name HA)  1.8 0.0 3.7
assign (resid 32 and name HN)  (resid 30 and name HA)  1.8 0.0 3.7
assign (resid 19 and name HN)  (resid 17 and name HA)  1.8 0.0 3.7
assign (resid 22 and name HN)  (resid 19 and name HA)  1.8 0.0 2.2
assign (resid 18 and name HN)  (resid 15 and name HA)  1.8 0.0 0.9
assign (resid 17 and name HN)  (resid 14 and name HA)  1.8 0.0 2.2
assign (resid 8 and name HN)  (resid 5 and name HA)  1.8 0.0 2.2
assign (resid 9 and name HN)  (resid 6 and name HA)  1.8 0.0 2.2
assign (resid 10 and name HN)  (resid 7 and name HA)  1.8 0.0 2.2
assign (resid 19 and name HN)  (resid 16 and name HA)  1.8 0.0 2.2
assign (resid 20 and name HN)  (resid 16 and name HA)  1.8 0.0 3.7
assign (resid 21 and name HN)  (resid 17 and name HA)  1.8 0.0 3.7
assign (resid 22 and name HN)  (resid 18 and name HA)  1.8 0.0 3.7
assign (resid 21 and name HN)  (resid 18 and name HA)  1.8 0.0 2.2
assign (resid 23 and name HN)  (resid 20 and name HA)  1.8 0.0 2.2
assign (resid 24 and name HN)  (resid 21 and name HA)  1.8 0.0 3.7
assign (resid 25 and name HN)  (resid 21 and name HA)  1.8 0.0 3.7
assign (resid 25 and name HN)  (resid 22 and name HA)  1.8 0.0 2.2
assign (resid 26 and name HN)  (resid 22 and name HA)  1.8 0.0 3.7
assign (resid 26 and name HN)  (resid 23 and name HA)  1.8 0.0 2.2
assign (resid 27 and name HN)  (resid 23 and name HA)  1.8 0.0 3.7
assign (resid 27 and name HN)  (resid 24 and name HA)  1.8 0.0 2.2
assign (resid 28 and name HN)  (resid 24 and name HA)  1.8 0.0 3.7
assign (resid 29 and name HN)  (resid 25 and name HA)  1.8 0.0 3.7
assign (resid 29 and name HN)  (resid 26 and name HA)  1.8 0.0 3.7
assign (resid 20 and name HN)  (resid 17 and name HA)  1.8 0.0 2.2
assign (resid 23 and name HN)  (resid 19 and name HA)  1.8 0.0 2.2
assign (resid 5 and name HA)  (resid 8 and name HB1)  1.8 0.0 3.7
assign (resid 13 and name HA)  (resid 16 and name HB*)  1.8 0.0 4.2
assign (resid 14 and name HA)  (resid 17 and name HB*)  1.8 0.0 4.2
assign (resid 6 and name HA)  (resid 9 and name HB1)  1.8 0.0 3.7
assign (resid 17 and name HA)  (resid 19 and name HB2)  1.8 0.0 3.7
assign (resid 17 and name HA)  (resid 19 and name HB1)  1.8 0.0 2.2
assign (resid 24 and name HN)  (resid 20 and name HA)  1.8 0.0 3.7
assign (resid 19 and name HA)  (resid 22 and name HB2)  1.8 0.0 3.7
assign (resid 12 and name HA*)  (resid 15 and name HB)  1.8 0.0 4.2
assign (resid 26 and name HA)  (resid 29 and name HB*)  1.8 0.0 4.2
assign (resid 3 and name HN)  (resid 2 and name HB)  1.8 0.0 2.2
assign (resid 4 and name HN)  (resid 3 and name HB1)  1.8 0.0 3.7
assign (resid 4 and name HN)  (resid 3 and name HB2)  1.8 0.0 3.7
assign (resid 5 and name HN)  (resid 4 and name HB1)  1.8 0.0 3.7
assign (resid 5 and name HN)  (resid 4 and name HB2)  1.8 0.0 3.7
assign (resid 6 and name HN)  (resid 5 and name HB1)  1.8 0.0 3.7
assign (resid 6 and name HN)  (resid 5 and name HB2)  1.8 0.0 3.7
assign (resid 7 and name HN)  (resid 6 and name HG*)  1.8 0.0 4.2
assign (resid 15 and name HN)  (resid 14 and name HB1)  1.8 0.0 3.7
assign (resid 15 and name HN)  (resid 14 and name HB2)  1.8 0.0 3.7
assign (resid 29 and name HN)  (resid 28 and name HB)  1.8 0.0 3.7
assign (resid 30 and name HN)  (resid 29 and name HB*)  1.8 0.0 2.7
assign (resid 31 and name HN)  (resid 30 and name HB1)  1.8 0.0 3.7
assign (resid 32 and name HN)  (resid 31 and name HB)  1.8 0.0 2.2
assign (resid 23 and name HN)  (resid 20 and name HB1)  1.8 0.0 3.7
assign (resid 34 and name HN)  (resid 33 and name HB)  1.8 0.0 3.7
assign (resid 17 and name HN)  (resid 16 and name HB*)  1.8 0.0 4.2
assign (resid 33 and name HN)  (resid 32 and name HB1)  1.8 0.0 3.7
assign (resid 33 and name HN)  (resid 32 and name HB2)  1.8 0.0 3.7
assign (resid 26 and name HN)  (resid 25 and name HB2)  1.8 0.0 3.7
assign (resid 10 and name HN)  (resid 9 and name HB2)  1.8 0.0 3.7
assign (resid 10 and name HN)  (resid 9 and name HB1)  1.8 0.0 3.7
assign (resid 11 and name HA)  (resid 12 and name HA*)  1.8 0.0 4.2
assign (resid 13 and name HA)  (resid 12 and name HA*)  1.8 0.0 4.2
assign (resid 15 and name HA)  (resid 16 and name HG*)  1.8 0.0 4.2
assign (resid 13 and name HA)  (resid 16 and name HG*)  1.8 0.0 4.2
assign (resid 15 and name HA)  (resid 16 and name HB*)  1.8 0.0 4.2
assign (resid 13 and name HA)  (resid 17 and name HB*)  1.8 0.0 4.2
assign (resid 14 and name HB2)  (resid 17 and name HB*)  1.8 0.0 4.2
assign (resid 15 and name HA)  (resid 17 and name HB*)  1.8 0.0 4.2
assign (resid 14 and name HB1)  (resid 17 and name HB*)  1.8 0.0 4.2
assign (resid 17 and name HA)  (resid 16 and name HA)  1.8 0.0 3.7
assign (resid 22 and name HA)  (resid 19 and name HA)  1.8 0.0 3.7
assign (resid 23 and name HA)  (resid 19 and name HA)  1.8 0.0 3.7
assign (resid 14 and name HB2)  (resid 13 and name HA)  1.8 0.0 3.7
assign (resid 27 and name HA)  (resid 28 and name HA)  1.8 0.0 3.7
assign (resid 6 and name HA)  (resid 9 and name HB2)  1.8 0.0 3.7
assign (resid 17 and name HA)  (resid 16 and name HG*)  1.8 0.0 4.2
assign (resid 17 and name HA)  (resid 16 and name HB*)  1.8 0.0 4.2
assign (resid 31 and name HN)  (resid 30 and name HG1)  1.8 0.0 3.7
assign (resid 31 and name HN)  (resid 30 and name HG2)  1.8 0.0 3.7
assign (resid 15 and name HA)  (resid 13 and name HB2)  1.8 0.0 3.7
assign (resid 15 and name HA)  (resid 11 and name HD*)  1.8 0.0 4.2
assign (resid 15 and name HA)  (resid 18 and name HB*)  1.8 0.0 4.2
assign (resid 30 and name HA)  (resid 31 and name HB)  1.8 0.0 3.7
assign (resid 3 and name HA)  (resid 4 and name HB1)  1.8 0.0 3.7
assign (resid 12 and name HA*)  (resid 13 and name HD*)  1.8 0.0 4.7
assign (resid 12 and name HA*)  (resid 13 and name HB2)  1.8 0.0 4.2
assign (resid 12 and name HA*)  (resid 13 and name HG2)  1.8 0.0 4.2
assign (resid 12 and name HA*)  (resid 15 and name HG11)  1.8 0.0 4.2
assign (resid 12 and name HA*)  (resid 15 and name HD*)  1.8 0.0 5.2
assign (resid 12 and name HA*)  (resid 15 and name HG2*)  1.8 0.0 5.2
assign (resid 17 and name HA)  (resid 19 and name HG*)  1.8 0.0 2.7
assign (resid 17 and name HA)  (resid 21 and name HB2)  1.8 0.0 3.7
assign (resid 10 and name HA)  (resid 11 and name HB2)  1.8 0.0 3.7
assign (resid 26 and name HA)  (resid 30 and name HB2)  1.8 0.0 3.7
assign (resid 14 and name HA)  (resid 15 and name HG12)  1.8 0.0 3.7
assign (resid 26 and name HA)  (resid 27 and name HG)  1.8 0.0 3.7
assign (resid 26 and name HA)  (resid 27 and name HD1*)  1.8 0.0 4.7
assign (resid 26 and name HA)  (resid 27 and name HD2*)  1.8 0.0 4.7
assign (resid 22 and name HD*)  (resid 18 and name HD1*)  1.8 0.0 5.2
assign (resid 22 and name HD*)  (resid 18 and name HD2*)  1.8 0.0 5.2
assign (resid 26 and name HD2)  (resid 27 and name HD2*)  1.8 0.0 4.7
assign (resid 26 and name HD2)  (resid 27 and name HD1*)  1.8 0.0 4.7
assign (resid 3 and name HA)  (resid 2 and name HG*)  1.8 0.0 5.2
assign (resid 14 and name HA)  (resid 15 and name HG2*)  1.8 0.0 4.7
assign (resid 30 and name HA)  (resid 29 and name HB*)  1.8 0.0 4.2
assign (resid 30 and name HA)  (resid 31 and name HG1*)  1.8 0.0 4.7
assign (resid 14 and name HA)  (resid 15 and name HG11)  1.8 0.0 3.7
assign (resid 5 and name HA)  (resid 6 and name HG*)  1.8 0.0 4.2
assign (resid 5 and name HA)  (resid 6 and name HB2)  1.8 0.0 3.7
assign (resid 9 and name HA)  (resid 10 and name HB2)  1.8 0.0 3.7
assign (resid 32 and name HA)  (resid 33 and name HA)  1.8 0.0 3.7
assign (resid 5 and name HA)  (resid 6 and name HA)  1.8 0.0 3.7
assign (resid 29 and name HA)  (resid 30 and name HG1)  1.8 0.0 3.7
assign (resid 21 and name HH1*)  (resid 15 and name HD*)  1.8 0.0 5.2
assign (resid 21 and name HH1*)  (resid 15 and name HG2*)  1.8 0.0 5.2
assign (resid 19 and name HH1*)  (resid 15 and name HG2*)  1.8 0.0 5.2
assign (resid 19 and name HH1*)  (resid 15 and name HD*)  1.8 0.0 5.2
assign (resid 21 and name HE)  (resid 15 and name HD*)  1.8 0.0 4.7
assign (resid 23 and name HE*)  (resid 24 and name HD1*)  1.8 0.0 5.2
assign (resid 23 and name HE*)  (resid 24 and name HD2*)  1.8 0.0 5.2
assign (resid 9 and name HD2)  (resid 10 and name HB1)  1.8 0.0 3.7
assign (resid 19 and name HN)  (resid 17 and name HB*)  1.8 0.0 4.2
assign (resid 22 and name HD*)  (resid 21 and name HB*)  1.8 0.0 4.7
assign (resid 20 and name HN)  (resid 23 and name HB2)  1.8 0.0 3.7
assign (resid 21 and name HN)  (resid 17 and name HB*)  1.8 0.0 4.2
assign (resid 20 and name HN)  (resid 19 and name HD*)  1.8 0.0 4.2
assign (resid 17 and name HN)  (resid 16 and name HG*)  1.8 0.0 4.2
assign (resid 20 and name HN)  (resid 19 and name HB1)  1.8 0.0 2.2
assign (resid 18 and name HN)  (resid 16 and name HB*)  1.8 0.0 4.2
assign (resid 3 and name HN)  (resid 2 and name HG*)  1.8 0.0 1.9
assign (resid 7 and name HN)  (resid 2 and name HG*)  1.8 0.0 4.7
assign (resid 6 and name HN)  (resid 2 and name HG*)  1.8 0.0 4.7
assign (resid 12 and name HN)  (resid 13 and name HB2)  1.8 0.0 3.7
assign (resid 12 and name HN)  (resid 13 and name HB1)  1.8 0.0 3.7
assign (resid 12 and name HN)  (resid 13 and name HD*)  1.8 0.0 4.2
assign (resid 12 and name HN)  (resid 13 and name HG1)  1.8 0.0 3.7
assign (resid 12 and name HN)  (resid 13 and name HG2)  1.8 0.0 3.7
assign (resid 11 and name HN)  (resid 10 and name HB2)  1.8 0.0 3.7
assign (resid 11 and name HN)  (resid 10 and name HB1)  1.8 0.0 3.7
assign (resid 32 and name HN)  (resid 31 and name HG2*)  1.8 0.0 4.7
assign (resid 32 and name HN)  (resid 31 and name HG1*)  1.8 0.0 4.7
assign (resid 32 and name HN)  (resid 31 and name HD*)  1.8 0.0 3.2
assign (resid 33 and name HN)  (resid 31 and name HD*)  1.8 0.0 4.7
assign (resid 34 and name HN)  (resid 33 and name HG2*)  1.8 0.0 4.7
assign (resid 16 and name HN)  (resid 17 and name HB*)  1.8 0.0 4.2
assign (resid 17 and name HB*)  (resid 16 and name HB*)  1.8 0.0 4.7
assign (resid 17 and name HB*)  (resid 19 and name HB1)  1.8 0.0 4.2
assign (resid 17 and name HB*)  (resid 19 and name HG*)  1.8 0.0 4.7
assign (resid 33 and name HN)  (resid 31 and name HG2*)  1.8 0.0 4.7
assign (resid 17 and name HN)  (resid 15 and name HG12)  1.8 0.0 3.7
assign (resid 6 and name HE21)  (resid 2 and name HG*)  1.8 0.0 4.7
assign (resid 14 and name HB1)  (resid 16 and name HB*)  1.8 0.0 4.2
assign (resid 19 and name HN)  (resid 16 and name HG*)  1.8 0.0 4.2
assign (resid 14 and name HA)  (resid 16 and name HG*)  1.8 0.0 4.2
assign (resid 17 and name HB*)  (resid 16 and name HG*)  1.8 0.0 4.7
assign (resid 12 and name HA*)  (resid 13 and name HA)  1.8 0.0 4.2
assign (resid 31 and name HN)  (resid 32 and name HA)  1.8 0.0 3.7
assign (resid 33 and name HA)  (resid 32 and name HA)  1.8 0.0 3.7
assign (resid 6 and name HG*)  (resid 2 and name HG*)  1.8 0.0 5.2
assign (resid 17 and name HN)  (resid 19 and name HB2)  1.8 0.0 3.7
assign (resid 19 and name HE)  (resid 17 and name HA)  1.8 0.0 3.7
assign (resid 22 and name HN)  (resid 23 and name HD*)  1.8 0.0 4.2
assign (resid 23 and name HN)  (resid 22 and name HE*)  1.8 0.0 4.2
assign (resid 17 and name HN)  (resid 13 and name HA)  1.8 0.0 3.7
assign (resid 6 and name HN)  (resid 3 and name HB2)  1.8 0.0 3.7
assign (resid 6 and name HN)  (resid 3 and name HB1)  1.8 0.0 3.7
assign (resid 7 and name HN)  (resid 10 and name HB2)  1.8 0.0 3.7
assign (resid 13 and name HN)  (resid 10 and name HB2)  1.8 0.0 3.7
assign (resid 13 and name HN)  (resid 10 and name HB1)  1.8 0.0 3.7
assign (resid 20 and name HN)  (resid 17 and name HB*)  1.8 0.0 4.2
assign (resid 23 and name HE*)  (resid 19 and name HB1)  1.8 0.0 4.2
assign (resid 32 and name HA)  (resid 33 and name HG2*)  1.8 0.0 4.7
assign (resid 32 and name HA)  (resid 31 and name HA)  1.8 0.0 3.7
assign (resid 2 and name HN)  (resid 2 and name HA)  1.8 0.0 0.9
assign (resid 2 and name HN)  (resid 2 and name HB)  1.8 0.0 0.9
assign (resid 2 and name HN)  (resid 2 and name HG*)  1.8 0.0 1.9
assign (resid 1 and name HA)  (resid 1 and name HB*)  1.8 0.0 1.4
assign (resid 2 and name HA)  (resid 2 and name HB)  1.8 0.0 0.9
assign (resid 2 and name HA)  (resid 2 and name HG*)  1.8 0.0 1.9
assign (resid 2 and name HB)  (resid 2 and name HG*)  1.8 0.0 1.9
assign (resid 3 and name HN)  (resid 3 and name HB1)  1.8 0.0 0.9
assign (resid 3 and name HN)  (resid 3 and name HB2)  1.8 0.0 2.2
assign (resid 3 and name HA)  (resid 3 and name HB2)  1.8 0.0 0.9
assign (resid 3 and name HA)  (resid 3 and name HB1)  1.8 0.0 2.2
assign (resid 3 and name HB2)  (resid 3 and name HB1)  1.8 0.0 2.2
assign (resid 4 and name HN)  (resid 4 and name HG2)  1.8 0.0 3.7
assign (resid 4 and name HN)  (resid 4 and name HG1)  1.8 0.0 3.7
assign (resid 4 and name HN)  (resid 4 and name HB1)  1.8 0.0 0.9
assign (resid 4 and name HN)  (resid 4 and name HB2)  1.8 0.0 0.9
assign (resid 5 and name HN)  (resid 5 and name HA)  1.8 0.0 0.9
assign (resid 5 and name HN)  (resid 5 and name HB1)  1.8 0.0 2.2
assign (resid 5 and name HN)  (resid 5 and name HB2)  1.8 0.0 0.9
assign (resid 5 and name HE1)  (resid 5 and name HB2)  1.8 0.0 3.7
assign (resid 5 and name HD2)  (resid 5 and name HA)  1.8 0.0 2.2
assign (resid 5 and name HD2)  (resid 5 and name HB1)  1.8 0.0 2.2
assign (resid 5 and name HD2)  (resid 5 and name HB2)  1.8 0.0 0.9
assign (resid 5 and name HE1)  (resid 5 and name HD2)  1.8 0.0 3.7
assign (resid 5 and name HN)  (resid 5 and name HD2)  1.8 0.0 3.7
assign (resid 5 and name HA)  (resid 5 and name HB1)  1.8 0.0 0.9
assign (resid 5 and name HA)  (resid 5 and name HB2)  1.8 0.0 0.9
assign (resid 5 and name HB1)  (resid 5 and name HB2)  1.8 0.0 0.9
assign (resid 6 and name HN)  (resid 6 and name HA)  1.8 0.0 0.9
assign (resid 6 and name HN)  (resid 6 and name HG*)  1.8 0.0 1.4
assign (resid 6 and name HN)  (resid 6 and name HB1)  1.8 0.0 2.2
assign (resid 6 and name HN)  (resid 6 and name HB2)  1.8 0.0 0.9
assign (resid 6 and name HE21)  (resid 6 and name HE22)  1.8 0.0 0.9
assign (resid 6 and name HE21)  (resid 6 and name HA)  1.8 0.0 3.7
assign (resid 6 and name HE22)  (resid 6 and name HA)  1.8 0.0 3.7
assign (resid 6 and name HE21)  (resid 6 and name HG*)  1.8 0.0 2.7
assign (resid 6 and name HE21)  (resid 6 and name HB2)  1.8 0.0 3.7
assign (resid 6 and name HE21)  (resid 6 and name HB1)  1.8 0.0 3.7
assign (resid 6 and name HE22)  (resid 6 and name HB1)  1.8 0.0 3.7
assign (resid 6 and name HE22)  (resid 6 and name HG*)  1.8 0.0 2.7
assign (resid 6 and name HA)  (resid 6 and name HG*)  1.8 0.0 1.4
assign (resid 6 and name HA)  (resid 6 and name HB1)  1.8 0.0 0.9
assign (resid 6 and name HA)  (resid 6 and name HB2)  1.8 0.0 0.9
assign (resid 6 and name HG*)  (resid 6 and name HB1)  1.8 0.0 1.4
assign (resid 6 and name HG*)  (resid 6 and name HB2)  1.8 0.0 1.4
assign (resid 6 and name HB1)  (resid 6 and name HB2)  1.8 0.0 0.9
assign (resid 7 and name HN)  (resid 7 and name HB*)  1.8 0.0 1.4
assign (resid 7 and name HN)  (resid 7 and name HG)  1.8 0.0 2.2
assign (resid 7 and name HN)  (resid 7 and name HD1*)  1.8 0.0 3.2
assign (resid 7 and name HN)  (resid 7 and name HD2*)  1.8 0.0 3.2
assign (resid 7 and name HN)  (resid 7 and name HA)  1.8 0.0 0.9
assign (resid 7 and name HA)  (resid 7 and name HB*)  1.8 0.0 1.4
assign (resid 7 and name HA)  (resid 7 and name HD2*)  1.8 0.0 1.9
assign (resid 7 and name HA)  (resid 7 and name HD1*)  1.8 0.0 1.9
assign (resid 7 and name HA)  (resid 7 and name HG)  1.8 0.0 0.9
assign (resid 7 and name HB*)  (resid 7 and name HG)  1.8 0.0 1.4
assign (resid 7 and name HB*)  (resid 7 and name HD2*)  1.8 0.0 2.4
assign (resid 7 and name HD1*)  (resid 7 and name HD2*)  1.8 0.0 2.9
assign (resid 8 and name HN)  (resid 8 and name HA)  1.8 0.0 0.9
assign (resid 8 and name HN)  (resid 8 and name HB1)  1.8 0.0 0.9
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assign (resid 8 and name HB1)  (resid 8 and name HG)  1.8 0.0 0.9
assign (resid 8 and name HB1)  (resid 8 and name HD1*)  1.8 0.0 1.9
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assign (resid 10 and name HA)  (resid 10 and name HB1)  1.8 0.0 2.2
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assign (resid 13 and name HB1)  (resid 13 and name HD*)  1.8 0.0 2.7
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assign (resid 15 and name HA)  (resid 15 and name HB)  1.8 0.0 0.9
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assign (resid 16 and name HA)  (resid 16 and name HG*)  1.8 0.0 2.7
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assign (resid 26 and name HE1)  (resid 26 and name HB1)  1.8 0.0 3.7
assign (resid 26 and name HA)  (resid 26 and name HB1)  1.8 0.0 0.9
assign (resid 26 and name HA)  (resid 26 and name HB2)  1.8 0.0 0.9
assign (resid 26 and name HB1)  (resid 26 and name HB2)  1.8 0.0 0.9
assign (resid 27 and name HN)  (resid 27 and name HA)  1.8 0.0 2.2
assign (resid 27 and name HN)  (resid 27 and name HB*)  1.8 0.0 2.7
assign (resid 27 and name HN)  (resid 27 and name HG)  1.8 0.0 2.2
assign (resid 27 and name HN)  (resid 27 and name HD2*)  1.8 0.0 4.7
assign (resid 27 and name HN)  (resid 27 and name HD1*)  1.8 0.0 4.7
assign (resid 27 and name HA)  (resid 27 and name HG)  1.8 0.0 2.2
assign (resid 27 and name HA)  (resid 27 and name HB*)  1.8 0.0 2.7
assign (resid 27 and name HA)  (resid 27 and name HD2*)  1.8 0.0 3.2
assign (resid 27 and name HB*)  (resid 27 and name HG)  1.8 0.0 1.4
assign (resid 27 and name HB*)  (resid 27 and name HD2*)  1.8 0.0 3.7
assign (resid 27 and name HB*)  (resid 27 and name HD1*)  1.8 0.0 3.7
assign (resid 27 and name HG)  (resid 27 and name HD2*)  1.8 0.0 3.2
assign (resid 27 and name HG)  (resid 27 and name HD1*)  1.8 0.0 3.2
assign (resid 27 and name HD1*)  (resid 27 and name HD2*)  1.8 0.0 4.2
assign (resid 28 and name HN)  (resid 28 and name HA)  1.8 0.0 2.2
assign (resid 28 and name HN)  (resid 28 and name HB)  1.8 0.0 2.2
assign (resid 28 and name HN)  (resid 28 and name HG1*)  1.8 0.0 4.7
assign (resid 28 and name HN)  (resid 28 and name HG2*)  1.8 0.0 4.7
assign (resid 28 and name HN)  (resid 28 and name HD*)  1.8 0.0 4.7
assign (resid 28 and name HA)  (resid 28 and name HB)  1.8 0.0 2.2
assign (resid 28 and name HA)  (resid 28 and name HG1*)  1.8 0.0 3.2
assign (resid 28 and name HA)  (resid 28 and name HG2*)  1.8 0.0 1.9
assign (resid 28 and name HA)  (resid 28 and name HD*)  1.8 0.0 3.2
assign (resid 28 and name HB)  (resid 28 and name HG1*)  1.8 0.0 3.2
assign (resid 28 and name HB)  (resid 28 and name HG2*)  1.8 0.0 3.2
assign (resid 28 and name HB)  (resid 28 and name HD*)  1.8 0.0 3.2
assign (resid 28 and name HG1*)  (resid 28 and name HG2*)  1.8 0.0 2.9
assign (resid 28 and name HG1*)  (resid 28 and name HD*)  1.8 0.0 2.9
assign (resid 29 and name HN)  (resid 29 and name HA)  1.8 0.0 0.9
assign (resid 29 and name HA)  (resid 29 and name HB*)  1.8 0.0 1.4
assign (resid 29 and name HN)  (resid 29 and name HB*)  1.8 0.0 1.4
assign (resid 30 and name HN)  (resid 30 and name HA)  1.8 0.0 2.2
assign (resid 30 and name HN)  (resid 30 and name HG1)  1.8 0.0 2.2
assign (resid 30 and name HN)  (resid 30 and name HG2)  1.8 0.0 2.2
assign (resid 30 and name HN)  (resid 30 and name HB2)  1.8 0.0 2.2
assign (resid 30 and name HN)  (resid 30 and name HB1)  1.8 0.0 2.2
assign (resid 30 and name HA)  (resid 30 and name HG1)  1.8 0.0 2.2
assign (resid 30 and name HA)  (resid 30 and name HG2)  1.8 0.0 2.2
assign (resid 30 and name HA)  (resid 30 and name HB1)  1.8 0.0 0.9
assign (resid 30 and name HA)  (resid 30 and name HB2)  1.8 0.0 0.9
assign (resid 30 and name HG1)  (resid 30 and name HG2)  1.8 0.0 0.9
assign (resid 30 and name HG1)  (resid 30 and name HB2)  1.8 0.0 2.2
assign (resid 30 and name HG2)  (resid 30 and name HB1)  1.8 0.0 3.7
assign (resid 30 and name HG1)  (resid 30 and name HB1)  1.8 0.0 3.7
assign (resid 30 and name HG2)  (resid 30 and name HB2)  1.8 0.0 3.7
assign (resid 30 and name HB1)  (resid 30 and name HB2)  1.8 0.0 0.9
assign (resid 31 and name HN)  (resid 31 and name HA)  1.8 0.0 2.2
assign (resid 31 and name HN)  (resid 31 and name HB)  1.8 0.0 2.2
assign (resid 31 and name HN)  (resid 31 and name HG1*)  1.8 0.0 4.7
assign (resid 31 and name HN)  (resid 31 and name HG2*)  1.8 0.0 3.2
assign (resid 31 and name HN)  (resid 31 and name HD*)  1.8 0.0 4.7
assign (resid 31 and name HA)  (resid 31 and name HB)  1.8 0.0 2.2
assign (resid 31 and name HA)  (resid 31 and name HG1*)  1.8 0.0 4.7
assign (resid 31 and name HA)  (resid 31 and name HG2*)  1.8 0.0 3.2
assign (resid 31 and name HA)  (resid 31 and name HD*)  1.8 0.0 1.9
assign (resid 31 and name HB)  (resid 31 and name HG2*)  1.8 0.0 3.2
assign (resid 31 and name HB)  (resid 31 and name HD*)  1.8 0.0 1.9
assign (resid 31 and name HB)  (resid 31 and name HG1*)  1.8 0.0 3.2
assign (resid 31 and name HG2*)  (resid 31 and name HD*)  1.8 0.0 2.9
assign (resid 31 and name HG1*)  (resid 31 and name HG2*)  1.8 0.0 2.9
assign (resid 32 and name HN)  (resid 32 and name HA)  1.8 0.0 0.9
assign (resid 32 and name HD2)  (resid 32 and name HA)  1.8 0.0 3.7
assign (resid 32 and name HN)  (resid 32 and name HD2)  1.8 0.0 3.7
assign (resid 32 and name HE1)  (resid 32 and name HD2)  1.8 0.0 3.7
assign (resid 32 and name HN)  (resid 32 and name HB2)  1.8 0.0 2.2
assign (resid 32 and name HN)  (resid 32 and name HB1)  1.8 0.0 3.7
assign (resid 32 and name HE1)  (resid 32 and name HB2)  1.8 0.0 3.7
assign (resid 32 and name HD2)  (resid 32 and name HB2)  1.8 0.0 2.2
assign (resid 32 and name HD2)  (resid 32 and name HB1)  1.8 0.0 2.2
assign (resid 32 and name HA)  (resid 32 and name HB2)  1.8 0.0 2.2
assign (resid 32 and name HA)  (resid 32 and name HB1)  1.8 0.0 2.2
assign (resid 32 and name HB1)  (resid 32 and name HB2)  1.8 0.0 0.9
assign (resid 33 and name HN)  (resid 33 and name HA)  1.8 0.0 2.2
assign (resid 33 and name HN)  (resid 33 and name HB)  1.8 0.0 3.7
assign (resid 33 and name HN)  (resid 33 and name HG2*)  1.8 0.0 3.2
assign (resid 33 and name HA)  (resid 33 and name HB)  1.8 0.0 2.2
assign (resid 33 and name HA)  (resid 33 and name HG2*)  1.8 0.0 1.9
assign (resid 33 and name HB)  (resid 33 and name HG2*)  1.8 0.0 1.9
assign (resid 34 and name HN)  (resid 34 and name HA)  1.8 0.0 2.2
assign (resid 34 and name HN)  (resid 34 and name HB*)  1.8 0.0 1.4
assign (resid 34 and name HA)  (resid 34 and name HB*)  1.8 0.0 2.7
assign (resid 24 and name HN)  (resid 25 and name HA)  1.8 0.0 3.7
assign (resid 14 and name HN)  (resid 13 and name HE*)  1.8 0.0 4.2
assign (resid 19 and name HN)  (resid 21 and name HD*)  1.8 0.0 4.2
assign (resid 23 and name HN)  (resid 22 and name HB1)  1.8 0.0 2.2
assign (resid 24 and name HN)  (resid 25 and name HB2)  1.8 0.0 3.7
assign (resid 14 and name HN)  (resid 17 and name HB*)  1.8 0.0 4.2
assign (resid 18 and name HN)  (resid 17 and name HB*)  1.8 0.0 2.7
assign (resid 3 and name HN)  (resid 6 and name HG*)  1.8 0.0 4.2
assign (resid 18 and name HN)  (resid 16 and name HG*)  1.8 0.0 4.2
assign (resid 5 and name HN)  (resid 4 and name HG1)  1.8 0.0 3.7
assign (resid 5 and name HN)  (resid 4 and name HG2)  1.8 0.0 3.7
assign (resid 7 and name HN)  (resid 6 and name HB2)  1.8 0.0 2.2
assign (resid 7 and name HN)  (resid 6 and name HB1)  1.8 0.0 2.2
assign (resid 31 and name HN)  (resid 30 and name HB2)  1.8 0.0 3.7
assign (resid 23 and name HN)  (resid 21 and name HB1)  1.8 0.0 3.7
assign (resid 17 and name HN)  (resid 20 and name HB1)  1.8 0.0 3.7
assign (resid 15 and name HN)  (resid 11 and name HD*)  1.8 0.0 4.2
assign (resid 19 and name HN)  (resid 18 and name HD2*)  1.8 0.0 4.7
assign (resid 19 and name HN)  (resid 18 and name HD1*)  1.8 0.0 4.7
assign (resid 19 and name HN)  (resid 15 and name HG2*)  1.8 0.0 4.7
assign (resid 20 and name HN)  (resid 18 and name HD2*)  1.8 0.0 4.7
assign (resid 20 and name HN)  (resid 18 and name HD1*)  1.8 0.0 4.7
assign (resid 32 and name HN)  (resid 34 and name HB*)  1.8 0.0 5.2
assign (resid 27 and name HN)  (resid 28 and name HG1*)  1.8 0.0 4.7
assign (resid 5 and name HE1)  (resid 8 and name HD1*)  1.8 0.0 4.7
assign (resid 5 and name HE1)  (resid 8 and name HD2*)  1.8 0.0 4.7
assign (resid 9 and name HN)  (resid 8 and name HD2*)  1.8 0.0 4.7
assign (resid 9 and name HN)  (resid 8 and name HD1*)  1.8 0.0 4.7
assign (resid 2 and name HN)  (resid 1 and name HB*)  1.8 0.0 3.2
assign (resid 9 and name HN)  (resid 8 and name HB1)  1.8 0.0 2.2
assign (resid 29 and name HN)  (resid 27 and name HB*)  1.8 0.0 4.2
assign (resid 18 and name HN)  (resid 19 and name HB2)  1.8 0.0 3.7
assign (resid 28 and name HN)  (resid 27 and name HB*)  1.8 0.0 4.2
assign (resid 21 and name HN)  (resid 18 and name HB*)  1.8 0.0 4.2
assign (resid 28 and name HN)  (resid 27 and name HG)  1.8 0.0 3.7
assign (resid 24 and name HN)  (resid 27 and name HG)  1.8 0.0 3.7
assign (resid 16 and name HE21)  (resid 15 and name HG2*)  1.8 0.0 4.7
assign (resid 16 and name HE21)  (resid 15 and name HD*)  1.8 0.0 4.7
assign (resid 23 and name HD*)  (resid 24 and name HD1*)  1.8 0.0 5.2
assign (resid 22 and name HZ)  (resid 18 and name HD1*)  1.8 0.0 4.7
assign (resid 22 and name HZ)  (resid 18 and name HD2*)  1.8 0.0 4.7
assign (resid 23 and name HD*)  (resid 24 and name HD2*)  1.8 0.0 5.2
assign (resid 9 and name HD2)  (resid 8 and name HD1*)  1.8 0.0 4.7
assign (resid 9 and name HD2)  (resid 8 and name HD2*)  1.8 0.0 4.7
assign (resid 17 and name HA)  (resid 15 and name HD*)  1.8 0.0 4.7
assign (resid 23 and name HA)  (resid 24 and name HD2*)  1.8 0.0 4.7
assign (resid 30 and name HA)  (resid 31 and name HD*)  1.8 0.0 4.7
assign (resid 25 and name HB2)  (resid 24 and name HD1*)  1.8 0.0 5.0
assign (resid 25 and name HB2)  (resid 24 and name HD2*)  1.8 0.0 5.0
assign (resid 21 and name HD*)  (resid 18 and name HD1*)  1.8 0.0 5.2
assign (resid 21 and name HD*)  (resid 18 and name HD2*)  1.8 0.0 5.2
assign (resid 9 and name HB1)  (resid 8 and name HD1*)  1.8 0.0 4.7
assign (resid 9 and name HB1)  (resid 8 and name HD2*)  1.8 0.0 5.0
assign (resid 22 and name HB1)  (resid 18 and name HD1*)  1.8 0.0 4.7
assign (resid 22 and name HB2)  (resid 18 and name HD1*)  1.8 0.0 4.7
assign (resid 11 and name HE*)  (resid 15 and name HG2*)  1.8 0.0 5.2
assign (resid 11 and name HE*)  (resid 15 and name HD*)  1.8 0.0 5.2
assign (resid 17 and name HB*)  (resid 15 and name HG2*)  1.8 0.0 5.2
assign (resid 17 and name HB*)  (resid 15 and name HD*)  1.8 0.0 5.2
assign (resid 16 and name HG*)  (resid 15 and name HG2*)  1.8 0.0 5.2
assign (resid 16 and name HG*)  (resid 15 and name HD*)  1.8 0.0 5.2
assign (resid 9 and name HA)  (resid 8 and name HD2*)  1.8 0.0 4.7
assign (resid 9 and name HA)  (resid 8 and name HD1*)  1.8 0.0 4.7
assign (resid 12 and name HN)  (resid 15 and name HG11)  1.8 0.0 3.7
assign (resid 26 and name HD2)  (resid 27 and name HG)  1.8 0.0 3.7
assign (resid 26 and name HD2)  (resid 27 and name HB*)  1.8 0.0 4.2
assign (resid 22 and name HD*)  (resid 19 and name HG*)  1.8 0.0 4.7
assign (resid 10 and name HA)  (resid 13 and name HG2)  1.8 0.0 3.7
assign (resid 26 and name HA)  (resid 27 and name HB*)  1.8 0.0 4.2
assign (resid 23 and name HA)  (resid 27 and name HB*)  1.8 0.0 4.2
assign (resid 10 and name HA)  (resid 13 and name HG1)  1.8 0.0 3.7
assign (resid 27 and name HA)  (resid 28 and name HG1*)  1.8 0.0 4.7
assign (resid 26 and name HB1)  (resid 27 and name HG)  1.8 0.0 3.7
assign (resid 22 and name HB2)  (resid 19 and name HG*)  1.8 0.0 4.2
assign (resid 23 and name HB2)  (resid 19 and name HG*)  1.8 0.0 4.2
assign (resid 17 and name HB*)  (resid 13 and name HD*)  1.8 0.0 4.7
assign (resid 16 and name HG*)  (resid 13 and name HD*)  1.8 0.0 4.7
assign (resid 6 and name HB1)  (resid 7 and name HG)  1.8 0.0 3.7
assign (resid 6 and name HB1)  (resid 7 and name HB*)  1.8 0.0 4.2
assign (resid 22 and name HE*)  (resid 21 and name HB1)  1.8 0.0 4.2
assign (resid 23 and name HE*)  (resid 20 and name HB1)  1.8 0.0 4.2
assign (resid 22 and name HE*)  (resid 21 and name HB2)  1.8 0.0 4.2
assign (resid 22 and name HD*)  (resid 21 and name HB2)  1.8 0.0 4.2
assign (resid 22 and name HD*)  (resid 21 and name HB1)  1.8 0.0 4.2
assign (resid 14 and name HA)  (resid 15 and name HB)  1.8 0.0 3.7
assign (resid 5 and name HA)  (resid 4 and name HB2)  1.8 0.0 3.7
assign (resid 23 and name HA)  (resid 20 and name HB1)  1.8 0.0 3.7
assign (resid 29 and name HA)  (resid 30 and name HG2)  1.8 0.0 3.7
assign (resid 22 and name HB2)  (resid 21 and name HB2)  1.8 0.0 3.7
assign (resid 22 and name HB2)  (resid 21 and name HB1)  1.8 0.0 3.7
assign (resid 16 and name HG*)  (resid 15 and name HB)  1.8 0.0 4.2
assign (resid 17 and name HB*)  (resid 21 and name HB2)  1.8 0.0 4.2
assign (resid 7 and name HA)  (resid 10 and name HB2)  1.8 0.0 3.7
assign (resid 19 and name HD*)  (resid 16 and name HG*)  1.8 0.0 4.7
assign (resid 19 and name HD*)  (resid 17 and name HB*)  1.8 0.0 4.7
assign (resid 16 and name HA)  (resid 17 and name HB*)  1.8 0.0 4.2
assign (resid 20 and name HA)  (resid 22 and name HB2)  1.8 0.0 3.7
assign (resid 20 and name HA)  (resid 19 and name HD*)  1.8 0.0 4.2
assign (resid 17 and name HA)  (resid 19 and name HD*)  1.8 0.0 4.2
assign (resid 17 and name HA)  (resid 21 and name HD*)  1.8 0.0 4.2
assign (resid 22 and name HD*)  (resid 25 and name HB1)  1.8 0.0 4.2
assign (resid 22 and name HD*)  (resid 25 and name HB2)  1.8 0.0 4.2
assign (resid 23 and name HZ)  (resid 20 and name HA)  1.8 0.0 3.7
assign (resid 22 and name HD*)  (resid 18 and name HA)  1.8 0.0 4.2
assign (resid 22 and name HD*)  (resid 21 and name HA)  1.8 0.0 4.2
assign (resid 25 and name HA)  (resid 24 and name HA)  1.8 0.0 3.7
assign (resid 6 and name HA)  (resid 5 and name HA)  1.8 0.0 3.7
assign (resid 11 and name HA)  (resid 10 and name HA)  1.8 0.0 3.7
assign (resid 16 and name HA)  (resid 17 and name HA)  1.8 0.0 3.7
assign (resid 16 and name HA)  (resid 17 and name HA)  1.8 0.0 3.7
assign (resid 24 and name HA)  (resid 23 and name HA)  1.8 0.0 3.7
assign (resid 24 and name HA)  (resid 25 and name HA)  1.8 0.0 3.7
assign (resid 28 and name HA)  (resid 27 and name HA)  1.8 0.0 3.7
assign (resid 23 and name HN)  (resid 22 and name HD*)  1.8 0.0 4.2
assign (resid 26 and name HN)  (resid 25 and name HD2)  1.8 0.0 3.7
assign (resid 14 and name HN)  (resid 15 and name HN)  1.8 0.0 3.7
assign (resid 26 and name HN)  (resid 24 and name HN)  1.8 0.0 3.7
assign (resid 10 and name HN)  (resid 13 and name HG2)  1.8 0.0 3.7
assign (resid 23 and name HD*)  (resid 20 and name HB1)  1.8 0.0 4.2
assign (resid 9 and name HD2)  (resid 6 and name HA)  1.8 0.0 3.7
assign (resid 26 and name HD2)  (resid 27 and name HA)  1.8 0.0 3.7
assign (resid 23 and name HZ)  (resid 20 and name HD*)  1.8 0.0 4.2
assign (resid 22 and name HE*)  (resid 18 and name HB*)  1.8 0.0 4.7
assign (resid 21 and name HH2*)  (resid 18 and name HD1*)  1.8 0.0 5.2
assign (resid 19 and name HH2*)  (resid 15 and name HD*)  1.8 0.0 5.2
assign (resid 20 and name HH2*)  (resid 24 and name HD2*)  1.8 0.0 5.2
assign (resid 20 and name HH2*)  (resid 24 and name HD1*)  1.8 0.0 5.2
assign (resid 21 and name HA)  (resid 23 and name HB2)  1.8 0.0 3.7


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          2HT       ALA   1 -16.939   1.438  -7.591
    2   2H    ALA   1          1HT       ALA   1 -16.543   0.277  -8.766
    3   3H    ALA   1          3HT       ALA   1 -17.499   1.614  -9.185
    4    HA   ALA   1           HA       ALA   1 -19.326   0.845  -7.919
    5   1HB   ALA   1          1HB       ALA   1 -17.966  -1.291  -9.570
    6   2HB   ALA   1          3HB       ALA   1 -19.580  -1.512  -8.894
    7   3HB   ALA   1          2HB       ALA   1 -19.278  -0.216 -10.052
    8    H    VAL   2           H        VAL   2 -17.825   0.971  -5.761
    9    HA   VAL   2           HA       VAL   2 -16.688  -1.212  -4.525
   10    HB   VAL   2           HB       VAL   2 -16.804   0.873  -3.340
   11   1HG1  VAL   2          3HG1      VAL   2 -19.807   0.466  -3.440
   12   2HG1  VAL   2          2HG1      VAL   2 -19.007   1.724  -2.498
   13   3HG1  VAL   2          1HG1      VAL   2 -18.888   1.730  -4.258
   14   1HG2  VAL   2          1HG2      VAL   2 -18.524  -1.219  -1.968
   15   2HG2  VAL   2          3HG2      VAL   2 -16.765  -1.107  -1.895
   16   3HG2  VAL   2          2HG2      VAL   2 -17.761   0.147  -1.155
   17    H    SER   3           H        SER   3 -17.558  -2.877  -3.079
   18    HA   SER   3           HA       SER   3 -20.248  -3.799  -3.983
   19   1HB   SER   3          2HB       SER   3 -19.489  -5.959  -3.820
   20   2HB   SER   3          1HB       SER   3 -17.923  -5.177  -4.041
   21    HG   SER   3           HG       SER   3 -17.891  -6.530  -2.224
   22    H    GLU   4           H        GLU   4 -21.054  -5.426  -2.003
   23    HA   GLU   4           HA       GLU   4 -21.670  -3.545   0.161
   24   1HB   GLU   4          2HB       GLU   4 -23.302  -5.233  -0.865
   25   2HB   GLU   4          1HB       GLU   4 -22.427  -6.472   0.033
   26   1HG   GLU   4          2HG       GLU   4 -24.319  -5.755   1.372
   27   2HG   GLU   4          1HG       GLU   4 -22.842  -5.161   2.131
   28    H    HIS   5           H        HIS   5 -20.590  -6.953   0.305
   29    HA   HIS   5           HA       HIS   5 -19.630  -6.954   2.896
   30   1HB   HIS   5          2HB       HIS   5 -19.265  -8.570   0.564
   31   2HB   HIS   5          1HB       HIS   5 -17.748  -8.444   1.455
   32    HD1  HIS   5          1HD       HIS   5 -18.150  -8.794   4.210
   33    HD2  HIS   5          2HD       HIS   5 -20.903 -10.508   1.595
   34    HE1  HIS   5          1HE       HIS   5 -19.376 -10.573   5.532
   35    H    GLN   6           H        GLN   6 -18.143  -5.459   0.098
   36    HA   GLN   6           HA       GLN   6 -15.519  -5.153   0.984
   37   1HB   GLN   6          2HB       GLN   6 -17.270  -3.774  -0.840
   38   2HB   GLN   6          1HB       GLN   6 -16.234  -2.628   0.009
   39   1HG   GLN   6          2HG       GLN   6 -14.510  -4.709  -0.604
   40   2HG   GLN   6          1HG       GLN   6 -15.538  -4.605  -2.035
   41   1HE2  GLN   6          2HE2      GLN   6 -13.001  -2.139  -2.845
   42   2HE2  GLN   6          1HE2      GLN   6 -13.293  -3.817  -2.934
   43    H    LEU   7           H        LEU   7 -14.666  -2.933   1.987
   44    HA   LEU   7           HA       LEU   7 -14.704  -1.485   3.853
   45   1HB   LEU   7          2HB       LEU   7 -17.297  -1.315   2.835
   46   2HB   LEU   7          1HB       LEU   7 -17.549  -1.805   4.510
   47    HG   LEU   7           HG       LEU   7 -15.595   0.392   3.923
   48   1HD1  LEU   7          1HD1      LEU   7 -18.207   0.527   2.978
   49   2HD1  LEU   7          3HD1      LEU   7 -18.297   1.329   4.546
   50   3HD1  LEU   7          2HD1      LEU   7 -17.165   1.908   3.324
   51   1HD2  LEU   7          1HD2      LEU   7 -17.500  -0.292   6.184
   52   2HD2  LEU   7          3HD2      LEU   7 -15.743  -0.444   6.199
   53   3HD2  LEU   7          2HD2      LEU   7 -16.489   1.153   6.150
   54    H    LEU   8           H        LEU   8 -17.346  -3.854   4.535
   55    HA   LEU   8           HA       LEU   8 -16.313  -4.491   7.086
   56   1HB   LEU   8          2HB       LEU   8 -18.581  -5.016   6.742
   57   2HB   LEU   8          1HB       LEU   8 -18.236  -5.738   5.178
   58    HG   LEU   8           HG       LEU   8 -17.246  -7.655   6.149
   59   1HD1  LEU   8          1HD1      LEU   8 -16.743  -5.796   8.297
   60   2HD1  LEU   8          3HD1      LEU   8 -17.451  -7.279   8.938
   61   3HD1  LEU   8          2HD1      LEU   8 -15.971  -7.349   7.979
   62   1HD2  LEU   8          2HD2      LEU   8 -19.784  -7.416   6.330
   63   2HD2  LEU   8          1HD2      LEU   8 -19.051  -8.580   7.432
   64   3HD2  LEU   8          3HD2      LEU   8 -19.530  -6.988   8.021
   65    H    HIS   9           H        HIS   9 -15.889  -5.546   3.818
   66    HA   HIS   9           HA       HIS   9 -13.982  -7.634   4.558
   67   1HB   HIS   9          2HB       HIS   9 -15.634  -8.283   2.955
   68   2HB   HIS   9          1HB       HIS   9 -15.305  -6.878   1.941
   69    HD1  HIS   9          1HD       HIS   9 -14.062  -7.766  -0.087
   70    HD2  HIS   9          2HD       HIS   9 -12.861  -9.497   3.471
   71    HE1  HIS   9          1HE       HIS   9 -12.126  -9.297  -0.679
   72    H    ASP  10           H        ASP  10 -13.098  -5.050   5.111
   73    HA   ASP  10           HA       ASP  10 -11.818  -3.351   3.520
   74   1HB   ASP  10          2HB       ASP  10 -11.266  -3.364   5.849
   75   2HB   ASP  10          1HB       ASP  10 -10.501  -4.953   5.715
   76    H    LYS  11           H        LYS  11 -10.556  -6.673   3.935
   77    HA   LYS  11           HA       LYS  11  -8.299  -6.591   2.351
   78   1HB   LYS  11          2HB       LYS  11 -10.242  -8.637   3.096
   79   2HB   LYS  11          1HB       LYS  11  -9.528  -8.945   1.509
   80   1HG   LYS  11          2HG       LYS  11  -8.041  -8.489   4.112
   81   2HG   LYS  11          1HG       LYS  11  -8.120  -9.989   3.188
   82   1HD   LYS  11          2HD       LYS  11  -7.206  -8.304   1.267
   83   2HD   LYS  11          1HD       LYS  11  -6.502  -7.549   2.699
   84   1HE   LYS  11          2HE       LYS  11  -6.206 -10.459   1.895
   85   2HE   LYS  11          1HE       LYS  11  -4.955  -9.222   1.788
   86   1HZ   LYS  11          2HZ       LYS  11  -5.415  -8.914   4.278
   87   2HZ   LYS  11          1HZ       LYS  11  -6.142 -10.447   4.192
   88   3HZ   LYS  11          3HZ       LYS  11  -4.506 -10.263   3.786
   89    H    GLY  12           H        GLY  12  -8.463  -5.108   0.643
   90   1HA   GLY  12          2HA       GLY  12  -8.932  -5.805  -1.922
   91   2HA   GLY  12          1HA       GLY  12 -10.576  -5.455  -1.379
   92    H    LYS  13           H        LYS  13  -9.845  -3.336   0.458
   93    HA   LYS  13           HA       LYS  13  -9.915  -1.108  -1.262
   94   1HB   LYS  13          2HB       LYS  13  -8.926  -1.192   1.554
   95   2HB   LYS  13          1HB       LYS  13  -9.474   0.249   0.705
   96   1HG   LYS  13          2HG       LYS  13 -11.155  -2.193   1.359
   97   2HG   LYS  13          1HG       LYS  13 -11.270  -0.612   2.141
   98   1HD   LYS  13          2HD       LYS  13 -11.442  -0.065  -0.605
   99   2HD   LYS  13          1HD       LYS  13 -12.436  -1.503  -0.368
  100   1HE   LYS  13          2HE       LYS  13 -13.842  -0.426   1.184
  101   2HE   LYS  13          1HE       LYS  13 -12.667   0.851   1.498
  102   1HZ   LYS  13          3HZ       LYS  13 -12.984   1.582  -0.827
  103   2HZ   LYS  13          2HZ       LYS  13 -14.232   0.441  -0.990
  104   3HZ   LYS  13          1HZ       LYS  13 -14.387   1.722   0.116
  105    H    SER  14           H        SER  14  -7.956   0.651  -0.334
  106    HA   SER  14           HA       SER  14  -5.884  -0.107  -2.129
  107   1HB   SER  14          2HB       SER  14  -5.523   2.073  -0.109
  108   2HB   SER  14          1HB       SER  14  -4.901   1.959  -1.760
  109    HG   SER  14           HG       SER  14  -7.219   3.001  -0.873
  110    H    ILE  15           H        ILE  15  -5.835  -2.161  -0.774
  111    HA   ILE  15           HA       ILE  15  -3.529  -2.064   1.096
  112    HB   ILE  15           HB       ILE  15  -4.989  -4.559   1.032
  113   1HG1  ILE  15          2HG1      ILE  15  -6.911  -3.122   0.472
  114   2HG1  ILE  15          1HG1      ILE  15  -7.063  -3.725   2.112
  115   1HG2  ILE  15          2HG2      ILE  15  -4.305  -2.515   3.145
  116   2HG2  ILE  15          1HG2      ILE  15  -5.137  -4.025   3.517
  117   3HG2  ILE  15          3HG2      ILE  15  -3.508  -4.059   2.844
  118   1HD1  ILE  15          3HD1      ILE  15  -5.568  -1.384   2.381
  119   2HD1  ILE  15          2HD1      ILE  15  -6.805  -0.985   1.188
  120   3HD1  ILE  15          1HD1      ILE  15  -7.275  -1.581   2.782
  121    H    GLN  16           H        GLN  16  -5.301  -3.751  -1.401
  122    HA   GLN  16           HA       GLN  16  -3.138  -5.369  -2.394
  123   1HB   GLN  16          2HB       GLN  16  -5.488  -4.148  -3.890
  124   2HB   GLN  16          1HB       GLN  16  -4.556  -5.566  -4.387
  125   1HG   GLN  16          2HG       GLN  16  -5.631  -5.834  -1.680
  126   2HG   GLN  16          1HG       GLN  16  -6.900  -5.606  -2.883
  127   1HE2  GLN  16          2HE2      GLN  16  -5.081  -9.172  -2.637
  128   2HE2  GLN  16          1HE2      GLN  16  -4.898  -7.957  -1.466
  129    H    ASP  17           H        ASP  17  -4.305  -2.090  -2.646
  130    HA   ASP  17           HA       ASP  17  -2.383  -1.380  -4.762
  131   1HB   ASP  17          2HB       ASP  17  -4.841  -0.307  -3.824
  132   2HB   ASP  17          1HB       ASP  17  -3.603   0.909  -3.514
  133    H    LEU  18           H        LEU  18  -2.888  -0.723  -1.259
  134    HA   LEU  18           HA       LEU  18  -0.700   1.024  -0.853
  135   1HB   LEU  18          2HB       LEU  18  -2.301  -0.722   0.799
  136   2HB   LEU  18          1HB       LEU  18  -0.607  -0.910   1.238
  137    HG   LEU  18           HG       LEU  18  -1.762   0.914   2.512
  138   1HD1  LEU  18          2HD1      LEU  18   0.737   0.861   1.874
  139   2HD1  LEU  18          1HD1      LEU  18   0.326   2.080   0.668
  140   3HD1  LEU  18          3HD1      LEU  18   0.069   2.413   2.380
  141   1HD2  LEU  18          1HD2      LEU  18  -2.495   1.662  -0.215
  142   2HD2  LEU  18          3HD2      LEU  18  -3.189   2.198   1.314
  143   3HD2  LEU  18          2HD2      LEU  18  -1.762   3.004   0.662
  144    H    ARG  19           H        ARG  19  -0.911  -2.325  -1.648
  145    HA   ARG  19           HA       ARG  19   1.786  -3.133  -1.124
  146   1HB   ARG  19          2HB       ARG  19   0.372  -4.940  -1.449
  147   2HB   ARG  19          1HB       ARG  19  -0.620  -4.075  -2.607
  148   1HG   ARG  19          2HG       ARG  19   1.289  -4.282  -4.259
  149   2HG   ARG  19          1HG       ARG  19   2.057  -5.387  -3.117
  150   1HD   ARG  19          2HD       ARG  19   0.095  -5.990  -5.058
  151   2HD   ARG  19          1HD       ARG  19   0.757  -7.074  -3.841
  152    HE   ARG  19           HE       ARG  19  -1.808  -5.608  -3.652
  153   1HH1  ARG  19          1HH1      ARG  19   0.619  -6.768  -1.621
  154   2HH1  ARG  19          2HH1      ARG  19  -0.425  -7.767  -0.666
  155   1HH2  ARG  19          1HH2      ARG  19  -3.186  -7.298  -2.708
  156   2HH2  ARG  19          2HH2      ARG  19  -2.576  -8.070  -1.281
  157    H    ARG  20           H        ARG  20   0.069  -2.009  -4.046
  158    HA   ARG  20           HA       ARG  20   2.416  -1.989  -5.682
  159   1HB   ARG  20          2HB       ARG  20   1.076  -1.087  -7.351
  160   2HB   ARG  20          1HB       ARG  20  -0.095  -1.926  -6.332
  161   1HG   ARG  20          2HG       ARG  20  -1.205   0.012  -6.061
  162   2HG   ARG  20          1HG       ARG  20   0.211   0.699  -5.265
  163   1HD   ARG  20          2HD       ARG  20   0.353   2.110  -7.025
  164   2HD   ARG  20          1HD       ARG  20   0.900   0.715  -7.959
  165    HE   ARG  20           HE       ARG  20  -1.788   0.443  -8.167
  166   1HH1  ARG  20          1HH1      ARG  20  -2.512   3.149  -7.579
  167   2HH1  ARG  20          2HH1      ARG  20  -2.297   3.995  -9.075
  168   1HH2  ARG  20          1HH2      ARG  20  -0.294   1.535 -10.482
  169   2HH2  ARG  20          2HH2      ARG  20  -1.040   3.081 -10.722
  170    H    ARG  21           H        ARG  21   1.471  -0.032  -3.115
  171    HA   ARG  21           HA       ARG  21   2.867   2.388  -4.027
  172   1HB   ARG  21          2HB       ARG  21   1.191   1.635  -1.794
  173   2HB   ARG  21          1HB       ARG  21   2.714   2.288  -1.176
  174   1HG   ARG  21          2HG       ARG  21   1.260   4.166  -1.454
  175   2HG   ARG  21          1HG       ARG  21   2.386   4.224  -2.811
  176   1HD   ARG  21          2HD       ARG  21   0.339   4.523  -3.891
  177   2HD   ARG  21          1HD       ARG  21   0.557   2.778  -4.025
  178    HE   ARG  21           HE       ARG  21  -0.975   2.583  -2.028
  179   1HH1  ARG  21          1HH1      ARG  21  -2.469   3.950  -0.795
  180   2HH1  ARG  21          2HH1      ARG  21  -3.342   5.140  -1.701
  181   1HH2  ARG  21          1HH2      ARG  21  -1.398   4.779  -4.551
  182   2HH2  ARG  21          2HH2      ARG  21  -2.735   5.612  -3.828
  183    H    PHE  22           H        PHE  22   3.407  -0.565  -2.305
  184    HA   PHE  22           HA       PHE  22   6.200   0.121  -1.689
  185   1HB   PHE  22          2HB       PHE  22   4.643  -2.382  -1.175
  186   2HB   PHE  22          1HB       PHE  22   6.243  -2.016  -0.528
  187    HD1  PHE  22          1HD       PHE  22   6.142   0.720   0.175
  188    HD2  PHE  22          2HD       PHE  22   3.064  -2.249   0.502
  189    HE1  PHE  22          1HE       PHE  22   5.048   2.053   1.943
  190    HE2  PHE  22          2HE       PHE  22   1.973  -0.919   2.278
  191    HZ   PHE  22           HZ       PHE  22   2.977   1.220   2.963
  192    H    PHE  23           H        PHE  23   4.211  -1.532  -3.964
  193    HA   PHE  23           HA       PHE  23   5.284  -3.534  -5.267
  194   1HB   PHE  23          2HB       PHE  23   4.136  -1.109  -6.224
  195   2HB   PHE  23          1HB       PHE  23   5.447  -1.549  -7.304
  196    HD1  PHE  23          1HD       PHE  23   4.059  -2.058  -9.143
  197    HD2  PHE  23          2HD       PHE  23   3.524  -4.030  -5.366
  198    HE1  PHE  23          1HE       PHE  23   2.572  -3.712 -10.217
  199    HE2  PHE  23          2HE       PHE  23   2.042  -5.689  -6.448
  200    HZ   PHE  23           HZ       PHE  23   1.579  -5.495  -8.858
  201    H    LEU  24           H        LEU  24   6.771  -0.484  -6.323
  202    HA   LEU  24           HA       LEU  24   9.262  -1.823  -6.978
  203   1HB   LEU  24          2HB       LEU  24   8.147   0.914  -7.188
  204   2HB   LEU  24          1HB       LEU  24   9.897   0.832  -6.983
  205    HG   LEU  24           HG       LEU  24  10.170  -0.501  -8.937
  206   1HD1  LEU  24          1HD1      LEU  24   7.167  -0.856  -8.784
  207   2HD1  LEU  24          3HD1      LEU  24   8.105  -1.279 -10.216
  208   3HD1  LEU  24          2HD1      LEU  24   8.408  -2.105  -8.688
  209   1HD2  LEU  24          2HD2      LEU  24   9.180   2.022  -9.074
  210   2HD2  LEU  24          1HD2      LEU  24   9.646   1.091 -10.496
  211   3HD2  LEU  24          3HD2      LEU  24   7.953   1.160 -10.004
  212    H    HIS  25           H        HIS  25   8.061   0.155  -4.292
  213    HA   HIS  25           HA       HIS  25  10.531   0.639  -2.976
  214   1HB   HIS  25          2HB       HIS  25   7.988   1.283  -2.409
  215   2HB   HIS  25          1HB       HIS  25   8.161  -0.092  -1.313
  216    HD1  HIS  25          1HD       HIS  25   9.719   3.282  -2.074
  217    HD2  HIS  25          2HD       HIS  25   9.753   0.402   0.939
  218    HE1  HIS  25          1HE       HIS  25  10.976   4.300  -0.125
  219    H    HIS  26           H        HIS  26   8.538  -2.259  -3.144
  220    HA   HIS  26           HA       HIS  26   9.995  -3.683  -1.091
  221   1HB   HIS  26          2HB       HIS  26   7.557  -4.010  -2.207
  222   2HB   HIS  26          1HB       HIS  26   8.504  -5.220  -3.077
  223    HD1  HIS  26          1HD       HIS  26   8.867  -4.084   0.512
  224    HD2  HIS  26          2HD       HIS  26   8.029  -7.544  -1.650
  225    HE1  HIS  26          1HE       HIS  26   8.830  -5.968   2.182
  226    H    LEU  27           H        LEU  27   9.725  -4.092  -4.625
  227    HA   LEU  27           HA       LEU  27  11.937  -5.957  -4.733
  228   1HB   LEU  27          2HB       LEU  27  10.850  -4.329  -7.039
  229   2HB   LEU  27          1HB       LEU  27  11.645  -5.900  -7.106
  230    HG   LEU  27           HG       LEU  27   9.039  -5.456  -5.636
  231   1HD1  LEU  27          3HD1      LEU  27   9.455  -5.345  -8.428
  232   2HD1  LEU  27          2HD1      LEU  27   8.786  -6.943  -8.097
  233   3HD1  LEU  27          1HD1      LEU  27   7.914  -5.498  -7.583
  234   1HD2  LEU  27          2HD2      LEU  27  10.481  -7.450  -5.083
  235   2HD2  LEU  27          1HD2      LEU  27   8.893  -7.873  -5.723
  236   3HD2  LEU  27          3HD2      LEU  27  10.315  -7.966  -6.761
  237    H    ILE  28           H        ILE  28  11.843  -2.632  -4.275
  238    HA   ILE  28           HA       ILE  28  14.724  -2.446  -4.925
  239    HB   ILE  28           HB       ILE  28  12.645  -0.532  -6.033
  240   1HG1  ILE  28          2HG1      ILE  28  12.964  -2.732  -7.234
  241   2HG1  ILE  28          1HG1      ILE  28  13.383  -1.318  -8.202
  242   1HG2  ILE  28          3HG2      ILE  28  15.542  -0.309  -5.526
  243   2HG2  ILE  28          2HG2      ILE  28  15.057   0.116  -7.167
  244   3HG2  ILE  28          1HG2      ILE  28  14.346   0.960  -5.790
  245   1HD1  ILE  28          3HD1      ILE  28  15.782  -1.639  -7.445
  246   2HD1  ILE  28          2HD1      ILE  28  15.280  -3.183  -6.759
  247   3HD1  ILE  28          1HD1      ILE  28  15.160  -2.911  -8.496
  248    H    ALA  29           H        ALA  29  13.972  -2.594  -2.392
  249    HA   ALA  29           HA       ALA  29  14.935  -0.390  -1.060
  250   1HB   ALA  29          1HB       ALA  29  12.309   0.177  -2.150
  251   2HB   ALA  29          3HB       ALA  29  12.283   0.279  -0.389
  252   3HB   ALA  29          2HB       ALA  29  13.420   1.262  -1.314
  253    H    GLU  30           H        GLU  30  15.552  -2.074   0.363
  254    HA   GLU  30           HA       GLU  30  13.966  -2.555   2.631
  255   1HB   GLU  30          2HB       GLU  30  13.502  -5.078   2.094
  256   2HB   GLU  30          1HB       GLU  30  12.380  -3.849   1.498
  257   1HG   GLU  30          2HG       GLU  30  13.210  -3.977  -0.697
  258   2HG   GLU  30          1HG       GLU  30  14.731  -4.715  -0.179
  259    H    ILE  31           H        ILE  31  15.792  -2.613   3.884
  260    HA   ILE  31           HA       ILE  31  17.781  -4.762   3.263
  261    HB   ILE  31           HB       ILE  31  18.771  -2.497   4.863
  262   1HG1  ILE  31          2HG1      ILE  31  17.252  -1.384   3.153
  263   2HG1  ILE  31          1HG1      ILE  31  18.950  -0.914   3.052
  264   1HG2  ILE  31          3HG2      ILE  31  20.150  -4.381   3.999
  265   2HG2  ILE  31          2HG2      ILE  31  19.795  -3.856   2.353
  266   3HG2  ILE  31          1HG2      ILE  31  20.725  -2.815   3.431
  267   1HD1  ILE  31          2HD1      ILE  31  17.913  -3.220   1.418
  268   2HD1  ILE  31          1HD1      ILE  31  17.708  -1.561   0.853
  269   3HD1  ILE  31          3HD1      ILE  31  19.326  -2.205   1.128
  270    H    HIS  32           H        HIS  32  17.378  -6.304   4.776
  271    HA   HIS  32           HA       HIS  32  16.124  -5.889   7.269
  272   1HB   HIS  32          2HB       HIS  32  17.934  -8.097   6.274
  273   2HB   HIS  32          1HB       HIS  32  17.155  -8.146   7.860
  274    HD1  HIS  32          1HD       HIS  32  15.146  -6.474   5.276
  275    HD2  HIS  32          2HD       HIS  32  15.588 -10.366   6.702
  276    HE1  HIS  32          1HE       HIS  32  13.151  -7.780   4.423
  277    H    THR  33           H        THR  33  17.173  -4.102   8.303
  278    HA   THR  33           HA       THR  33  18.875  -3.017   9.530
  279    HB   THR  33           HB       THR  33  20.019  -5.055  10.993
  280    HG1  THR  33          1HG       THR  33  18.729  -6.725  11.006
  281   1HG2  THR  33          2HG2      THR  33  18.648  -2.944  11.631
  282   2HG2  THR  33          1HG2      THR  33  17.255  -4.025  11.606
  283   3HG2  THR  33          3HG2      THR  33  18.590  -4.331  12.718
  284    H    ALA  34           H        ALA  34  19.880  -3.247   7.073
  285    HA   ALA  34           HA       ALA  34  21.883  -3.398   5.861
  286   1HB   ALA  34          1HB       ALA  34  22.569  -2.750   8.556
  287   2HB   ALA  34          3HB       ALA  34  23.753  -3.917   7.968
  288   3HB   ALA  34          2HB       ALA  34  23.489  -2.409   7.090
   
  No H/Q in entry =         288
  Start of MODEL    2
    1   1H    ALA   1          3HT       ALA   1 -20.355   4.776  12.751
    2   2H    ALA   1          2HT       ALA   1 -21.782   4.885  13.665
    3   3H    ALA   1          1HT       ALA   1 -20.665   6.164  13.675
    4    HA   ALA   1           HA       ALA   1 -19.208   5.104  15.053
    5   1HB   ALA   1          3HB       ALA   1 -22.012   4.769  15.688
    6   2HB   ALA   1          2HB       ALA   1 -21.069   3.445  16.372
    7   3HB   ALA   1          1HB       ALA   1 -20.665   5.114  16.772
    8    H    VAL   2           H        VAL   2 -21.144   2.869  13.161
    9    HA   VAL   2           HA       VAL   2 -20.284   0.371  13.921
   10    HB   VAL   2           HB       VAL   2 -21.749   0.679  11.995
   11   1HG1  VAL   2          1HG1      VAL   2 -19.797   2.560  11.228
   12   2HG1  VAL   2          3HG1      VAL   2 -19.739   1.293  10.003
   13   3HG1  VAL   2          2HG1      VAL   2 -21.257   2.126  10.339
   14   1HG2  VAL   2          1HG2      VAL   2 -20.093  -1.327  12.225
   15   2HG2  VAL   2          3HG2      VAL   2 -20.922  -1.092  10.685
   16   3HG2  VAL   2          2HG2      VAL   2 -19.248  -0.572  10.875
   17    H    SER   3           H        SER   3 -18.425  -0.945  13.454
   18    HA   SER   3           HA       SER   3 -15.912   0.231  13.796
   19   1HB   SER   3          2HB       SER   3 -14.980  -1.873  13.321
   20   2HB   SER   3          1HB       SER   3 -16.622  -2.283  13.823
   21    HG   SER   3           HG       SER   3 -15.633  -3.111  11.699
   22    H    GLU   4           H        GLU   4 -14.394   1.141  12.426
   23    HA   GLU   4           HA       GLU   4 -15.320   1.871   9.732
   24   1HB   GLU   4          2HB       GLU   4 -14.064   3.418  11.355
   25   2HB   GLU   4          1HB       GLU   4 -12.622   2.494  10.942
   26   1HG   GLU   4          2HG       GLU   4 -12.431   3.506   8.933
   27   2HG   GLU   4          1HG       GLU   4 -14.143   3.278   8.575
   28    H    HIS   5           H        HIS   5 -12.758  -0.085  11.211
   29    HA   HIS   5           HA       HIS   5 -11.174  -0.729   9.064
   30   1HB   HIS   5          2HB       HIS   5 -11.873  -1.989  11.538
   31   2HB   HIS   5          1HB       HIS   5 -11.662  -3.201  10.274
   32    HD1  HIS   5          1HD       HIS   5  -9.312  -3.182   9.018
   33    HD2  HIS   5          2HD       HIS   5  -9.540  -0.760  12.399
   34    HE1  HIS   5          1HE       HIS   5  -6.926  -2.580   9.629
   35    H    GLN   6           H        GLN   6 -14.418  -2.007   9.712
   36    HA   GLN   6           HA       GLN   6 -14.614  -4.000   7.810
   37   1HB   GLN   6          2HB       GLN   6 -16.462  -2.170   9.063
   38   2HB   GLN   6          1HB       GLN   6 -16.967  -2.593   7.432
   39   1HG   GLN   6          2HG       GLN   6 -16.022  -4.753   9.288
   40   2HG   GLN   6          1HG       GLN   6 -17.665  -4.130   9.454
   41   1HE2  GLN   6          2HE2      GLN   6 -18.605  -5.275   6.111
   42   2HE2  GLN   6          1HE2      GLN   6 -18.791  -3.906   7.111
   43    H    LEU   7           H        LEU   7 -15.393  -3.923   5.540
   44    HA   LEU   7           HA       LEU   7 -15.433  -3.003   3.364
   45   1HB   LEU   7          2HB       LEU   7 -16.059  -0.840   4.947
   46   2HB   LEU   7          1HB       LEU   7 -14.596  -0.289   4.130
   47    HG   LEU   7           HG       LEU   7 -16.740  -1.645   2.529
   48   1HD1  LEU   7          2HD1      LEU   7 -16.731   1.264   3.390
   49   2HD1  LEU   7          1HD1      LEU   7 -17.771   0.589   2.136
   50   3HD1  LEU   7          3HD1      LEU   7 -17.947   0.057   3.809
   51   1HD2  LEU   7          2HD2      LEU   7 -14.371   0.095   2.109
   52   2HD2  LEU   7          1HD2      LEU   7 -15.026  -1.181   1.082
   53   3HD2  LEU   7          3HD2      LEU   7 -15.754   0.426   1.065
   54    H    LEU   8           H        LEU   8 -12.838  -1.561   5.417
   55    HA   LEU   8           HA       LEU   8 -10.962  -1.335   3.346
   56   1HB   LEU   8          2HB       LEU   8 -10.622  -0.080   5.313
   57   2HB   LEU   8          1HB       LEU   8 -10.765  -1.520   6.314
   58    HG   LEU   8           HG       LEU   8  -8.715  -2.409   5.454
   59   1HD1  LEU   8          3HD1      LEU   8  -9.309  -0.527   3.347
   60   2HD1  LEU   8          2HD1      LEU   8  -7.650  -0.304   3.911
   61   3HD1  LEU   8          1HD1      LEU   8  -8.180  -1.881   3.327
   62   1HD2  LEU   8          1HD2      LEU   8  -8.663   0.469   6.341
   63   2HD2  LEU   8          3HD2      LEU   8  -8.232  -0.971   7.261
   64   3HD2  LEU   8          2HD2      LEU   8  -7.158  -0.382   5.993
   65    H    HIS   9           H        HIS   9 -12.248  -4.101   4.790
   66    HA   HIS   9           HA       HIS   9  -9.878  -5.720   4.695
   67   1HB   HIS   9          2HB       HIS   9 -12.783  -6.439   4.925
   68   2HB   HIS   9          1HB       HIS   9 -11.468  -7.612   5.112
   69    HD1  HIS   9          1HD       HIS   9 -11.548  -7.980   7.672
   70    HD2  HIS   9          2HD       HIS   9 -11.587  -4.021   6.486
   71    HE1  HIS   9          1HE       HIS   9 -11.321  -6.620   9.806
   72    H    ASP  10           H        ASP  10 -12.642  -5.083   2.804
   73    HA   ASP  10           HA       ASP  10 -12.759  -6.843   0.756
   74   1HB   ASP  10          2HB       ASP  10 -14.140  -4.935   0.851
   75   2HB   ASP  10          1HB       ASP  10 -12.763  -3.838   0.811
   76    H    LYS  11           H        LYS  11 -10.696  -7.841   0.274
   77    HA   LYS  11           HA       LYS  11  -8.278  -6.581  -0.261
   78   1HB   LYS  11          2HB       LYS  11  -9.547  -9.111  -1.128
   79   2HB   LYS  11          1HB       LYS  11  -8.243  -8.529  -2.169
   80   1HG   LYS  11          2HG       LYS  11  -8.083  -8.999   0.824
   81   2HG   LYS  11          1HG       LYS  11  -7.297  -9.959  -0.430
   82   1HD   LYS  11          2HD       LYS  11  -5.524  -8.574  -0.286
   83   2HD   LYS  11          1HD       LYS  11  -6.541  -7.289  -0.937
   84   1HE   LYS  11          2HE       LYS  11  -6.004  -6.284   1.051
   85   2HE   LYS  11          1HE       LYS  11  -7.373  -7.235   1.624
   86   1HZ   LYS  11          2HZ       LYS  11  -5.756  -9.022   2.163
   87   2HZ   LYS  11          1HZ       LYS  11  -4.497  -7.941   1.799
   88   3HZ   LYS  11          3HZ       LYS  11  -5.555  -7.609   3.084
   89    H    GLY  12           H        GLY  12  -8.039  -4.811  -1.507
   90   1HA   GLY  12          2HA       GLY  12  -7.952  -4.521  -4.169
   91   2HA   GLY  12          1HA       GLY  12  -9.698  -4.430  -3.919
   92    H    LYS  13           H        LYS  13  -9.555  -3.133  -1.348
   93    HA   LYS  13           HA       LYS  13  -9.566  -0.423  -2.063
   94   1HB   LYS  13          2HB       LYS  13  -8.880  -1.409   0.662
   95   2HB   LYS  13          1HB       LYS  13  -9.751   0.062   0.242
   96   1HG   LYS  13          2HG       LYS  13 -10.717  -2.800   0.060
   97   2HG   LYS  13          1HG       LYS  13 -11.437  -1.467   0.962
   98   1HD   LYS  13          2HD       LYS  13 -11.381  -0.500  -1.635
   99   2HD   LYS  13          1HD       LYS  13 -11.773  -2.206  -1.856
  100   1HE   LYS  13          2HE       LYS  13 -13.408  -1.649   0.217
  101   2HE   LYS  13          1HE       LYS  13 -13.350  -0.056  -0.540
  102   1HZ   LYS  13          2HZ       LYS  13 -13.927  -1.120  -2.658
  103   2HZ   LYS  13          1HZ       LYS  13 -14.081  -2.612  -1.861
  104   3HZ   LYS  13          3HZ       LYS  13 -15.133  -1.337  -1.481
  105    H    SER  14           H        SER  14  -7.949   0.977  -0.329
  106    HA   SER  14           HA       SER  14  -5.478   0.816  -1.764
  107   1HB   SER  14          2HB       SER  14  -5.622   2.371   0.754
  108   2HB   SER  14          1HB       SER  14  -4.891   2.768  -0.803
  109    HG   SER  14           HG       SER  14  -6.723   3.978  -0.683
  110    H    ILE  15           H        ILE  15  -5.413  -1.440  -1.132
  111    HA   ILE  15           HA       ILE  15  -3.351  -1.867   0.897
  112    HB   ILE  15           HB       ILE  15  -5.022  -4.117   1.015
  113   1HG1  ILE  15          2HG1      ILE  15  -6.997  -2.761   2.181
  114   2HG1  ILE  15          1HG1      ILE  15  -6.564  -1.561   0.987
  115   1HG2  ILE  15          2HG2      ILE  15  -4.011  -2.017   2.819
  116   2HG2  ILE  15          1HG2      ILE  15  -5.412  -2.909   3.413
  117   3HG2  ILE  15          3HG2      ILE  15  -3.934  -3.772   2.984
  118   1HD1  ILE  15          2HD1      ILE  15  -6.773  -4.349   0.009
  119   2HD1  ILE  15          1HD1      ILE  15  -8.287  -3.586   0.493
  120   3HD1  ILE  15          3HD1      ILE  15  -7.287  -2.848  -0.754
  121    H    GLN  16           H        GLN  16  -5.577  -3.187  -1.393
  122    HA   GLN  16           HA       GLN  16  -3.985  -5.174  -2.626
  123   1HB   GLN  16          2HB       GLN  16  -6.349  -4.918  -3.153
  124   2HB   GLN  16          1HB       GLN  16  -6.099  -3.217  -3.585
  125   1HG   GLN  16          2HG       GLN  16  -5.623  -3.796  -5.691
  126   2HG   GLN  16          1HG       GLN  16  -4.310  -4.831  -5.129
  127   1HE2  GLN  16          2HE2      GLN  16  -6.917  -7.574  -4.739
  128   2HE2  GLN  16          1HE2      GLN  16  -6.030  -6.674  -3.603
  129    H    ASP  17           H        ASP  17  -4.156  -1.724  -2.663
  130    HA   ASP  17           HA       ASP  17  -2.114  -1.477  -4.806
  131   1HB   ASP  17          2HB       ASP  17  -4.372   0.110  -3.943
  132   2HB   ASP  17          1HB       ASP  17  -2.899   1.072  -3.819
  133    H    LEU  18           H        LEU  18  -2.738  -0.822  -1.369
  134    HA   LEU  18           HA       LEU  18  -0.405   0.636  -0.725
  135   1HB   LEU  18          2HB       LEU  18  -2.311  -0.233   0.840
  136   2HB   LEU  18          1HB       LEU  18  -1.325  -1.692   0.965
  137    HG   LEU  18           HG       LEU  18   0.556  -0.413   1.802
  138   1HD1  LEU  18          1HD1      LEU  18  -1.164   1.889   0.960
  139   2HD1  LEU  18          3HD1      LEU  18  -0.070   2.111   2.327
  140   3HD1  LEU  18          2HD1      LEU  18   0.571   1.653   0.749
  141   1HD2  LEU  18          2HD2      LEU  18  -2.052   0.342   3.150
  142   2HD2  LEU  18          1HD2      LEU  18  -1.091  -1.103   3.465
  143   3HD2  LEU  18          3HD2      LEU  18  -0.462   0.486   3.898
  144    H    ARG  19           H        ARG  19  -0.955  -2.620  -1.718
  145    HA   ARG  19           HA       ARG  19   1.653  -3.726  -1.123
  146   1HB   ARG  19          2HB       ARG  19   0.012  -5.365  -1.486
  147   2HB   ARG  19          1HB       ARG  19  -0.784  -4.421  -2.734
  148   1HG   ARG  19          2HG       ARG  19   1.180  -4.859  -4.239
  149   2HG   ARG  19          1HG       ARG  19   1.804  -5.973  -3.019
  150   1HD   ARG  19          2HD       ARG  19  -0.540  -6.248  -4.836
  151   2HD   ARG  19          1HD       ARG  19   0.594  -7.477  -4.277
  152    HE   ARG  19           HE       ARG  19  -1.834  -6.580  -2.846
  153   1HH1  ARG  19          1HH1      ARG  19   1.121  -7.326  -1.654
  154   2HH1  ARG  19          2HH1      ARG  19   0.677  -8.818  -0.897
  155   1HH2  ARG  19          1HH2      ARG  19  -2.435  -8.970  -2.419
  156   2HH2  ARG  19          2HH2      ARG  19  -1.336  -9.749  -1.330
  157    H    ARG  20           H        ARG  20   0.098  -2.241  -3.945
  158    HA   ARG  20           HA       ARG  20   2.549  -2.436  -5.491
  159   1HB   ARG  20          2HB       ARG  20   1.332  -1.632  -7.287
  160   2HB   ARG  20          1HB       ARG  20   0.072  -2.379  -6.309
  161   1HG   ARG  20          2HG       ARG  20  -0.921  -0.381  -5.839
  162   2HG   ARG  20          1HG       ARG  20   0.614   0.475  -5.697
  163   1HD   ARG  20          2HD       ARG  20   0.078   1.361  -7.716
  164   2HD   ARG  20          1HD       ARG  20   0.609  -0.198  -8.351
  165    HE   ARG  20           HE       ARG  20  -2.127  -0.437  -7.615
  166   1HH1  ARG  20          1HH1      ARG  20  -3.777  -0.013  -9.119
  167   2HH1  ARG  20          2HH1      ARG  20  -3.358   0.609 -10.680
  168   1HH2  ARG  20          1HH2      ARG  20   0.020   0.885  -9.962
  169   2HH2  ARG  20          2HH2      ARG  20  -1.213   1.116 -11.156
  170    H    ARG  21           H        ARG  21   1.137  -0.228  -3.255
  171    HA   ARG  21           HA       ARG  21   2.658   2.106  -3.998
  172   1HB   ARG  21          2HB       ARG  21   1.064   1.193  -1.692
  173   2HB   ARG  21          1HB       ARG  21   2.456   2.166  -1.217
  174   1HG   ARG  21          2HG       ARG  21   0.882   3.832  -1.596
  175   2HG   ARG  21          1HG       ARG  21   1.635   3.729  -3.188
  176   1HD   ARG  21          2HD       ARG  21  -0.677   3.647  -3.662
  177   2HD   ARG  21          1HD       ARG  21  -0.181   1.956  -3.710
  178    HE   ARG  21           HE       ARG  21  -1.542   1.573  -1.823
  179   1HH1  ARG  21          1HH1      ARG  21  -3.502   3.546  -2.282
  180   2HH1  ARG  21          2HH1      ARG  21  -3.358   4.662  -0.965
  181   1HH2  ARG  21          1HH2      ARG  21  -0.175   3.606  -0.075
  182   2HH2  ARG  21          2HH2      ARG  21  -1.472   4.699   0.281
  183    H    PHE  22           H        PHE  22   3.209  -0.894  -2.335
  184    HA   PHE  22           HA       PHE  22   5.962  -0.189  -1.600
  185   1HB   PHE  22          2HB       PHE  22   4.454  -2.740  -1.244
  186   2HB   PHE  22          1HB       PHE  22   6.033  -2.380  -0.550
  187    HD1  PHE  22          1HD       PHE  22   3.062  -2.897   0.626
  188    HD2  PHE  22          2HD       PHE  22   5.651   0.480   0.086
  189    HE1  PHE  22          1HE       PHE  22   1.900  -1.706   2.452
  190    HE2  PHE  22          2HE       PHE  22   4.493   1.664   1.911
  191    HZ   PHE  22           HZ       PHE  22   2.631   0.563   3.059
  192    H    PHE  23           H        PHE  23   4.104  -1.987  -3.931
  193    HA   PHE  23           HA       PHE  23   5.459  -3.883  -5.170
  194   1HB   PHE  23          2HB       PHE  23   4.020  -1.625  -6.263
  195   2HB   PHE  23          1HB       PHE  23   5.304  -2.126  -7.347
  196    HD1  PHE  23          1HD       PHE  23   3.691  -4.465  -5.027
  197    HD2  PHE  23          2HD       PHE  23   3.814  -2.911  -9.025
  198    HE1  PHE  23          1HE       PHE  23   2.254  -6.328  -5.801
  199    HE2  PHE  23          2HE       PHE  23   2.384  -4.772  -9.796
  200    HZ   PHE  23           HZ       PHE  23   1.617  -6.444  -8.177
  201    H    LEU  24           H        LEU  24   6.424  -0.648  -6.299
  202    HA   LEU  24           HA       LEU  24   9.027  -1.520  -7.150
  203   1HB   LEU  24          2HB       LEU  24   8.153   1.310  -6.491
  204   2HB   LEU  24          1HB       LEU  24   9.478   0.831  -7.552
  205    HG   LEU  24           HG       LEU  24   7.148  -0.517  -8.467
  206   1HD1  LEU  24          2HD1      LEU  24   6.729   2.356  -7.674
  207   2HD1  LEU  24          1HD1      LEU  24   5.896   1.695  -9.080
  208   3HD1  LEU  24          3HD1      LEU  24   5.636   0.986  -7.485
  209   1HD2  LEU  24          2HD2      LEU  24   9.318   0.734  -9.531
  210   2HD2  LEU  24          1HD2      LEU  24   7.900   0.279 -10.477
  211   3HD2  LEU  24          3HD2      LEU  24   8.066   1.928  -9.874
  212    H    HIS  25           H        HIS  25   7.832   0.080  -4.210
  213    HA   HIS  25           HA       HIS  25  10.314   0.692  -3.007
  214   1HB   HIS  25          2HB       HIS  25   7.573   0.533  -2.186
  215   2HB   HIS  25          1HB       HIS  25   8.569  -0.268  -0.968
  216    HD1  HIS  25          1HD       HIS  25   9.247   1.358   0.789
  217    HD2  HIS  25          2HD       HIS  25   9.124   3.142  -2.975
  218    HE1  HIS  25          1HE       HIS  25   9.974   3.763   1.113
  219    H    HIS  26           H        HIS  26   8.445  -2.344  -2.880
  220    HA   HIS  26           HA       HIS  26  10.175  -3.772  -1.161
  221   1HB   HIS  26          2HB       HIS  26   7.851  -4.403  -2.184
  222   2HB   HIS  26          1HB       HIS  26   8.861  -5.157  -3.418
  223    HD1  HIS  26          1HD       HIS  26   9.476  -4.873   0.297
  224    HD2  HIS  26          2HD       HIS  26   9.017  -7.809  -2.621
  225    HE1  HIS  26          1HE       HIS  26   9.997  -7.064   1.416
  226    H    LEU  27           H        LEU  27  10.250  -3.404  -4.692
  227    HA   LEU  27           HA       LEU  27  12.498  -5.198  -5.025
  228   1HB   LEU  27          2HB       LEU  27  11.353  -3.077  -6.857
  229   2HB   LEU  27          1HB       LEU  27  12.565  -4.266  -7.330
  230    HG   LEU  27           HG       LEU  27   9.752  -4.840  -6.363
  231   1HD1  LEU  27          2HD1      LEU  27  10.579  -4.143  -8.871
  232   2HD1  LEU  27          1HD1      LEU  27  10.778  -5.894  -8.932
  233   3HD1  LEU  27          3HD1      LEU  27   9.204  -5.200  -8.551
  234   1HD2  LEU  27          3HD2      LEU  27  12.194  -6.529  -6.639
  235   2HD2  LEU  27          2HD2      LEU  27  10.832  -6.698  -5.531
  236   3HD2  LEU  27          1HD2      LEU  27  10.676  -7.225  -7.206
  237    H    ILE  28           H        ILE  28  12.414  -2.250  -3.545
  238    HA   ILE  28           HA       ILE  28  15.252  -1.722  -4.326
  239    HB   ILE  28           HB       ILE  28  13.668  -0.032  -5.300
  240   1HG1  ILE  28          2HG1      ILE  28  14.909   1.956  -4.097
  241   2HG1  ILE  28          1HG1      ILE  28  15.806   0.661  -3.304
  242   1HG2  ILE  28          3HG2      ILE  28  13.142   0.455  -2.357
  243   2HG2  ILE  28          2HG2      ILE  28  12.748   1.627  -3.614
  244   3HG2  ILE  28          1HG2      ILE  28  11.963   0.048  -3.605
  245   1HD1  ILE  28          2HD1      ILE  28  16.047  -0.272  -5.760
  246   2HD1  ILE  28          1HD1      ILE  28  15.728   1.404  -6.210
  247   3HD1  ILE  28          3HD1      ILE  28  17.117   1.012  -5.195
  248    H    ALA  29           H        ALA  29  12.800  -1.740  -1.811
  249    HA   ALA  29           HA       ALA  29  14.581  -2.346   0.267
  250   1HB   ALA  29          3HB       ALA  29  14.700   0.411  -0.483
  251   2HB   ALA  29          2HB       ALA  29  13.938   0.308   1.104
  252   3HB   ALA  29          1HB       ALA  29  15.537  -0.392   0.847
  253    H    GLU  30           H        GLU  30  13.455  -2.565   2.284
  254    HA   GLU  30           HA       GLU  30  10.554  -1.868   2.187
  255   1HB   GLU  30          2HB       GLU  30  10.088  -4.080   3.270
  256   2HB   GLU  30          1HB       GLU  30  10.714  -4.229   1.624
  257   1HG   GLU  30          2HG       GLU  30  12.532  -5.348   2.341
  258   2HG   GLU  30          1HG       GLU  30  12.885  -4.108   3.549
  259    H    ILE  31           H        ILE  31   9.551  -1.915   4.352
  260    HA   ILE  31           HA       ILE  31  11.545  -1.161   6.444
  261    HB   ILE  31           HB       ILE  31   9.905   0.429   7.277
  262   1HG1  ILE  31          2HG1      ILE  31   7.945   0.544   5.280
  263   2HG1  ILE  31          1HG1      ILE  31   8.122  -1.175   5.635
  264   1HG2  ILE  31          2HG2      ILE  31  10.473   0.523   4.318
  265   2HG2  ILE  31          1HG2      ILE  31   9.651   1.847   5.144
  266   3HG2  ILE  31          3HG2      ILE  31  11.290   1.396   5.615
  267   1HD1  ILE  31          3HD1      ILE  31   7.993  -0.517   8.111
  268   2HD1  ILE  31          2HD1      ILE  31   7.435   1.060   7.549
  269   3HD1  ILE  31          1HD1      ILE  31   6.497  -0.389   7.185
  270    H    HIS  32           H        HIS  32  11.630  -3.173   7.462
  271    HA   HIS  32           HA       HIS  32   9.746  -5.079   7.969
  272   1HB   HIS  32          2HB       HIS  32  12.141  -4.172   9.310
  273   2HB   HIS  32          1HB       HIS  32  10.945  -4.711  10.494
  274    HD1  HIS  32          1HD       HIS  32  13.271  -5.950   7.896
  275    HD2  HIS  32          2HD       HIS  32  10.073  -7.466  10.098
  276    HE1  HIS  32          1HE       HIS  32  13.349  -8.467   7.633
  277    H    THR  33           H        THR  33   7.619  -4.667   8.410
  278    HA   THR  33           HA       THR  33   6.997  -2.702  10.570
  279    HB   THR  33           HB       THR  33   4.709  -3.723   9.082
  280    HG1  THR  33          1HG       THR  33   5.370  -2.574   7.149
  281   1HG2  THR  33          3HG2      THR  33   5.945  -1.073   9.778
  282   2HG2  THR  33          2HG2      THR  33   4.615  -1.152   8.624
  283   3HG2  THR  33          1HG2      THR  33   4.387  -1.734  10.273
  284    H    ALA  34           H        ALA  34   7.517  -4.309  12.230
  285    HA   ALA  34           HA       ALA  34   5.341  -6.340  12.535
  286   1HB   ALA  34          2HB       ALA  34   8.226  -6.684  12.528
  287   2HB   ALA  34          1HB       ALA  34   7.529  -7.218  14.058
  288   3HB   ALA  34          3HB       ALA  34   6.960  -7.911  12.540
   
  No H/Q in entry =         288
  Start of MODEL    3
    1   1H    ALA   1          2HT       ALA   1 -18.721  -7.525  12.617
    2   2H    ALA   1          1HT       ALA   1 -17.231  -7.762  11.835
    3   3H    ALA   1          3HT       ALA   1 -17.275  -7.490  13.510
    4    HA   ALA   1           HA       ALA   1 -16.955  -5.349  13.105
    5   1HB   ALA   1          2HB       ALA   1 -16.212  -6.217  10.790
    6   2HB   ALA   1          1HB       ALA   1 -17.797  -5.690  10.227
    7   3HB   ALA   1          3HB       ALA   1 -16.669  -4.517  10.906
    8    H    VAL   2           H        VAL   2 -18.221  -3.377  12.929
    9    HA   VAL   2           HA       VAL   2 -20.831  -3.487  13.814
   10    HB   VAL   2           HB       VAL   2 -19.735  -1.373  13.841
   11   1HG1  VAL   2          1HG1      VAL   2 -18.604  -2.157  11.480
   12   2HG1  VAL   2          3HG1      VAL   2 -19.736  -0.926  10.921
   13   3HG1  VAL   2          2HG1      VAL   2 -18.513  -0.517  12.122
   14   1HG2  VAL   2          1HG2      VAL   2 -22.265  -1.483  13.211
   15   2HG2  VAL   2          3HG2      VAL   2 -21.419   0.052  13.020
   16   3HG2  VAL   2          2HG2      VAL   2 -21.726  -0.967  11.614
   17    H    SER   3           H        SER   3 -19.896  -3.051  10.375
   18    HA   SER   3           HA       SER   3 -22.604  -4.111   9.665
   19   1HB   SER   3          2HB       SER   3 -22.483  -1.865   8.872
   20   2HB   SER   3          1HB       SER   3 -20.831  -2.083   8.290
   21    HG   SER   3           HG       SER   3 -23.131  -2.508   7.009
   22    H    GLU   4           H        GLU   4 -22.602  -5.250   7.484
   23    HA   GLU   4           HA       GLU   4 -20.303  -7.115   7.412
   24   1HB   GLU   4          2HB       GLU   4 -22.681  -7.944   7.394
   25   2HB   GLU   4          1HB       GLU   4 -22.877  -7.196   5.811
   26   1HG   GLU   4          2HG       GLU   4 -20.620  -9.122   6.345
   27   2HG   GLU   4          1HG       GLU   4 -22.221  -9.703   5.887
   28    H    HIS   5           H        HIS   5 -22.199  -5.181   5.070
   29    HA   HIS   5           HA       HIS   5 -20.689  -5.550   2.799
   30   1HB   HIS   5          2HB       HIS   5 -22.466  -3.510   3.775
   31   2HB   HIS   5          1HB       HIS   5 -21.189  -2.813   2.778
   32    HD1  HIS   5          1HD       HIS   5 -20.819  -4.221   0.404
   33    HD2  HIS   5          2HD       HIS   5 -24.516  -4.567   2.293
   34    HE1  HIS   5          1HE       HIS   5 -22.437  -5.085  -1.344
   35    H    GLN   6           H        GLN   6 -20.023  -3.025   5.246
   36    HA   GLN   6           HA       GLN   6 -17.718  -1.951   4.165
   37   1HB   GLN   6          2HB       GLN   6 -18.803  -2.251   6.820
   38   2HB   GLN   6          1HB       GLN   6 -17.041  -2.270   6.834
   39   1HG   GLN   6          2HG       GLN   6 -17.802  -0.238   5.022
   40   2HG   GLN   6          1HG       GLN   6 -18.822  -0.032   6.445
   41   1HE2  GLN   6          2HE2      GLN   6 -15.074   1.254   6.669
   42   2HE2  GLN   6          1HE2      GLN   6 -15.930   0.989   5.216
   43    H    LEU   7           H        LEU   7 -15.396  -2.491   4.657
   44    HA   LEU   7           HA       LEU   7 -13.619  -4.032   4.875
   45   1HB   LEU   7          2HB       LEU   7 -15.642  -5.172   6.458
   46   2HB   LEU   7          1HB       LEU   7 -15.133  -6.460   5.366
   47    HG   LEU   7           HG       LEU   7 -13.145  -4.758   6.877
   48   1HD1  LEU   7          1HD1      LEU   7 -14.906  -6.884   7.856
   49   2HD1  LEU   7          3HD1      LEU   7 -13.199  -7.248   8.100
   50   3HD1  LEU   7          2HD1      LEU   7 -13.886  -5.765   8.763
   51   1HD2  LEU   7          1HD2      LEU   7 -13.066  -7.414   5.422
   52   2HD2  LEU   7          3HD2      LEU   7 -12.174  -5.944   5.027
   53   3HD2  LEU   7          2HD2      LEU   7 -11.764  -6.863   6.476
   54    H    LEU   8           H        LEU   8 -16.580  -5.484   3.380
   55    HA   LEU   8           HA       LEU   8 -15.172  -7.108   1.576
   56   1HB   LEU   8          2HB       LEU   8 -17.418  -7.645   1.919
   57   2HB   LEU   8          1HB       LEU   8 -17.919  -5.976   1.696
   58    HG   LEU   8           HG       LEU   8 -17.498  -6.057  -0.644
   59   1HD1  LEU   8          3HD1      LEU   8 -15.716  -8.154   0.180
   60   2HD1  LEU   8          2HD1      LEU   8 -16.754  -8.747  -1.119
   61   3HD1  LEU   8          1HD1      LEU   8 -15.769  -7.304  -1.363
   62   1HD2  LEU   8          2HD2      LEU   8 -19.143  -8.123   0.641
   63   2HD2  LEU   8          1HD2      LEU   8 -19.556  -7.027  -0.678
   64   3HD2  LEU   8          3HD2      LEU   8 -18.693  -8.528  -1.015
   65    H    HIS   9           H        HIS   9 -16.316  -3.770   1.376
   66    HA   HIS   9           HA       HIS   9 -15.462  -3.487  -1.363
   67   1HB   HIS   9          2HB       HIS   9 -16.425  -1.487   0.654
   68   2HB   HIS   9          1HB       HIS   9 -16.112  -1.087  -1.044
   69    HD1  HIS   9          1HD       HIS   9 -18.501  -0.909  -2.000
   70    HD2  HIS   9          2HD       HIS   9 -17.832  -4.213   0.392
   71    HE1  HIS   9          1HE       HIS   9 -20.605  -2.323  -2.176
   72    H    ASP  10           H        ASP  10 -14.456  -2.701   1.788
   73    HA   ASP  10           HA       ASP  10 -12.309  -0.990   1.381
   74   1HB   ASP  10          2HB       ASP  10 -13.129  -1.390   3.527
   75   2HB   ASP  10          1HB       ASP  10 -12.980  -3.136   3.353
   76    H    LYS  11           H        LYS  11 -12.611  -4.355   0.623
   77    HA   LYS  11           HA       LYS  11  -9.779  -4.899   0.611
   78   1HB   LYS  11          2HB       LYS  11 -12.030  -6.467   0.591
   79   2HB   LYS  11          1HB       LYS  11 -11.477  -6.602  -1.081
   80   1HG   LYS  11          2HG       LYS  11 -10.490  -8.334   0.465
   81   2HG   LYS  11          1HG       LYS  11  -9.289  -7.347  -0.367
   82   1HD   LYS  11          2HD       LYS  11  -8.549  -6.409   1.564
   83   2HD   LYS  11          1HD       LYS  11 -10.186  -6.206   2.192
   84   1HE   LYS  11          2HE       LYS  11 -10.029  -8.879   2.352
   85   2HE   LYS  11          1HE       LYS  11  -8.312  -8.504   2.497
   86   1HZ   LYS  11          2HZ       LYS  11  -9.951  -6.777   4.083
   87   2HZ   LYS  11          1HZ       LYS  11 -10.149  -8.410   4.507
   88   3HZ   LYS  11          3HZ       LYS  11  -8.605  -7.709   4.539
   89    H    GLY  12           H        GLY  12 -11.504  -2.868  -1.242
   90   1HA   GLY  12          2HA       GLY  12  -9.942  -3.499  -3.703
   91   2HA   GLY  12          1HA       GLY  12 -11.491  -2.653  -3.718
   92    H    LYS  13           H        LYS  13  -9.947  -1.498  -1.034
   93    HA   LYS  13           HA       LYS  13  -9.282   0.987  -2.350
   94   1HB   LYS  13          2HB       LYS  13  -8.458   0.382   0.414
   95   2HB   LYS  13          1HB       LYS  13  -8.981   1.919  -0.255
   96   1HG   LYS  13          2HG       LYS  13 -11.209   1.430   0.040
   97   2HG   LYS  13          1HG       LYS  13 -10.974  -0.304  -0.207
   98   1HD   LYS  13          2HD       LYS  13 -10.508  -0.683   1.982
   99   2HD   LYS  13          1HD       LYS  13  -9.568   0.800   2.130
  100   1HE   LYS  13          2HE       LYS  13 -12.551   0.979   1.822
  101   2HE   LYS  13          1HE       LYS  13 -11.869   0.582   3.400
  102   1HZ   LYS  13          1HZ       LYS  13 -10.433   2.578   3.146
  103   2HZ   LYS  13          3HZ       LYS  13 -11.317   2.990   1.759
  104   3HZ   LYS  13          2HZ       LYS  13 -12.092   2.927   3.269
  105    H    SER  14           H        SER  14  -7.047   1.713  -0.777
  106    HA   SER  14           HA       SER  14  -5.074   0.380  -2.413
  107   1HB   SER  14          2HB       SER  14  -4.302   2.441  -0.409
  108   2HB   SER  14          1HB       SER  14  -3.622   2.094  -2.005
  109    HG   SER  14           HG       SER  14  -5.261   3.980  -1.500
  110    H    ILE  15           H        ILE  15  -5.916  -1.461  -1.022
  111    HA   ILE  15           HA       ILE  15  -4.002  -1.945   1.208
  112    HB   ILE  15           HB       ILE  15  -5.916  -4.023   0.972
  113   1HG1  ILE  15          2HG1      ILE  15  -7.937  -2.430   1.592
  114   2HG1  ILE  15          1HG1      ILE  15  -7.061  -1.275   0.617
  115   1HG2  ILE  15          3HG2      ILE  15  -5.490  -1.812   2.984
  116   2HG2  ILE  15          2HG2      ILE  15  -6.625  -3.136   3.246
  117   3HG2  ILE  15          1HG2      ILE  15  -4.903  -3.473   3.071
  118   1HD1  ILE  15          3HD1      ILE  15  -7.399  -4.021  -0.490
  119   2HD1  ILE  15          2HD1      ILE  15  -8.818  -2.977  -0.453
  120   3HD1  ILE  15          1HD1      ILE  15  -7.381  -2.471  -1.326
  121    H    GLN  16           H        GLN  16  -5.702  -3.212  -1.555
  122    HA   GLN  16           HA       GLN  16  -3.800  -5.324  -2.184
  123   1HB   GLN  16          2HB       GLN  16  -5.850  -3.841  -3.875
  124   2HB   GLN  16          1HB       GLN  16  -5.044  -5.347  -4.336
  125   1HG   GLN  16          2HG       GLN  16  -6.143  -5.805  -1.771
  126   2HG   GLN  16          1HG       GLN  16  -7.399  -4.985  -2.698
  127   1HE2  GLN  16          2HE2      GLN  16  -8.122  -8.308  -3.816
  128   2HE2  GLN  16          1HE2      GLN  16  -8.585  -7.103  -2.715
  129    H    ASP  17           H        ASP  17  -4.296  -1.932  -2.605
  130    HA   ASP  17           HA       ASP  17  -2.200  -1.646  -4.656
  131   1HB   ASP  17          2HB       ASP  17  -4.548  -0.258  -4.077
  132   2HB   ASP  17          1HB       ASP  17  -3.284   0.804  -3.451
  133    H    LEU  18           H        LEU  18  -2.745  -1.093  -1.177
  134    HA   LEU  18           HA       LEU  18  -0.498   0.525  -0.587
  135   1HB   LEU  18          2HB       LEU  18  -2.265  -1.130   0.902
  136   2HB   LEU  18          1HB       LEU  18  -0.640  -1.695   1.275
  137    HG   LEU  18           HG       LEU  18  -1.375   0.112   2.816
  138   1HD1  LEU  18          2HD1      LEU  18   0.943   0.513   0.941
  139   2HD1  LEU  18          1HD1      LEU  18   0.618   1.694   2.208
  140   3HD1  LEU  18          3HD1      LEU  18   0.957   0.017   2.633
  141   1HD2  LEU  18          2HD2      LEU  18  -2.004   1.385   0.234
  142   2HD2  LEU  18          1HD2      LEU  18  -2.666   1.706   1.837
  143   3HD2  LEU  18          3HD2      LEU  18  -1.135   2.434   1.353
  144    H    ARG  19           H        ARG  19  -0.873  -2.737  -1.595
  145    HA   ARG  19           HA       ARG  19   1.770  -3.752  -1.177
  146   1HB   ARG  19          2HB       ARG  19   0.131  -5.373  -1.654
  147   2HB   ARG  19          1HB       ARG  19  -0.639  -4.364  -2.862
  148   1HG   ARG  19          2HG       ARG  19   1.471  -4.691  -4.278
  149   2HG   ARG  19          1HG       ARG  19   1.882  -5.993  -3.159
  150   1HD   ARG  19          2HD       ARG  19  -0.233  -5.856  -5.228
  151   2HD   ARG  19          1HD       ARG  19   0.650  -7.254  -4.618
  152    HE   ARG  19           HE       ARG  19  -0.985  -6.609  -2.505
  153   1HH1  ARG  19          1HH1      ARG  19  -2.276  -8.740  -2.805
  154   2HH1  ARG  19          2HH1      ARG  19  -3.541  -8.587  -3.979
  155   1HH2  ARG  19          1HH2      ARG  19  -2.273  -5.669  -5.356
  156   2HH2  ARG  19          2HH2      ARG  19  -3.540  -6.849  -5.421
  157    H    ARG  20           H        ARG  20   0.137  -2.266  -3.984
  158    HA   ARG  20           HA       ARG  20   2.536  -2.208  -5.547
  159   1HB   ARG  20          2HB       ARG  20   1.269  -1.208  -7.194
  160   2HB   ARG  20          1HB       ARG  20   0.007  -1.969  -6.225
  161   1HG   ARG  20          2HG       ARG  20  -0.533   0.103  -5.144
  162   2HG   ARG  20          1HG       ARG  20   0.907   0.889  -5.790
  163   1HD   ARG  20          2HD       ARG  20  -1.021  -0.309  -7.732
  164   2HD   ARG  20          1HD       ARG  20  -1.464   1.213  -6.956
  165    HE   ARG  20           HE       ARG  20   1.195   1.475  -7.899
  166   1HH1  ARG  20          1HH1      ARG  20  -1.509   2.990  -8.523
  167   2HH1  ARG  20          2HH1      ARG  20  -1.457   2.942 -10.253
  168   1HH2  ARG  20          1HH2      ARG  20   1.052   0.552 -10.374
  169   2HH2  ARG  20          2HH2      ARG  20  -0.004   1.563 -11.302
  170    H    ARG  21           H        ARG  21   1.080  -0.027  -3.207
  171    HA   ARG  21           HA       ARG  21   2.699   2.265  -3.690
  172   1HB   ARG  21          2HB       ARG  21   1.147   1.162  -1.448
  173   2HB   ARG  21          1HB       ARG  21   2.582   2.035  -0.910
  174   1HG   ARG  21          2HG       ARG  21   1.783   4.049  -1.619
  175   2HG   ARG  21          1HG       ARG  21   1.024   3.354  -3.052
  176   1HD   ARG  21          2HD       ARG  21  -0.082   2.766  -0.316
  177   2HD   ARG  21          1HD       ARG  21  -0.513   4.260  -1.148
  178    HE   ARG  21           HE       ARG  21  -1.350   1.548  -1.918
  179   1HH1  ARG  21          1HH1      ARG  21  -2.984   4.154  -1.828
  180   2HH1  ARG  21          2HH1      ARG  21  -3.237   4.433  -3.519
  181   1HH2  ARG  21          1HH2      ARG  21  -0.771   2.214  -4.527
  182   2HH2  ARG  21          2HH2      ARG  21  -1.984   3.335  -5.046
  183    H    PHE  22           H        PHE  22   3.285  -0.883  -2.370
  184    HA   PHE  22           HA       PHE  22   6.069  -0.223  -1.674
  185   1HB   PHE  22          2HB       PHE  22   4.541  -2.765  -1.313
  186   2HB   PHE  22          1HB       PHE  22   6.140  -2.423  -0.652
  187    HD1  PHE  22          1HD       PHE  22   3.042  -2.813   0.461
  188    HD2  PHE  22          2HD       PHE  22   5.947   0.325   0.131
  189    HE1  PHE  22          1HE       PHE  22   1.940  -1.594   2.308
  190    HE2  PHE  22          2HE       PHE  22   4.853   1.538   1.982
  191    HZ   PHE  22           HZ       PHE  22   2.859   0.571   3.033
  192    H    PHE  23           H        PHE  23   4.101  -1.896  -4.012
  193    HA   PHE  23           HA       PHE  23   5.368  -3.772  -5.358
  194   1HB   PHE  23          2HB       PHE  23   3.997  -1.414  -6.337
  195   2HB   PHE  23          1HB       PHE  23   5.237  -1.936  -7.464
  196    HD1  PHE  23          1HD       PHE  23   3.576  -4.282  -5.186
  197    HD2  PHE  23          2HD       PHE  23   3.675  -2.604  -9.134
  198    HE1  PHE  23          1HE       PHE  23   2.046  -6.058  -5.982
  199    HE2  PHE  23          2HE       PHE  23   2.153  -4.380  -9.930
  200    HZ   PHE  23           HZ       PHE  23   1.352  -6.076  -8.345
  201    H    LEU  24           H        LEU  24   6.487  -0.466  -6.122
  202    HA   LEU  24           HA       LEU  24   9.045  -1.488  -7.085
  203   1HB   LEU  24          2HB       LEU  24   8.059   1.339  -6.596
  204   2HB   LEU  24          1HB       LEU  24   9.592   0.932  -7.370
  205    HG   LEU  24           HG       LEU  24   7.722  -0.613  -8.741
  206   1HD1  LEU  24          2HD1      LEU  24   6.635   2.174  -8.227
  207   2HD1  LEU  24          1HD1      LEU  24   6.008   1.048  -9.431
  208   3HD1  LEU  24          3HD1      LEU  24   5.890   0.661  -7.714
  209   1HD2  LEU  24          1HD2      LEU  24   9.046   2.045  -9.326
  210   2HD2  LEU  24          3HD2      LEU  24   9.556   0.442  -9.854
  211   3HD2  LEU  24          2HD2      LEU  24   8.105   1.175 -10.538
  212    H    HIS  25           H        HIS  25   7.905   0.285  -4.205
  213    HA   HIS  25           HA       HIS  25  10.462   0.750  -3.050
  214   1HB   HIS  25          2HB       HIS  25   7.715   0.924  -2.212
  215   2HB   HIS  25          1HB       HIS  25   8.661   0.144  -0.939
  216    HD1  HIS  25          1HD       HIS  25   7.756   2.859  -0.173
  217    HD2  HIS  25          2HD       HIS  25  11.234   2.312  -2.406
  218    HE1  HIS  25          1HE       HIS  25   9.156   4.946   0.154
  219    H    HIS  26           H        HIS  26   8.523  -2.166  -3.250
  220    HA   HIS  26           HA       HIS  26   9.925  -3.638  -1.226
  221   1HB   HIS  26          2HB       HIS  26   7.671  -4.059  -2.701
  222   2HB   HIS  26          1HB       HIS  26   8.824  -5.179  -3.432
  223    HD1  HIS  26          1HD       HIS  26   8.629  -4.120   0.190
  224    HD2  HIS  26          2HD       HIS  26   8.221  -7.556  -2.127
  225    HE1  HIS  26          1HE       HIS  26   8.441  -6.043   1.806
  226    H    LEU  27           H        LEU  27  10.076  -3.769  -4.785
  227    HA   LEU  27           HA       LEU  27  12.524  -5.367  -4.692
  228   1HB   LEU  27          2HB       LEU  27  11.475  -4.023  -7.169
  229   2HB   LEU  27          1HB       LEU  27  12.275  -5.586  -7.011
  230    HG   LEU  27           HG       LEU  27   9.460  -4.874  -6.149
  231   1HD1  LEU  27          2HD1      LEU  27  10.012  -5.469  -8.580
  232   2HD1  LEU  27          1HD1      LEU  27  10.410  -7.081  -7.984
  233   3HD1  LEU  27          3HD1      LEU  27   8.773  -6.450  -7.798
  234   1HD2  LEU  27          2HD2      LEU  27  11.316  -6.994  -5.254
  235   2HD2  LEU  27          1HD2      LEU  27   9.866  -6.366  -4.471
  236   3HD2  LEU  27          3HD2      LEU  27   9.726  -7.571  -5.752
  237    H    ILE  28           H        ILE  28  11.883  -2.097  -4.337
  238    HA   ILE  28           HA       ILE  28  14.421  -1.255  -5.640
  239    HB   ILE  28           HB       ILE  28  12.138   0.319  -4.418
  240   1HG1  ILE  28          2HG1      ILE  28  11.906  -0.796  -6.713
  241   2HG1  ILE  28          1HG1      ILE  28  11.636   0.947  -6.669
  242   1HG2  ILE  28          3HG2      ILE  28  14.905   1.093  -5.185
  243   2HG2  ILE  28          2HG2      ILE  28  13.616   2.170  -5.721
  244   3HG2  ILE  28          1HG2      ILE  28  13.819   1.824  -4.004
  245   1HD1  ILE  28          3HD1      ILE  28  14.001   1.299  -7.366
  246   2HD1  ILE  28          2HD1      ILE  28  14.202  -0.448  -7.488
  247   3HD1  ILE  28          1HD1      ILE  28  13.081   0.387  -8.563
  248    H    ALA  29           H        ALA  29  13.461  -2.462  -2.714
  249    HA   ALA  29           HA       ALA  29  15.813  -2.155  -1.328
  250   1HB   ALA  29          2HB       ALA  29  14.421   0.381  -1.503
  251   2HB   ALA  29          1HB       ALA  29  14.574  -0.126   0.180
  252   3HB   ALA  29          3HB       ALA  29  16.013   0.035  -0.826
  253    H    GLU  30           H        GLU  30  15.641  -3.089   0.750
  254    HA   GLU  30           HA       GLU  30  12.899  -3.505   1.819
  255   1HB   GLU  30          2HB       GLU  30  13.388  -5.919   2.159
  256   2HB   GLU  30          1HB       GLU  30  13.367  -5.481   0.446
  257   1HG   GLU  30          2HG       GLU  30  15.892  -5.159   0.634
  258   2HG   GLU  30          1HG       GLU  30  15.780  -5.948   2.212
  259    H    ILE  31           H        ILE  31  13.051  -4.558   4.055
  260    HA   ILE  31           HA       ILE  31  14.700  -2.957   5.722
  261    HB   ILE  31           HB       ILE  31  12.830  -3.809   6.802
  262   1HG1  ILE  31          2HG1      ILE  31  14.815  -5.893   7.700
  263   2HG1  ILE  31          1HG1      ILE  31  15.067  -4.183   8.052
  264   1HG2  ILE  31          3HG2      ILE  31  13.453  -6.237   5.226
  265   2HG2  ILE  31          2HG2      ILE  31  12.723  -6.527   6.806
  266   3HG2  ILE  31          1HG2      ILE  31  11.889  -5.523   5.619
  267   1HD1  ILE  31          1HD1      ILE  31  12.808  -4.104   9.109
  268   2HD1  ILE  31          3HD1      ILE  31  12.653  -5.840   8.840
  269   3HD1  ILE  31          2HD1      ILE  31  13.899  -5.224   9.926
  270    H    HIS  32           H        HIS  32  16.813  -3.059   5.803
  271    HA   HIS  32           HA       HIS  32  18.569  -4.881   4.752
  272   1HB   HIS  32          2HB       HIS  32  18.943  -3.496   7.426
  273   2HB   HIS  32          1HB       HIS  32  20.234  -4.152   6.413
  274    HD1  HIS  32          1HD       HIS  32  20.720  -2.917   4.147
  275    HD2  HIS  32          2HD       HIS  32  17.911  -1.010   6.567
  276    HE1  HIS  32          1HE       HIS  32  20.431  -0.583   3.206
  277    H    THR  33           H        THR  33  19.029  -6.998   5.105
  278    HA   THR  33           HA       THR  33  17.612  -8.550   7.048
  279    HB   THR  33           HB       THR  33  20.218  -9.461   5.853
  280    HG1  THR  33          1HG       THR  33  19.357  -9.553   3.904
  281   1HG2  THR  33          1HG2      THR  33  17.545 -10.723   6.490
  282   2HG2  THR  33          3HG2      THR  33  18.805 -11.550   5.575
  283   3HG2  THR  33          2HG2      THR  33  19.103 -11.063   7.244
  284    H    ALA  34           H        ALA  34  18.204  -9.232   9.101
  285    HA   ALA  34           HA       ALA  34  20.948  -8.801  10.072
  286   1HB   ALA  34          3HB       ALA  34  18.580  -7.273  11.186
  287   2HB   ALA  34          2HB       ALA  34  20.115  -7.447  12.037
  288   3HB   ALA  34          1HB       ALA  34  20.056  -6.598  10.493
   
  No H/Q in entry =         288
  Start of MODEL    4
    1   1H    ALA   1          1HT       ALA   1 -12.380  12.173   9.179
    2   2H    ALA   1          3HT       ALA   1 -11.444  13.583   9.083
    3   3H    ALA   1          2HT       ALA   1 -12.657  13.291   7.931
    4    HA   ALA   1           HA       ALA   1 -11.038  12.482   6.653
    5   1HB   ALA   1          2HB       ALA   1  -9.530  13.339   8.749
    6   2HB   ALA   1          1HB       ALA   1  -9.200  11.607   8.809
    7   3HB   ALA   1          3HB       ALA   1  -8.859  12.521   7.339
    8    H    VAL   2           H        VAL   2 -11.278  10.490   5.747
    9    HA   VAL   2           HA       VAL   2 -12.655   8.357   6.801
   10    HB   VAL   2           HB       VAL   2 -11.944   8.429   4.453
   11   1HG1  VAL   2          3HG1      VAL   2  -9.207   8.011   5.673
   12   2HG1  VAL   2          2HG1      VAL   2  -9.547   7.695   3.971
   13   3HG1  VAL   2          1HG1      VAL   2  -9.731   9.326   4.619
   14   1HG2  VAL   2          2HG2      VAL   2 -10.932   6.010   5.984
   15   2HG2  VAL   2          1HG2      VAL   2 -12.560   6.242   5.344
   16   3HG2  VAL   2          3HG2      VAL   2 -11.198   6.045   4.240
   17    H    SER   3           H        SER   3 -12.013   6.331   7.805
   18    HA   SER   3           HA       SER   3  -9.705   6.694   9.634
   19   1HB   SER   3          2HB       SER   3 -10.684   4.965  10.977
   20   2HB   SER   3          1HB       SER   3 -12.009   6.018  10.477
   21    HG   SER   3           HG       SER   3 -12.553   4.532   8.903
   22    H    GLU   4           H        GLU   4  -7.883   5.444   9.484
   23    HA   GLU   4           HA       GLU   4  -7.204   4.082   7.111
   24   1HB   GLU   4          2HB       GLU   4  -5.606   4.860   8.894
   25   2HB   GLU   4          1HB       GLU   4  -6.098   3.477   9.866
   26   1HG   GLU   4          2HG       GLU   4  -4.960   1.988   8.562
   27   2HG   GLU   4          1HG       GLU   4  -5.326   2.861   7.073
   28    H    HIS   5           H        HIS   5  -8.793   2.904  10.022
   29    HA   HIS   5           HA       HIS   5  -8.503   0.147   9.622
   30   1HB   HIS   5          2HB       HIS   5 -10.078   1.856  11.265
   31   2HB   HIS   5          1HB       HIS   5 -11.091   0.555  10.638
   32    HD1  HIS   5          1HD       HIS   5  -9.753  -1.925  10.802
   33    HD2  HIS   5          2HD       HIS   5  -8.706   1.071  13.503
   34    HE1  HIS   5          1HE       HIS   5  -8.576  -3.077  12.726
   35    H    GLN   6           H        GLN   6 -10.166   2.361   7.651
   36    HA   GLN   6           HA       GLN   6 -12.114   0.446   6.666
   37   1HB   GLN   6          2HB       GLN   6 -11.526   3.274   6.312
   38   2HB   GLN   6          1HB       GLN   6 -12.145   2.469   4.874
   39   1HG   GLN   6          2HG       GLN   6 -13.654   1.615   7.170
   40   2HG   GLN   6          1HG       GLN   6 -13.620   3.377   7.129
   41   1HE2  GLN   6          2HE2      GLN   6 -14.963   3.166   3.597
   42   2HE2  GLN   6          1HE2      GLN   6 -13.467   3.675   4.241
   43    H    LEU   7           H        LEU   7  -9.350  -0.214   6.433
   44    HA   LEU   7           HA       LEU   7  -9.052  -0.389   3.509
   45   1HB   LEU   7          2HB       LEU   7  -7.135   0.329   5.615
   46   2HB   LEU   7          1HB       LEU   7  -6.540  -0.926   4.529
   47    HG   LEU   7           HG       LEU   7  -7.863   1.514   3.384
   48   1HD1  LEU   7          1HD1      LEU   7  -5.118   1.302   4.595
   49   2HD1  LEU   7          3HD1      LEU   7  -5.378   2.335   3.190
   50   3HD1  LEU   7          2HD1      LEU   7  -6.269   2.635   4.683
   51   1HD2  LEU   7          3HD2      LEU   7  -6.644  -0.823   2.382
   52   2HD2  LEU   7          2HD2      LEU   7  -7.146   0.589   1.454
   53   3HD2  LEU   7          1HD2      LEU   7  -5.497   0.479   2.068
   54    H    LEU   8           H        LEU   8  -7.643  -2.088   6.350
   55    HA   LEU   8           HA       LEU   8  -7.566  -4.605   5.148
   56   1HB   LEU   8          2HB       LEU   8  -6.342  -4.419   7.083
   57   2HB   LEU   8          1HB       LEU   8  -7.580  -3.457   7.868
   58    HG   LEU   8           HG       LEU   8  -7.202  -5.825   8.700
   59   1HD1  LEU   8          1HD1      LEU   8  -9.372  -4.182   8.747
   60   2HD1  LEU   8          3HD1      LEU   8 -10.064  -5.644   8.044
   61   3HD1  LEU   8          2HD1      LEU   8  -9.274  -5.712   9.619
   62   1HD2  LEU   8          3HD2      LEU   8  -7.663  -6.423   6.013
   63   2HD2  LEU   8          2HD2      LEU   8  -7.602  -7.585   7.338
   64   3HD2  LEU   8          1HD2      LEU   8  -9.148  -6.907   6.831
   65    H    HIS   9           H        HIS   9 -10.021  -2.960   7.075
   66    HA   HIS   9           HA       HIS   9 -11.990  -4.849   7.405
   67   1HB   HIS   9          2HB       HIS   9 -12.666  -2.890   8.278
   68   2HB   HIS   9          1HB       HIS   9 -11.851  -1.917   7.062
   69    HD1  HIS   9          1HD       HIS   9 -13.770  -0.479   6.157
   70    HD2  HIS   9          2HD       HIS   9 -14.689  -4.487   6.514
   71    HE1  HIS   9          1HE       HIS   9 -16.067  -0.756   5.110
   72    H    ASP  10           H        ASP  10 -12.254  -2.571   4.706
   73    HA   ASP  10           HA       ASP  10 -13.970  -4.247   3.212
   74   1HB   ASP  10          2HB       ASP  10 -13.526  -1.712   3.066
   75   2HB   ASP  10          1HB       ASP  10 -12.197  -2.162   2.004
   76    H    LYS  11           H        LYS  11 -10.600  -4.399   3.680
   77    HA   LYS  11           HA       LYS  11  -8.868  -5.483   2.493
   78   1HB   LYS  11          2HB       LYS  11 -10.815  -7.186   3.470
   79   2HB   LYS  11          1HB       LYS  11 -10.583  -7.746   1.808
   80   1HG   LYS  11          2HG       LYS  11  -8.381  -7.318   3.853
   81   2HG   LYS  11          1HG       LYS  11  -9.014  -8.882   3.340
   82   1HD   LYS  11          2HD       LYS  11  -8.286  -8.449   1.038
   83   2HD   LYS  11          1HD       LYS  11  -7.704  -6.851   1.509
   84   1HE   LYS  11          2HE       LYS  11  -5.796  -8.322   1.486
   85   2HE   LYS  11          1HE       LYS  11  -6.186  -8.000   3.176
   86   1HZ   LYS  11          2HZ       LYS  11  -7.482 -10.292   1.918
   87   2HZ   LYS  11          1HZ       LYS  11  -5.823 -10.435   2.257
   88   3HZ   LYS  11          3HZ       LYS  11  -6.919 -10.100   3.509
   89    H    GLY  12           H        GLY  12 -10.628  -3.775   0.786
   90   1HA   GLY  12          2HA       GLY  12  -9.874  -5.023  -1.800
   91   2HA   GLY  12          1HA       GLY  12 -11.553  -4.518  -1.593
   92    H    LYS  13           H        LYS  13  -9.420  -2.549   0.141
   93    HA   LYS  13           HA       LYS  13  -9.678  -0.421  -1.862
   94   1HB   LYS  13          2HB       LYS  13  -8.869  -0.083   0.975
   95   2HB   LYS  13          1HB       LYS  13  -9.540   1.136  -0.104
   96   1HG   LYS  13          2HG       LYS  13 -11.020  -1.339   0.839
   97   2HG   LYS  13          1HG       LYS  13 -11.237   0.276   1.523
   98   1HD   LYS  13          2HD       LYS  13 -11.581   0.891  -1.063
   99   2HD   LYS  13          1HD       LYS  13 -12.091  -0.797  -1.127
  100   1HE   LYS  13          2HE       LYS  13 -14.109  -0.032  -0.437
  101   2HE   LYS  13          1HE       LYS  13 -13.355   0.114   1.151
  102   1HZ   LYS  13          2HZ       LYS  13 -12.958   2.302  -0.744
  103   2HZ   LYS  13          1HZ       LYS  13 -14.496   2.152  -0.038
  104   3HZ   LYS  13          3HZ       LYS  13 -13.128   2.347   0.946
  105    H    SER  14           H        SER  14  -7.618   1.171  -0.638
  106    HA   SER  14           HA       SER  14  -5.501   0.143  -2.238
  107   1HB   SER  14          2HB       SER  14  -5.097   2.275  -0.173
  108   2HB   SER  14          1HB       SER  14  -4.266   2.046  -1.717
  109    HG   SER  14           HG       SER  14  -5.781   3.183  -2.612
  110    H    ILE  15           H        ILE  15  -5.807  -1.898  -0.981
  111    HA   ILE  15           HA       ILE  15  -3.718  -2.081   1.127
  112    HB   ILE  15           HB       ILE  15  -5.107  -4.473   1.105
  113   1HG1  ILE  15          2HG1      ILE  15  -7.501  -3.444   1.570
  114   2HG1  ILE  15          1HG1      ILE  15  -6.964  -2.221   0.440
  115   1HG2  ILE  15          2HG2      ILE  15  -4.950  -2.092   2.858
  116   2HG2  ILE  15          1HG2      ILE  15  -6.274  -3.208   3.191
  117   3HG2  ILE  15          3HG2      ILE  15  -4.607  -3.782   3.227
  118   1HD1  ILE  15          3HD1      ILE  15  -6.301  -4.902  -0.475
  119   2HD1  ILE  15          2HD1      ILE  15  -8.036  -4.707  -0.221
  120   3HD1  ILE  15          1HD1      ILE  15  -7.174  -3.624  -1.312
  121    H    GLN  16           H        GLN  16  -5.342  -3.497  -1.622
  122    HA   GLN  16           HA       GLN  16  -3.222  -5.304  -2.417
  123   1HB   GLN  16          2HB       GLN  16  -5.513  -4.000  -3.938
  124   2HB   GLN  16          1HB       GLN  16  -4.508  -5.311  -4.568
  125   1HG   GLN  16          2HG       GLN  16  -5.510  -6.043  -1.968
  126   2HG   GLN  16          1HG       GLN  16  -6.856  -5.546  -2.994
  127   1HE2  GLN  16          2HE2      GLN  16  -5.175  -9.130  -3.616
  128   2HE2  GLN  16          1HE2      GLN  16  -4.873  -8.189  -2.236
  129    H    ASP  17           H        ASP  17  -4.166  -1.983  -2.686
  130    HA   ASP  17           HA       ASP  17  -2.130  -1.372  -4.726
  131   1HB   ASP  17          2HB       ASP  17  -4.564  -0.154  -3.802
  132   2HB   ASP  17          1HB       ASP  17  -3.247   0.994  -3.566
  133    H    LEU  18           H        LEU  18  -2.756  -0.889  -1.229
  134    HA   LEU  18           HA       LEU  18  -0.554   0.781  -0.597
  135   1HB   LEU  18          2HB       LEU  18  -2.298  -0.980   0.838
  136   2HB   LEU  18          1HB       LEU  18  -0.647  -1.374   1.306
  137    HG   LEU  18           HG       LEU  18  -1.752   0.434   2.699
  138   1HD1  LEU  18          1HD1      LEU  18   0.774   1.032   1.138
  139   2HD1  LEU  18          3HD1      LEU  18   0.261   1.958   2.548
  140   3HD1  LEU  18          2HD1      LEU  18   0.651   0.246   2.711
  141   1HD2  LEU  18          2HD2      LEU  18  -2.294   1.463   0.094
  142   2HD2  LEU  18          1HD2      LEU  18  -2.737   2.165   1.649
  143   3HD2  LEU  18          3HD2      LEU  18  -1.203   2.594   0.895
  144    H    ARG  19           H        ARG  19  -0.824  -2.496  -1.620
  145    HA   ARG  19           HA       ARG  19   1.869  -3.383  -1.119
  146   1HB   ARG  19          2HB       ARG  19   0.362  -5.130  -1.483
  147   2HB   ARG  19          1HB       ARG  19  -0.526  -4.234  -2.701
  148   1HG   ARG  19          2HG       ARG  19   1.393  -4.504  -4.265
  149   2HG   ARG  19          1HG       ARG  19   2.189  -5.527  -3.063
  150   1HD   ARG  19          2HD       ARG  19  -0.177  -6.093  -4.779
  151   2HD   ARG  19          1HD       ARG  19   1.102  -7.180  -4.241
  152    HE   ARG  19           HE       ARG  19  -1.282  -6.405  -2.626
  153   1HH1  ARG  19          1HH1      ARG  19  -0.349  -7.106  -0.387
  154   2HH1  ARG  19          2HH1      ARG  19   0.127  -8.771  -0.369
  155   1HH2  ARG  19          1HH2      ARG  19   0.151  -9.077  -3.823
  156   2HH2  ARG  19          2HH2      ARG  19   0.402  -9.890  -2.314
  157    H    ARG  20           H        ARG  20   0.178  -2.437  -4.128
  158    HA   ARG  20           HA       ARG  20   2.538  -2.242  -5.699
  159   1HB   ARG  20          2HB       ARG  20   1.165  -1.315  -7.359
  160   2HB   ARG  20          1HB       ARG  20   0.035  -2.255  -6.387
  161   1HG   ARG  20          2HG       ARG  20  -0.733  -0.278  -5.246
  162   2HG   ARG  20          1HG       ARG  20   0.550   0.698  -5.959
  163   1HD   ARG  20          2HD       ARG  20  -1.451  -0.762  -7.678
  164   2HD   ARG  20          1HD       ARG  20  -1.781   0.855  -7.053
  165    HE   ARG  20           HE       ARG  20   0.676   1.179  -8.211
  166   1HH1  ARG  20          1HH1      ARG  20  -1.370   2.531  -9.649
  167   2HH1  ARG  20          2HH1      ARG  20  -1.525   1.658 -11.138
  168   1HH2  ARG  20          1HH2      ARG  20   0.091  -1.173  -9.953
  169   2HH2  ARG  20          2HH2      ARG  20  -0.699  -0.440 -11.309
  170    H    ARG  21           H        ARG  21   1.269  -0.252  -3.224
  171    HA   ARG  21           HA       ARG  21   2.618   2.204  -4.015
  172   1HB   ARG  21          2HB       ARG  21   1.118   1.177  -1.666
  173   2HB   ARG  21          1HB       ARG  21   2.388   2.330  -1.269
  174   1HG   ARG  21          2HG       ARG  21   1.393   4.055  -2.485
  175   2HG   ARG  21          1HG       ARG  21   0.488   2.937  -3.510
  176   1HD   ARG  21          2HD       ARG  21  -0.105   2.833  -0.598
  177   2HD   ARG  21          1HD       ARG  21  -0.650   4.274  -1.458
  178    HE   ARG  21           HE       ARG  21  -1.649   1.529  -1.869
  179   1HH1  ARG  21          1HH1      ARG  21  -3.381   3.980  -1.570
  180   2HH1  ARG  21          2HH1      ARG  21  -3.890   4.258  -3.202
  181   1HH2  ARG  21          1HH2      ARG  21  -1.446   2.229  -4.591
  182   2HH2  ARG  21          2HH2      ARG  21  -2.798   3.264  -4.913
  183    H    PHE  22           H        PHE  22   3.325  -0.734  -2.327
  184    HA   PHE  22           HA       PHE  22   6.055   0.164  -1.668
  185   1HB   PHE  22          2HB       PHE  22   4.672  -2.425  -1.099
  186   2HB   PHE  22          1HB       PHE  22   6.234  -1.931  -0.454
  187    HD1  PHE  22          1HD       PHE  22   3.116  -2.390   0.608
  188    HD2  PHE  22          2HD       PHE  22   5.900   0.833   0.128
  189    HE1  PHE  22          1HE       PHE  22   1.907  -1.089   2.327
  190    HE2  PHE  22          2HE       PHE  22   4.701   2.131   1.850
  191    HZ   PHE  22           HZ       PHE  22   2.715   1.160   2.915
  192    H    PHE  23           H        PHE  23   4.227  -1.625  -3.961
  193    HA   PHE  23           HA       PHE  23   5.458  -3.620  -5.132
  194   1HB   PHE  23          2HB       PHE  23   4.220  -1.316  -6.288
  195   2HB   PHE  23          1HB       PHE  23   5.591  -1.766  -7.283
  196    HD1  PHE  23          1HD       PHE  23   5.303  -4.828  -6.399
  197    HD2  PHE  23          2HD       PHE  23   2.703  -1.836  -8.039
  198    HE1  PHE  23          1HE       PHE  23   3.905  -6.591  -7.413
  199    HE2  PHE  23          2HE       PHE  23   1.304  -3.602  -9.048
  200    HZ   PHE  23           HZ       PHE  23   1.923  -5.950  -8.725
  201    H    LEU  24           H        LEU  24   6.740  -0.582  -6.397
  202    HA   LEU  24           HA       LEU  24   9.330  -1.724  -6.929
  203   1HB   LEU  24          2HB       LEU  24   8.035   0.924  -7.202
  204   2HB   LEU  24          1HB       LEU  24   9.781   0.971  -6.957
  205    HG   LEU  24           HG       LEU  24  10.166  -0.455  -8.859
  206   1HD1  LEU  24          2HD1      LEU  24   7.237  -0.956  -8.564
  207   2HD1  LEU  24          1HD1      LEU  24   7.914  -1.009 -10.192
  208   3HD1  LEU  24          3HD1      LEU  24   8.538  -2.086  -8.943
  209   1HD2  LEU  24          1HD2      LEU  24   9.381   2.057  -9.128
  210   2HD2  LEU  24          3HD2      LEU  24   9.585   1.037 -10.552
  211   3HD2  LEU  24          2HD2      LEU  24   7.974   1.317  -9.892
  212    H    HIS  25           H        HIS  25   7.947   0.128  -4.237
  213    HA   HIS  25           HA       HIS  25  10.393   0.820  -2.956
  214   1HB   HIS  25          2HB       HIS  25   7.957   1.441  -2.297
  215   2HB   HIS  25          1HB       HIS  25   7.969  -0.085  -1.402
  216    HD1  HIS  25          1HD       HIS  25   7.841   2.630   0.110
  217    HD2  HIS  25          2HD       HIS  25  11.375   0.574  -0.698
  218    HE1  HIS  25          1HE       HIS  25   9.541   3.431   1.808
  219    H    HIS  26           H        HIS  26   8.504  -2.196  -2.832
  220    HA   HIS  26           HA       HIS  26  10.379  -3.443  -1.000
  221   1HB   HIS  26          2HB       HIS  26   7.772  -3.905  -1.579
  222   2HB   HIS  26          1HB       HIS  26   8.580  -5.162  -2.521
  223    HD1  HIS  26          1HD       HIS  26   9.657  -3.726   0.805
  224    HD2  HIS  26          2HD       HIS  26   8.416  -7.352  -0.823
  225    HE1  HIS  26          1HE       HIS  26   9.992  -5.459   2.602
  226    H    LEU  27           H        LEU  27   9.479  -3.915  -4.418
  227    HA   LEU  27           HA       LEU  27  11.877  -5.611  -4.781
  228   1HB   LEU  27          2HB       LEU  27   9.977  -4.877  -6.992
  229   2HB   LEU  27          1HB       LEU  27  10.897  -6.365  -6.766
  230    HG   LEU  27           HG       LEU  27   8.660  -5.505  -4.915
  231   1HD1  LEU  27          2HD1      LEU  27   8.508  -6.540  -7.593
  232   2HD1  LEU  27          1HD1      LEU  27   7.931  -7.769  -6.468
  233   3HD1  LEU  27          3HD1      LEU  27   7.190  -6.169  -6.482
  234   1HD2  LEU  27          1HD2      LEU  27  10.583  -7.731  -5.060
  235   2HD2  LEU  27          3HD2      LEU  27   9.644  -7.144  -3.686
  236   3HD2  LEU  27          2HD2      LEU  27   8.909  -8.248  -4.850
  237    H    ILE  28           H        ILE  28  13.648  -4.969  -5.993
  238    HA   ILE  28           HA       ILE  28  15.021  -3.573  -7.297
  239    HB   ILE  28           HB       ILE  28  12.659  -1.734  -7.689
  240   1HG1  ILE  28          2HG1      ILE  28  13.285  -4.378  -9.030
  241   2HG1  ILE  28          1HG1      ILE  28  11.778  -3.892  -8.255
  242   1HG2  ILE  28          3HG2      ILE  28  15.114  -1.263  -8.436
  243   2HG2  ILE  28          2HG2      ILE  28  14.800  -2.481  -9.672
  244   3HG2  ILE  28          1HG2      ILE  28  13.817  -1.018  -9.606
  245   1HD1  ILE  28          1HD1      ILE  28  11.836  -1.954 -10.045
  246   2HD1  ILE  28          3HD1      ILE  28  12.889  -3.069 -10.916
  247   3HD1  ILE  28          2HD1      ILE  28  11.246  -3.554 -10.494
  248    H    ALA  29           H        ALA  29  14.058  -3.090  -4.357
  249    HA   ALA  29           HA       ALA  29  15.643  -0.668  -4.038
  250   1HB   ALA  29          1HB       ALA  29  12.721  -0.841  -3.337
  251   2HB   ALA  29          3HB       ALA  29  13.795   0.237  -2.447
  252   3HB   ALA  29          2HB       ALA  29  13.572   0.451  -4.184
  253    H    GLU  30           H        GLU  30  16.189  -3.316  -3.369
  254    HA   GLU  30           HA       GLU  30  17.270  -3.252  -0.856
  255   1HB   GLU  30          2HB       GLU  30  15.466  -4.600   0.444
  256   2HB   GLU  30          1HB       GLU  30  15.266  -2.851   0.311
  257   1HG   GLU  30          2HG       GLU  30  13.451  -3.035  -1.067
  258   2HG   GLU  30          1HG       GLU  30  14.099  -4.454  -1.896
  259    H    ILE  31           H        ILE  31  18.576  -4.623  -2.287
  260    HA   ILE  31           HA       ILE  31  17.549  -7.432  -2.406
  261    HB   ILE  31           HB       ILE  31  19.788  -6.832  -4.194
  262   1HG1  ILE  31          2HG1      ILE  31  18.078  -5.698  -5.836
  263   2HG1  ILE  31          1HG1      ILE  31  17.245  -5.227  -4.355
  264   1HG2  ILE  31          3HG2      ILE  31  18.361  -8.888  -4.192
  265   2HG2  ILE  31          2HG2      ILE  31  16.999  -7.899  -4.719
  266   3HG2  ILE  31          1HG2      ILE  31  18.411  -8.083  -5.761
  267   1HD1  ILE  31          1HD1      ILE  31  20.015  -4.715  -3.960
  268   2HD1  ILE  31          3HD1      ILE  31  19.579  -4.048  -5.533
  269   3HD1  ILE  31          2HD1      ILE  31  18.707  -3.540  -4.088
  270    H    HIS  32           H        HIS  32  18.523  -8.428  -0.690
  271    HA   HIS  32           HA       HIS  32  21.150  -7.674   0.236
  272   1HB   HIS  32          2HB       HIS  32  18.983  -9.392   1.135
  273   2HB   HIS  32          1HB       HIS  32  20.558 -10.166   1.344
  274    HD1  HIS  32          1HD       HIS  32  18.367  -7.622   2.812
  275    HD2  HIS  32          2HD       HIS  32  22.453  -8.455   2.864
  276    HE1  HIS  32          1HE       HIS  32  19.341  -6.307   4.744
  277    H    THR  33           H        THR  33  23.073  -8.493  -0.474
  278    HA   THR  33           HA       THR  33  23.005 -10.585  -2.553
  279    HB   THR  33           HB       THR  33  25.357 -10.031  -2.890
  280    HG1  THR  33          1HG       THR  33  25.310  -8.051  -0.954
  281   1HG2  THR  33          3HG2      THR  33  23.459  -8.481  -3.686
  282   2HG2  THR  33          2HG2      THR  33  23.950  -7.413  -2.371
  283   3HG2  THR  33          1HG2      THR  33  25.090  -7.808  -3.658
  284    H    ALA  34           H        ALA  34  22.869 -12.637  -1.728
  285    HA   ALA  34           HA       ALA  34  24.913 -13.408   0.297
  286   1HB   ALA  34          1HB       ALA  34  22.693 -13.054   1.420
  287   2HB   ALA  34          3HB       ALA  34  22.023 -14.317   0.388
  288   3HB   ALA  34          2HB       ALA  34  23.292 -14.708   1.549
   
  No H/Q in entry =         288
  Start of MODEL    5
    1   1H    ALA   1          2HT       ALA   1 -17.237  12.811   3.184
    2   2H    ALA   1          1HT       ALA   1 -17.764  11.212   3.414
    3   3H    ALA   1          3HT       ALA   1 -18.181  12.412   4.538
    4    HA   ALA   1           HA       ALA   1 -16.152  12.431   5.528
    5   1HB   ALA   1          1HB       ALA   1 -17.218   9.917   4.986
    6   2HB   ALA   1          3HB       ALA   1 -15.517   9.749   4.553
    7   3HB   ALA   1          2HB       ALA   1 -15.966  10.272   6.176
    8    H    VAL   2           H        VAL   2 -16.001  11.596   2.132
    9    HA   VAL   2           HA       VAL   2 -13.326  11.211   1.619
   10    HB   VAL   2           HB       VAL   2 -14.972  11.319  -0.178
   11   1HG1  VAL   2          1HG1      VAL   2 -15.532  13.879   1.055
   12   2HG1  VAL   2          3HG1      VAL   2 -15.230  14.081  -0.671
   13   3HG1  VAL   2          2HG1      VAL   2 -16.492  12.980  -0.120
   14   1HG2  VAL   2          1HG2      VAL   2 -12.724  13.341  -0.352
   15   2HG2  VAL   2          3HG2      VAL   2 -12.724  11.676  -0.932
   16   3HG2  VAL   2          2HG2      VAL   2 -13.709  12.893  -1.744
   17    H    SER   3           H        SER   3 -11.490  12.564   1.353
   18    HA   SER   3           HA       SER   3 -11.770  15.377   2.300
   19   1HB   SER   3          2HB       SER   3 -10.787  14.777   4.251
   20   2HB   SER   3          1HB       SER   3 -10.376  13.176   3.637
   21    HG   SER   3           HG       SER   3  -8.840  15.399   3.875
   22    H    GLU   4           H        GLU   4  -9.502  16.502   1.919
   23    HA   GLU   4           HA       GLU   4  -8.910  16.200  -0.906
   24   1HB   GLU   4          2HB       GLU   4  -8.830  18.355   0.511
   25   2HB   GLU   4          1HB       GLU   4  -7.261  17.778   1.069
   26   1HG   GLU   4          2HG       GLU   4  -6.474  18.870  -0.769
   27   2HG   GLU   4          1HG       GLU   4  -7.007  17.422  -1.624
   28    H    HIS   5           H        HIS   5  -6.804  15.924   1.989
   29    HA   HIS   5           HA       HIS   5  -4.561  14.854   0.756
   30   1HB   HIS   5          2HB       HIS   5  -5.410  15.194   3.379
   31   2HB   HIS   5          1HB       HIS   5  -5.071  13.469   3.228
   32    HD1  HIS   5          1HD       HIS   5  -2.619  12.816   2.420
   33    HD2  HIS   5          2HD       HIS   5  -3.167  16.835   3.366
   34    HE1  HIS   5          1HE       HIS   5  -0.303  13.819   2.640
   35    H    GLN   6           H        GLN   6  -7.628  13.287   1.309
   36    HA   GLN   6           HA       GLN   6  -6.920  10.596   1.200
   37   1HB   GLN   6          2HB       GLN   6  -9.256  12.161   0.534
   38   2HB   GLN   6          1HB       GLN   6  -9.072  10.794  -0.562
   39   1HG   GLN   6          2HG       GLN   6  -8.500   9.993   2.157
   40   2HG   GLN   6          1HG       GLN   6 -10.097  10.736   2.062
   41   1HE2  GLN   6          2HE2      GLN   6 -10.488   7.118   1.208
   42   2HE2  GLN   6          1HE2      GLN   6  -9.964   7.986   2.580
   43    H    LEU   7           H        LEU   7  -7.143   9.192  -0.955
   44    HA   LEU   7           HA       LEU   7  -6.321   8.780  -3.140
   45   1HB   LEU   7          2HB       LEU   7  -7.215  11.480  -3.225
   46   2HB   LEU   7          1HB       LEU   7  -5.604  11.462  -3.943
   47    HG   LEU   7           HG       LEU   7  -7.246   9.199  -4.808
   48   1HD1  LEU   7          3HD1      LEU   7  -8.842  11.285  -4.450
   49   2HD1  LEU   7          2HD1      LEU   7  -8.103  11.832  -5.955
   50   3HD1  LEU   7          1HD1      LEU   7  -8.972  10.297  -5.905
   51   1HD2  LEU   7          2HD2      LEU   7  -5.341  11.200  -5.877
   52   2HD2  LEU   7          1HD2      LEU   7  -5.475   9.476  -6.225
   53   3HD2  LEU   7          3HD2      LEU   7  -6.547  10.623  -7.029
   54    H    LEU   8           H        LEU   8  -4.608  11.734  -1.986
   55    HA   LEU   8           HA       LEU   8  -2.044  10.661  -2.568
   56   1HB   LEU   8          2HB       LEU   8  -2.163  13.000  -2.536
   57   2HB   LEU   8          1HB       LEU   8  -3.124  12.993  -1.067
   58    HG   LEU   8           HG       LEU   8  -1.265  12.388   0.282
   59   1HD1  LEU   8          2HD1      LEU   8  -0.350  11.290  -2.217
   60   2HD1  LEU   8          1HD1      LEU   8   0.922  12.283  -1.503
   61   3HD1  LEU   8          3HD1      LEU   8   0.225  10.945  -0.587
   62   1HD2  LEU   8          1HD2      LEU   8  -1.390  14.777  -0.785
   63   2HD2  LEU   8          3HD2      LEU   8   0.077  14.302   0.070
   64   3HD2  LEU   8          2HD2      LEU   8   0.028  14.254  -1.693
   65    H    HIS   9           H        HIS   9  -4.201  10.853   0.152
   66    HA   HIS   9           HA       HIS   9  -2.371   9.717   2.070
   67   1HB   HIS   9          2HB       HIS   9  -3.985  11.215   2.923
   68   2HB   HIS   9          1HB       HIS   9  -5.310  10.407   2.086
   69    HD1  HIS   9          1HD       HIS   9  -6.648   9.014   3.711
   70    HD2  HIS   9          2HD       HIS   9  -2.627   9.205   4.659
   71    HE1  HIS   9          1HE       HIS   9  -6.358   7.610   5.805
   72    H    ASP  10           H        ASP  10  -3.751   8.367  -0.518
   73    HA   ASP  10           HA       ASP  10  -4.874   6.299  -0.947
   74   1HB   ASP  10          2HB       ASP  10  -2.642   6.017  -1.558
   75   2HB   ASP  10          1HB       ASP  10  -2.097   6.002   0.119
   76    H    LYS  11           H        LYS  11  -3.016   4.878   1.642
   77    HA   LYS  11           HA       LYS  11  -3.922   3.216   3.141
   78   1HB   LYS  11          2HB       LYS  11  -3.812   5.933   4.018
   79   2HB   LYS  11          1HB       LYS  11  -5.204   5.159   4.788
   80   1HG   LYS  11          2HG       LYS  11  -2.350   4.127   4.788
   81   2HG   LYS  11          1HG       LYS  11  -3.212   4.815   6.166
   82   1HD   LYS  11          2HD       LYS  11  -4.915   2.814   5.206
   83   2HD   LYS  11          1HD       LYS  11  -3.302   2.106   5.110
   84   1HE   LYS  11          2HE       LYS  11  -3.996   1.607   7.311
   85   2HE   LYS  11          1HE       LYS  11  -2.976   3.034   7.508
   86   1HZ   LYS  11          3HZ       LYS  11  -5.114   4.344   7.271
   87   2HZ   LYS  11          2HZ       LYS  11  -5.929   2.873   7.515
   88   3HZ   LYS  11          1HZ       LYS  11  -4.903   3.488   8.720
   89    H    GLY  12           H        GLY  12  -5.604   2.117   1.929
   90   1HA   GLY  12          2HA       GLY  12  -8.008   1.602   2.824
   91   2HA   GLY  12          1HA       GLY  12  -8.341   3.253   2.293
   92    H    LYS  13           H        LYS  13  -6.491   2.988  -0.018
   93    HA   LYS  13           HA       LYS  13  -8.322   1.994  -1.964
   94   1HB   LYS  13          2HB       LYS  13  -5.413   2.611  -2.168
   95   2HB   LYS  13          1HB       LYS  13  -6.473   2.342  -3.545
   96   1HG   LYS  13          2HG       LYS  13  -7.426   4.367  -1.611
   97   2HG   LYS  13          1HG       LYS  13  -5.953   4.804  -2.486
   98   1HD   LYS  13          2HD       LYS  13  -8.402   3.708  -3.873
   99   2HD   LYS  13          1HD       LYS  13  -8.132   5.439  -3.641
  100   1HE   LYS  13          2HE       LYS  13  -6.416   5.511  -5.153
  101   2HE   LYS  13          1HE       LYS  13  -5.850   3.894  -4.732
  102   1HZ   LYS  13          3HZ       LYS  13  -8.452   3.915  -5.950
  103   2HZ   LYS  13          2HZ       LYS  13  -7.239   4.537  -6.965
  104   3HZ   LYS  13          1HZ       LYS  13  -7.091   2.972  -6.319
  105    H    SER  14           H        SER  14  -8.460  -0.040  -0.525
  106    HA   SER  14           HA       SER  14  -7.879  -2.302  -0.263
  107   1HB   SER  14          2HB       SER  14  -7.915  -3.499  -2.309
  108   2HB   SER  14          1HB       SER  14  -8.862  -2.050  -2.646
  109    HG   SER  14           HG       SER  14  -7.409  -1.506  -4.052
  110    H    ILE  15           H        ILE  15  -6.136  -2.259   1.023
  111    HA   ILE  15           HA       ILE  15  -3.605  -1.455   0.859
  112    HB   ILE  15           HB       ILE  15  -4.894  -3.765   1.916
  113   1HG1  ILE  15          2HG1      ILE  15  -3.586  -1.555   2.759
  114   2HG1  ILE  15          1HG1      ILE  15  -3.936  -2.928   3.793
  115   1HG2  ILE  15          3HG2      ILE  15  -2.043  -4.179   0.980
  116   2HG2  ILE  15          2HG2      ILE  15  -2.806  -5.160   2.230
  117   3HG2  ILE  15          1HG2      ILE  15  -3.446  -5.172   0.587
  118   1HD1  ILE  15          1HD1      ILE  15  -1.442  -2.994   2.129
  119   2HD1  ILE  15          3HD1      ILE  15  -1.455  -1.963   3.564
  120   3HD1  ILE  15          2HD1      ILE  15  -1.734  -3.698   3.722
  121    H    GLN  16           H        GLN  16  -4.964  -4.018  -1.025
  122    HA   GLN  16           HA       GLN  16  -3.089  -5.134  -2.611
  123   1HB   GLN  16          2HB       GLN  16  -5.123  -5.588  -3.581
  124   2HB   GLN  16          1HB       GLN  16  -5.827  -4.133  -2.861
  125   1HG   GLN  16          2HG       GLN  16  -6.010  -3.950  -5.255
  126   2HG   GLN  16          1HG       GLN  16  -4.813  -2.788  -4.692
  127   1HE2  GLN  16          2HE2      GLN  16  -2.488  -5.768  -5.914
  128   2HE2  GLN  16          1HE2      GLN  16  -3.198  -5.668  -4.378
  129    H    ASP  17           H        ASP  17  -4.193  -1.755  -2.714
  130    HA   ASP  17           HA       ASP  17  -2.125  -1.142  -4.765
  131   1HB   ASP  17          2HB       ASP  17  -4.130   0.720  -3.447
  132   2HB   ASP  17          1HB       ASP  17  -3.145   1.082  -4.865
  133    H    LEU  18           H        LEU  18  -2.932  -0.247  -1.397
  134    HA   LEU  18           HA       LEU  18  -0.790   1.519  -0.900
  135   1HB   LEU  18          2HB       LEU  18  -2.391   1.021   0.871
  136   2HB   LEU  18          1HB       LEU  18  -1.934  -0.682   0.858
  137    HG   LEU  18           HG       LEU  18   0.348  -0.072   1.576
  138   1HD1  LEU  18          1HD1      LEU  18  -0.398   2.471   0.668
  139   2HD1  LEU  18          3HD1      LEU  18  -0.291   2.638   2.421
  140   3HD1  LEU  18          2HD1      LEU  18   1.099   2.056   1.505
  141   1HD2  LEU  18          1HD2      LEU  18  -2.002  -0.034   3.099
  142   2HD2  LEU  18          3HD2      LEU  18  -0.361  -0.214   3.717
  143   3HD2  LEU  18          2HD2      LEU  18  -1.104   1.384   3.639
  144    H    ARG  19           H        ARG  19  -0.927  -1.866  -1.541
  145    HA   ARG  19           HA       ARG  19   1.765  -2.594  -0.786
  146   1HB   ARG  19          2HB       ARG  19   0.356  -4.440  -0.963
  147   2HB   ARG  19          1HB       ARG  19  -0.554  -3.739  -2.291
  148   1HG   ARG  19          2HG       ARG  19   1.408  -4.132  -3.787
  149   2HG   ARG  19          1HG       ARG  19   2.206  -4.982  -2.460
  150   1HD   ARG  19          2HD       ARG  19  -0.095  -5.817  -4.146
  151   2HD   ARG  19          1HD       ARG  19   1.185  -6.796  -3.429
  152    HE   ARG  19           HE       ARG  19  -1.172  -5.771  -1.892
  153   1HH1  ARG  19          1HH1      ARG  19   0.282  -8.522  -3.111
  154   2HH1  ARG  19          2HH1      ARG  19   0.271  -9.409  -1.623
  155   1HH2  ARG  19          1HH2      ARG  19  -0.732  -6.699   0.294
  156   2HH2  ARG  19          2HH2      ARG  19  -0.304  -8.378   0.305
  157    H    ARG  20           H        ARG  20   0.150  -1.815  -3.883
  158    HA   ARG  20           HA       ARG  20   2.542  -2.013  -5.410
  159   1HB   ARG  20          2HB       ARG  20   1.335  -1.174  -7.217
  160   2HB   ARG  20          1HB       ARG  20   0.109  -1.953  -6.219
  161   1HG   ARG  20          2HG       ARG  20  -0.960   0.004  -5.837
  162   2HG   ARG  20          1HG       ARG  20   0.543   0.865  -5.507
  163   1HD   ARG  20          2HD       ARG  20   0.315   1.840  -7.527
  164   2HD   ARG  20          1HD       ARG  20   0.667   0.259  -8.231
  165    HE   ARG  20           HE       ARG  20  -2.042   0.152  -7.668
  166   1HH1  ARG  20          1HH1      ARG  20  -3.577   1.796  -8.504
  167   2HH1  ARG  20          2HH1      ARG  20  -3.175   2.472 -10.048
  168   1HH2  ARG  20          1HH2      ARG  20   0.060   1.227 -10.047
  169   2HH2  ARG  20          2HH2      ARG  20  -1.116   2.152 -10.920
  170    H    ARG  21           H        ARG  21   1.594   0.249  -3.100
  171    HA   ARG  21           HA       ARG  21   3.097   2.506  -4.201
  172   1HB   ARG  21          2HB       ARG  21   1.443   1.979  -1.873
  173   2HB   ARG  21          1HB       ARG  21   2.983   2.687  -1.365
  174   1HG   ARG  21          2HG       ARG  21   1.446   4.502  -1.812
  175   2HG   ARG  21          1HG       ARG  21   2.640   4.477  -3.111
  176   1HD   ARG  21          2HD       ARG  21   0.601   4.676  -4.270
  177   2HD   ARG  21          1HD       ARG  21   0.938   2.946  -4.345
  178    HE   ARG  21           HE       ARG  21  -0.604   2.874  -2.224
  179   1HH1  ARG  21          1HH1      ARG  21  -2.751   2.367  -3.399
  180   2HH1  ARG  21          2HH1      ARG  21  -3.612   3.793  -3.873
  181   1HH2  ARG  21          1HH2      ARG  21  -0.878   5.892  -3.479
  182   2HH2  ARG  21          2HH2      ARG  21  -2.550   5.790  -3.921
  183    H    PHE  22           H        PHE  22   3.553  -0.283  -2.173
  184    HA   PHE  22           HA       PHE  22   6.385   0.342  -1.693
  185   1HB   PHE  22          2HB       PHE  22   4.731  -2.015  -0.887
  186   2HB   PHE  22          1HB       PHE  22   6.376  -1.690  -0.338
  187    HD1  PHE  22          1HD       PHE  22   6.685   0.855   0.437
  188    HD2  PHE  22          2HD       PHE  22   3.019  -1.370   0.477
  189    HE1  PHE  22          1HE       PHE  22   5.747   2.433   2.092
  190    HE2  PHE  22          2HE       PHE  22   2.085   0.202   2.139
  191    HZ   PHE  22           HZ       PHE  22   3.456   2.089   2.910
  192    H    PHE  23           H        PHE  23   4.308  -1.436  -3.778
  193    HA   PHE  23           HA       PHE  23   5.367  -3.613  -4.857
  194   1HB   PHE  23          2HB       PHE  23   4.141  -1.324  -6.048
  195   2HB   PHE  23          1HB       PHE  23   5.411  -1.890  -7.117
  196    HD1  PHE  23          1HD       PHE  23   3.572  -4.083  -4.795
  197    HD2  PHE  23          2HD       PHE  23   3.988  -2.663  -8.823
  198    HE1  PHE  23          1HE       PHE  23   2.051  -5.869  -5.588
  199    HE2  PHE  23          2HE       PHE  23   2.476  -4.447  -9.612
  200    HZ   PHE  23           HZ       PHE  23   1.519  -6.015  -7.988
  201    H    LEU  24           H        LEU  24   6.698  -0.683  -6.347
  202    HA   LEU  24           HA       LEU  24   9.171  -1.941  -7.062
  203   1HB   LEU  24          2HB       LEU  24   8.671   1.031  -6.731
  204   2HB   LEU  24          1HB       LEU  24   9.895   0.263  -7.743
  205    HG   LEU  24           HG       LEU  24   7.287  -0.796  -8.387
  206   1HD1  LEU  24          1HD1      LEU  24   7.437   2.087  -7.854
  207   2HD1  LEU  24          3HD1      LEU  24   6.895   1.710  -9.489
  208   3HD1  LEU  24          2HD1      LEU  24   6.023   1.062  -8.100
  209   1HD2  LEU  24          1HD2      LEU  24   9.696   0.257  -9.656
  210   2HD2  LEU  24          3HD2      LEU  24   8.567  -0.964 -10.243
  211   3HD2  LEU  24          2HD2      LEU  24   8.235   0.746 -10.514
  212    H    HIS  25           H        HIS  25   8.194   0.100  -4.306
  213    HA   HIS  25           HA       HIS  25  10.736   0.548  -3.167
  214   1HB   HIS  25          2HB       HIS  25   8.402   1.324  -2.338
  215   2HB   HIS  25          1HB       HIS  25   8.363  -0.212  -1.465
  216    HD1  HIS  25          1HD       HIS  25   9.827   3.177  -1.365
  217    HD2  HIS  25          2HD       HIS  25  10.545  -0.496   0.471
  218    HE1  HIS  25          1HE       HIS  25  11.341   3.647   0.611
  219    H    HIS  26           H        HIS  26   8.657  -2.327  -2.943
  220    HA   HIS  26           HA       HIS  26  10.460  -3.741  -1.189
  221   1HB   HIS  26          2HB       HIS  26   7.859  -4.075  -1.813
  222   2HB   HIS  26          1HB       HIS  26   8.614  -5.289  -2.849
  223    HD1  HIS  26          1HD       HIS  26   9.736  -4.166   0.578
  224    HD2  HIS  26          2HD       HIS  26   8.359  -7.599  -1.336
  225    HE1  HIS  26          1HE       HIS  26   9.991  -6.046   2.233
  226    H    LEU  27           H        LEU  27   9.441  -4.507  -4.514
  227    HA   LEU  27           HA       LEU  27  11.494  -6.344  -5.077
  228   1HB   LEU  27          2HB       LEU  27  10.190  -4.436  -7.038
  229   2HB   LEU  27          1HB       LEU  27  10.991  -5.956  -7.434
  230    HG   LEU  27           HG       LEU  27   8.612  -5.777  -5.572
  231   1HD1  LEU  27          2HD1      LEU  27   8.760  -5.648  -8.487
  232   2HD1  LEU  27          1HD1      LEU  27   7.797  -7.015  -7.926
  233   3HD1  LEU  27          3HD1      LEU  27   7.379  -5.378  -7.423
  234   1HD2  LEU  27          3HD2      LEU  27  10.188  -7.990  -6.879
  235   2HD2  LEU  27          2HD2      LEU  27   9.741  -7.810  -5.183
  236   3HD2  LEU  27          1HD2      LEU  27   8.519  -8.252  -6.375
  237    H    ILE  28           H        ILE  28  11.492  -2.803  -5.498
  238    HA   ILE  28           HA       ILE  28  14.348  -2.964  -6.329
  239    HB   ILE  28           HB       ILE  28  12.455  -0.592  -6.311
  240   1HG1  ILE  28          2HG1      ILE  28  13.470  -2.183  -8.682
  241   2HG1  ILE  28          1HG1      ILE  28  11.921  -2.512  -7.905
  242   1HG2  ILE  28          3HG2      ILE  28  15.286  -0.757  -6.499
  243   2HG2  ILE  28          2HG2      ILE  28  14.686  -0.392  -8.115
  244   3HG2  ILE  28          1HG2      ILE  28  14.270   0.659  -6.762
  245   1HD1  ILE  28          3HD1      ILE  28  11.830   0.220  -8.248
  246   2HD1  ILE  28          2HD1      ILE  28  12.685  -0.311  -9.697
  247   3HD1  ILE  28          1HD1      ILE  28  11.085  -0.958  -9.329
  248    H    ALA  29           H        ALA  29  14.084  -3.622  -3.701
  249    HA   ALA  29           HA       ALA  29  15.815  -1.978  -2.314
  250   1HB   ALA  29          1HB       ALA  29  13.288  -0.678  -2.579
  251   2HB   ALA  29          3HB       ALA  29  13.482  -1.132  -0.888
  252   3HB   ALA  29          2HB       ALA  29  14.699  -0.129  -1.678
  253    H    GLU  30           H        GLU  30  16.290  -4.156  -1.629
  254    HA   GLU  30           HA       GLU  30  14.989  -4.877   0.867
  255   1HB   GLU  30          2HB       GLU  30  14.460  -7.252  -0.040
  256   2HB   GLU  30          1HB       GLU  30  13.325  -5.952  -0.416
  257   1HG   GLU  30          2HG       GLU  30  14.157  -5.719  -2.630
  258   2HG   GLU  30          1HG       GLU  30  15.603  -6.669  -2.269
  259    H    ILE  31           H        ILE  31  17.593  -4.228   0.470
  260    HA   ILE  31           HA       ILE  31  19.052  -6.830   0.355
  261    HB   ILE  31           HB       ILE  31  20.371  -4.133   0.396
  262   1HG1  ILE  31          2HG1      ILE  31  18.554  -4.208  -1.380
  263   2HG1  ILE  31          1HG1      ILE  31  20.186  -3.949  -1.999
  264   1HG2  ILE  31          3HG2      ILE  31  21.174  -6.878   0.090
  265   2HG2  ILE  31          2HG2      ILE  31  21.564  -5.998  -1.388
  266   3HG2  ILE  31          1HG2      ILE  31  22.191  -5.439   0.163
  267   1HD1  ILE  31          3HD1      ILE  31  19.425  -6.786  -1.740
  268   2HD1  ILE  31          2HD1      ILE  31  18.473  -5.884  -2.918
  269   3HD1  ILE  31          1HD1      ILE  31  20.228  -5.953  -3.071
  270    H    HIS  32           H        HIS  32  17.533  -6.112   2.612
  271    HA   HIS  32           HA       HIS  32  19.107  -6.752   4.769
  272   1HB   HIS  32          2HB       HIS  32  19.640  -4.020   3.889
  273   2HB   HIS  32          1HB       HIS  32  19.102  -4.079   5.572
  274    HD1  HIS  32          1HD       HIS  32  20.367  -6.313   6.871
  275    HD2  HIS  32          2HD       HIS  32  22.373  -4.343   3.792
  276    HE1  HIS  32          1HE       HIS  32  22.822  -6.872   7.142
  277    H    THR  33           H        THR  33  16.642  -7.429   4.479
  278    HA   THR  33           HA       THR  33  14.683  -5.546   5.513
  279    HB   THR  33           HB       THR  33  13.996  -8.381   5.782
  280    HG1  THR  33          1HG       THR  33  15.297  -8.811   4.113
  281   1HG2  THR  33          3HG2      THR  33  12.509  -6.280   5.585
  282   2HG2  THR  33          2HG2      THR  33  12.868  -6.347   3.860
  283   3HG2  THR  33          1HG2      THR  33  12.042  -7.695   4.640
  284    H    ALA  34           H        ALA  34  13.968  -5.332   7.627
  285    HA   ALA  34           HA       ALA  34  15.188  -7.147   9.662
  286   1HB   ALA  34          1HB       ALA  34  16.114  -4.645   9.343
  287   2HB   ALA  34          3HB       ALA  34  14.737  -4.290  10.388
  288   3HB   ALA  34          2HB       ALA  34  15.994  -5.402  10.932
   
  No H/Q in entry =         288
  Start of MODEL    6
    1   1H    ALA   1          1HT       ALA   1 -16.012 -16.714   2.354
    2   2H    ALA   1          3HT       ALA   1 -14.512 -16.800   1.569
    3   3H    ALA   1          2HT       ALA   1 -14.785 -15.605   2.746
    4    HA   ALA   1           HA       ALA   1 -14.914 -14.590   0.595
    5   1HB   ALA   1          1HB       ALA   1 -16.162 -17.096  -0.044
    6   2HB   ALA   1          3HB       ALA   1 -17.274 -15.789  -0.448
    7   3HB   ALA   1          2HB       ALA   1 -15.653 -15.814  -1.143
    8    H    VAL   2           H        VAL   2 -16.214 -12.760   0.533
    9    HA   VAL   2           HA       VAL   2 -17.736 -11.206   1.393
   10    HB   VAL   2           HB       VAL   2 -18.978 -13.263   0.087
   11   1HG1  VAL   2          2HG1      VAL   2 -19.663 -14.006   2.509
   12   2HG1  VAL   2          1HG1      VAL   2 -20.818 -12.680   2.388
   13   3HG1  VAL   2          3HG1      VAL   2 -20.877 -14.010   1.230
   14   1HG2  VAL   2          2HG2      VAL   2 -19.326 -10.511   0.554
   15   2HG2  VAL   2          1HG2      VAL   2 -20.100 -11.479  -0.701
   16   3HG2  VAL   2          3HG2      VAL   2 -20.902 -11.246   0.852
   17    H    SER   3           H        SER   3 -16.310 -13.136   3.322
   18    HA   SER   3           HA       SER   3 -17.908 -13.790   5.535
   19   1HB   SER   3          2HB       SER   3 -15.716 -14.504   5.808
   20   2HB   SER   3          1HB       SER   3 -15.039 -12.989   5.206
   21    HG   SER   3           HG       SER   3 -15.803 -13.724   7.750
   22    H    GLU   4           H        GLU   4 -17.930 -12.546   7.686
   23    HA   GLU   4           HA       GLU   4 -19.098  -9.934   7.225
   24   1HB   GLU   4          2HB       GLU   4 -19.897 -11.354   9.050
   25   2HB   GLU   4          1HB       GLU   4 -18.302 -11.328   9.799
   26   1HG   GLU   4          2HG       GLU   4 -19.164  -9.575  10.978
   27   2HG   GLU   4          1HG       GLU   4 -18.763  -8.661   9.523
   28    H    HIS   5           H        HIS   5 -16.328 -10.848   9.303
   29    HA   HIS   5           HA       HIS   5 -15.301  -8.314   9.729
   30   1HB   HIS   5          2HB       HIS   5 -14.460 -10.863  10.280
   31   2HB   HIS   5          1HB       HIS   5 -13.212 -10.261   9.189
   32    HD1  HIS   5          1HD       HIS   5 -12.466  -7.623   9.884
   33    HD2  HIS   5          2HD       HIS   5 -13.925 -10.137  12.868
   34    HE1  HIS   5          1HE       HIS   5 -11.703  -6.633  12.087
   35    H    GLN   6           H        GLN   6 -15.318 -10.068   6.747
   36    HA   GLN   6           HA       GLN   6 -13.207  -8.468   5.583
   37   1HB   GLN   6          2HB       GLN   6 -14.756 -10.792   4.835
   38   2HB   GLN   6          1HB       GLN   6 -14.477  -9.684   3.491
   39   1HG   GLN   6          2HG       GLN   6 -12.018  -9.655   4.337
   40   2HG   GLN   6          1HG       GLN   6 -12.465 -11.125   5.203
   41   1HE2  GLN   6          2HE2      GLN   6 -13.399 -12.643   1.887
   42   2HE2  GLN   6          1HE2      GLN   6 -14.293 -12.208   3.270
   43    H    LEU   7           H        LEU   7 -15.841  -7.397   6.583
   44    HA   LEU   7           HA       LEU   7 -16.882  -6.101   4.175
   45   1HB   LEU   7          2HB       LEU   7 -17.840  -6.414   6.995
   46   2HB   LEU   7          1HB       LEU   7 -18.406  -5.025   6.067
   47    HG   LEU   7           HG       LEU   7 -18.496  -7.662   4.695
   48   1HD1  LEU   7          2HD1      LEU   7 -19.304  -7.993   7.115
   49   2HD1  LEU   7          1HD1      LEU   7 -20.635  -6.916   6.693
   50   3HD1  LEU   7          3HD1      LEU   7 -20.430  -8.442   5.834
   51   1HD2  LEU   7          1HD2      LEU   7 -19.252  -5.470   3.712
   52   2HD2  LEU   7          3HD2      LEU   7 -20.515  -6.700   3.751
   53   3HD2  LEU   7          2HD2      LEU   7 -20.506  -5.406   4.950
   54    H    LEU   8           H        LEU   8 -16.057  -4.988   7.475
   55    HA   LEU   8           HA       LEU   8 -15.440  -2.364   6.668
   56   1HB   LEU   8          2HB       LEU   8 -15.893  -2.681   8.954
   57   2HB   LEU   8          1HB       LEU   8 -14.797  -4.053   9.039
   58    HG   LEU   8           HG       LEU   8 -12.879  -2.649   8.801
   59   1HD1  LEU   8          1HD1      LEU   8 -14.839  -0.915   7.611
   60   2HD1  LEU   8          3HD1      LEU   8 -13.955  -0.029   8.854
   61   3HD1  LEU   8          2HD1      LEU   8 -13.081  -0.801   7.530
   62   1HD2  LEU   8          1HD2      LEU   8 -14.917  -1.481  10.717
   63   2HD2  LEU   8          3HD2      LEU   8 -13.725  -2.731  11.073
   64   3HD2  LEU   8          2HD2      LEU   8 -13.200  -1.078  10.753
   65    H    HIS   9           H        HIS   9 -13.523  -5.270   7.253
   66    HA   HIS   9           HA       HIS   9 -11.109  -4.021   6.222
   67   1HB   HIS   9          2HB       HIS   9 -10.785  -5.444   8.076
   68   2HB   HIS   9          1HB       HIS   9 -11.730  -6.753   7.367
   69    HD1  HIS   9          1HD       HIS   9  -9.821  -8.489   7.122
   70    HD2  HIS   9          2HD       HIS   9  -8.981  -4.765   5.541
   71    HE1  HIS   9          1HE       HIS   9  -7.655  -8.761   5.824
   72    H    ASP  10           H        ASP  10 -13.284  -4.211   4.382
   73    HA   ASP  10           HA       ASP  10 -13.536  -6.307   2.650
   74   1HB   ASP  10          2HB       ASP  10 -14.569  -4.098   2.309
   75   2HB   ASP  10          1HB       ASP  10 -12.994  -3.441   1.852
   76    H    LYS  11           H        LYS  11 -11.565  -7.606   2.635
   77    HA   LYS  11           HA       LYS  11  -9.001  -6.690   1.969
   78   1HB   LYS  11          2HB       LYS  11  -9.594  -9.027   2.704
   79   2HB   LYS  11          1HB       LYS  11 -10.192  -9.326   1.067
   80   1HG   LYS  11          2HG       LYS  11  -7.850 -10.103   1.347
   81   2HG   LYS  11          1HG       LYS  11  -7.975  -8.821   0.142
   82   1HD   LYS  11          2HD       LYS  11  -7.029  -7.212   1.566
   83   2HD   LYS  11          1HD       LYS  11  -7.393  -8.146   3.018
   84   1HE   LYS  11          2HE       LYS  11  -5.738  -9.762   1.350
   85   2HE   LYS  11          1HE       LYS  11  -4.994  -8.167   1.455
   86   1HZ   LYS  11          3HZ       LYS  11  -5.882  -8.763   3.998
   87   2HZ   LYS  11          2HZ       LYS  11  -5.159 -10.192   3.429
   88   3HZ   LYS  11          1HZ       LYS  11  -4.274  -8.741   3.454
   89    H    GLY  12           H        GLY  12  -8.847  -5.213   0.276
   90   1HA   GLY  12          2HA       GLY  12  -8.491  -5.887  -2.334
   91   2HA   GLY  12          1HA       GLY  12 -10.246  -5.743  -2.258
   92    H    LYS  13           H        LYS  13  -9.554  -3.560  -0.047
   93    HA   LYS  13           HA       LYS  13  -9.862  -1.325  -1.792
   94   1HB   LYS  13          2HB       LYS  13  -8.795  -0.866   0.881
   95   2HB   LYS  13          1HB       LYS  13 -10.155  -0.079   0.093
   96   1HG   LYS  13          2HG       LYS  13 -11.410  -1.321   1.532
   97   2HG   LYS  13          1HG       LYS  13 -11.068  -2.657   0.426
   98   1HD   LYS  13          2HD       LYS  13  -9.457  -3.570   1.808
   99   2HD   LYS  13          1HD       LYS  13  -8.997  -2.006   2.471
  100   1HE   LYS  13          2HE       LYS  13 -11.763  -2.812   3.100
  101   2HE   LYS  13          1HE       LYS  13 -10.524  -3.854   3.799
  102   1HZ   LYS  13          1HZ       LYS  13 -10.413  -0.903   3.991
  103   2HZ   LYS  13          3HZ       LYS  13 -11.194  -1.859   5.154
  104   3HZ   LYS  13          2HZ       LYS  13  -9.527  -2.047   4.884
  105    H    SER  14           H        SER  14  -8.047   0.482  -0.525
  106    HA   SER  14           HA       SER  14  -5.823  -0.058  -2.241
  107   1HB   SER  14          2HB       SER  14  -5.768   2.078  -0.150
  108   2HB   SER  14          1HB       SER  14  -5.020   2.059  -1.751
  109    HG   SER  14           HG       SER  14  -7.261   3.160  -1.166
  110    H    ILE  15           H        ILE  15  -5.834  -2.132  -0.823
  111    HA   ILE  15           HA       ILE  15  -3.585  -1.937   1.109
  112    HB   ILE  15           HB       ILE  15  -5.058  -4.430   1.118
  113   1HG1  ILE  15          2HG1      ILE  15  -6.957  -3.011   0.462
  114   2HG1  ILE  15          1HG1      ILE  15  -7.144  -3.525   2.128
  115   1HG2  ILE  15          3HG2      ILE  15  -4.168  -2.346   3.070
  116   2HG2  ILE  15          2HG2      ILE  15  -5.338  -3.556   3.597
  117   3HG2  ILE  15          1HG2      ILE  15  -3.753  -4.059   3.008
  118   1HD1  ILE  15          3HD1      ILE  15  -5.602  -1.164   2.213
  119   2HD1  ILE  15          2HD1      ILE  15  -6.923  -0.852   1.088
  120   3HD1  ILE  15          1HD1      ILE  15  -7.273  -1.362   2.742
  121    H    GLN  16           H        GLN  16  -5.293  -3.691  -1.361
  122    HA   GLN  16           HA       GLN  16  -3.159  -5.403  -2.239
  123   1HB   GLN  16          2HB       GLN  16  -5.645  -4.224  -3.521
  124   2HB   GLN  16          1HB       GLN  16  -4.568  -5.319  -4.394
  125   1HG   GLN  16          2HG       GLN  16  -6.530  -6.467  -3.312
  126   2HG   GLN  16          1HG       GLN  16  -4.963  -7.090  -2.799
  127   1HE2  GLN  16          2HE2      GLN  16  -5.620  -6.404   0.579
  128   2HE2  GLN  16          1HE2      GLN  16  -4.749  -7.295  -0.573
  129    H    ASP  17           H        ASP  17  -4.237  -2.131  -2.668
  130    HA   ASP  17           HA       ASP  17  -2.256  -1.535  -4.761
  131   1HB   ASP  17          2HB       ASP  17  -4.690  -0.283  -3.685
  132   2HB   ASP  17          1HB       ASP  17  -3.382   0.871  -3.954
  133    H    LEU  18           H        LEU  18  -2.898  -0.854  -1.325
  134    HA   LEU  18           HA       LEU  18  -0.779   0.979  -0.857
  135   1HB   LEU  18          2HB       LEU  18  -2.259   0.427   0.979
  136   2HB   LEU  18          1HB       LEU  18  -1.855  -1.284   0.860
  137    HG   LEU  18           HG       LEU  18   0.575  -0.546   1.333
  138   1HD1  LEU  18          3HD1      LEU  18  -1.000   1.940   1.986
  139   2HD1  LEU  18          2HD1      LEU  18   0.508   1.577   2.825
  140   3HD1  LEU  18          1HD1      LEU  18   0.503   1.799   1.076
  141   1HD2  LEU  18          3HD2      LEU  18  -1.542  -1.329   2.965
  142   2HD2  LEU  18          2HD2      LEU  18   0.160  -1.306   3.426
  143   3HD2  LEU  18          1HD2      LEU  18  -0.872   0.075   3.796
  144    H    ARG  19           H        ARG  19  -0.895  -2.371  -1.622
  145    HA   ARG  19           HA       ARG  19   1.796  -3.147  -0.989
  146   1HB   ARG  19          2HB       ARG  19   0.436  -4.985  -1.342
  147   2HB   ARG  19          1HB       ARG  19  -0.545  -4.148  -2.527
  148   1HG   ARG  19          2HG       ARG  19   1.486  -4.323  -4.098
  149   2HG   ARG  19          1HG       ARG  19   2.118  -5.502  -2.951
  150   1HD   ARG  19          2HD       ARG  19   0.026  -5.793  -4.956
  151   2HD   ARG  19          1HD       ARG  19   0.896  -7.040  -4.068
  152    HE   ARG  19           HE       ARG  19  -0.849  -6.239  -2.174
  153   1HH1  ARG  19          1HH1      ARG  19  -2.315  -8.249  -2.416
  154   2HH1  ARG  19          2HH1      ARG  19  -3.507  -8.062  -3.661
  155   1HH2  ARG  19          1HH2      ARG  19  -1.934  -5.341  -5.126
  156   2HH2  ARG  19          2HH2      ARG  19  -3.290  -6.418  -5.196
  157    H    ARG  20           H        ARG  20   0.195  -2.030  -3.981
  158    HA   ARG  20           HA       ARG  20   2.598  -2.066  -5.503
  159   1HB   ARG  20          2HB       ARG  20   1.371  -1.186  -7.227
  160   2HB   ARG  20          1HB       ARG  20   0.076  -1.819  -6.214
  161   1HG   ARG  20          2HG       ARG  20  -0.655   0.281  -5.608
  162   2HG   ARG  20          1HG       ARG  20   0.953   0.996  -5.708
  163   1HD   ARG  20          2HD       ARG  20   0.409   1.785  -7.739
  164   2HD   ARG  20          1HD       ARG  20   0.380   0.115  -8.309
  165    HE   ARG  20           HE       ARG  20  -2.100   0.265  -7.340
  166   1HH1  ARG  20          1HH1      ARG  20  -3.810   1.803  -7.692
  167   2HH1  ARG  20          2HH1      ARG  20  -3.624   2.929  -8.996
  168   1HH2  ARG  20          1HH2      ARG  20  -0.318   2.078  -9.613
  169   2HH2  ARG  20          2HH2      ARG  20  -1.646   3.085 -10.085
  170    H    ARG  21           H        ARG  21   1.184   0.321  -3.335
  171    HA   ARG  21           HA       ARG  21   2.865   2.526  -3.985
  172   1HB   ARG  21          2HB       ARG  21   1.142   1.761  -1.812
  173   2HB   ARG  21          1HB       ARG  21   2.685   2.291  -1.130
  174   1HG   ARG  21          2HG       ARG  21   2.132   4.436  -1.523
  175   2HG   ARG  21          1HG       ARG  21   1.977   4.086  -3.245
  176   1HD   ARG  21          2HD       ARG  21  -0.140   4.974  -2.395
  177   2HD   ARG  21          1HD       ARG  21  -0.344   3.280  -2.843
  178    HE   ARG  21           HE       ARG  21  -0.145   2.751  -0.390
  179   1HH1  ARG  21          1HH1      ARG  21  -2.635   4.421  -1.038
  180   2HH1  ARG  21          2HH1      ARG  21  -2.600   5.573   0.256
  181   1HH2  ARG  21          1HH2      ARG  21   0.694   4.905   1.113
  182   2HH2  ARG  21          2HH2      ARG  21  -0.714   5.848   1.473
  183    H    PHE  22           H        PHE  22   3.375  -0.516  -2.417
  184    HA   PHE  22           HA       PHE  22   6.171   0.132  -1.764
  185   1HB   PHE  22          2HB       PHE  22   4.593  -2.364  -1.294
  186   2HB   PHE  22          1HB       PHE  22   6.201  -2.032  -0.651
  187    HD1  PHE  22          1HD       PHE  22   6.039   0.772   0.000
  188    HD2  PHE  22          2HD       PHE  22   3.124  -2.333   0.509
  189    HE1  PHE  22          1HE       PHE  22   4.969   2.077   1.800
  190    HE2  PHE  22          2HE       PHE  22   2.060  -1.029   2.321
  191    HZ   PHE  22           HZ       PHE  22   2.992   1.164   2.926
  192    H    PHE  23           H        PHE  23   4.165  -1.663  -3.988
  193    HA   PHE  23           HA       PHE  23   5.393  -3.608  -5.254
  194   1HB   PHE  23          2HB       PHE  23   4.023  -1.309  -6.340
  195   2HB   PHE  23          1HB       PHE  23   5.285  -1.840  -7.436
  196    HD1  PHE  23          1HD       PHE  23   3.602  -4.123  -5.101
  197    HD2  PHE  23          2HD       PHE  23   3.803  -2.606  -9.110
  198    HE1  PHE  23          1HE       PHE  23   2.130  -5.959  -5.875
  199    HE2  PHE  23          2HE       PHE  23   2.341  -4.439  -9.881
  200    HZ   PHE  23           HZ       PHE  23   1.517  -6.083  -8.259
  201    H    LEU  24           H        LEU  24   6.554  -0.310  -5.974
  202    HA   LEU  24           HA       LEU  24   9.057  -1.292  -7.091
  203   1HB   LEU  24          2HB       LEU  24   8.346   1.536  -6.259
  204   2HB   LEU  24          1HB       LEU  24   9.611   1.049  -7.386
  205    HG   LEU  24           HG       LEU  24   6.826   0.141  -7.964
  206   1HD1  LEU  24          1HD1      LEU  24   6.871   2.665  -7.296
  207   2HD1  LEU  24          3HD1      LEU  24   7.720   2.885  -8.826
  208   3HD1  LEU  24          2HD1      LEU  24   6.092   2.208  -8.811
  209   1HD2  LEU  24          2HD2      LEU  24   8.912  -0.418  -9.316
  210   2HD2  LEU  24          1HD2      LEU  24   7.591   0.302 -10.236
  211   3HD2  LEU  24          3HD2      LEU  24   8.976   1.286  -9.764
  212    H    HIS  25           H        HIS  25   8.114   0.420  -4.081
  213    HA   HIS  25           HA       HIS  25  10.768   0.533  -2.996
  214   1HB   HIS  25          2HB       HIS  25   7.999   0.717  -1.880
  215   2HB   HIS  25          1HB       HIS  25   9.328   0.451  -0.748
  216    HD1  HIS  25          1HD       HIS  25  10.307   2.573   0.095
  217    HD2  HIS  25          2HD       HIS  25   8.805   3.021  -3.768
  218    HE1  HIS  25          1HE       HIS  25  10.696   4.992  -0.549
  219    H    HIS  26           H        HIS  26   8.685  -2.104  -3.522
  220    HA   HIS  26           HA       HIS  26   9.667  -3.782  -1.372
  221   1HB   HIS  26          2HB       HIS  26   7.422  -3.826  -2.876
  222   2HB   HIS  26          1HB       HIS  26   8.412  -5.043  -3.685
  223    HD1  HIS  26          1HD       HIS  26   8.229  -4.189  -0.003
  224    HD2  HIS  26          2HD       HIS  26   7.603  -7.424  -2.550
  225    HE1  HIS  26          1HE       HIS  26   7.809  -6.180   1.478
  226    H    LEU  27           H        LEU  27   9.709  -4.336  -4.874
  227    HA   LEU  27           HA       LEU  27  11.644  -6.284  -5.032
  228   1HB   LEU  27          2HB       LEU  27  11.544  -3.931  -6.933
  229   2HB   LEU  27          1HB       LEU  27  12.085  -5.570  -7.291
  230    HG   LEU  27           HG       LEU  27   9.268  -4.676  -6.626
  231   1HD1  LEU  27          1HD1      LEU  27  10.403  -4.564  -9.012
  232   2HD1  LEU  27          3HD1      LEU  27  10.090  -6.299  -9.007
  233   3HD1  LEU  27          2HD1      LEU  27   8.753  -5.162  -8.835
  234   1HD2  LEU  27          3HD2      LEU  27  10.413  -7.467  -6.953
  235   2HD2  LEU  27          2HD2      LEU  27   9.734  -6.787  -5.473
  236   3HD2  LEU  27          1HD2      LEU  27   8.692  -7.093  -6.863
  237    H    ILE  28           H        ILE  28  12.289  -2.768  -4.903
  238    HA   ILE  28           HA       ILE  28  15.163  -3.105  -4.947
  239    HB   ILE  28           HB       ILE  28  13.606  -0.741  -3.871
  240   1HG1  ILE  28          2HG1      ILE  28  12.822  -1.430  -6.142
  241   2HG1  ILE  28          1HG1      ILE  28  13.637   0.136  -6.154
  242   1HG2  ILE  28          1HG2      ILE  28  16.042  -0.760  -3.430
  243   2HG2  ILE  28          3HG2      ILE  28  16.345  -0.982  -5.154
  244   3HG2  ILE  28          2HG2      ILE  28  15.604   0.510  -4.573
  245   1HD1  ILE  28          3HD1      ILE  28  15.611  -1.909  -6.504
  246   2HD1  ILE  28          2HD1      ILE  28  14.305  -2.193  -7.655
  247   3HD1  ILE  28          1HD1      ILE  28  15.139  -0.640  -7.633
  248    H    ALA  29           H        ALA  29  12.809  -3.533  -2.501
  249    HA   ALA  29           HA       ALA  29  14.679  -4.414  -0.580
  250   1HB   ALA  29          3HB       ALA  29  14.629  -1.626  -0.728
  251   2HB   ALA  29          2HB       ALA  29  13.619  -2.006   0.666
  252   3HB   ALA  29          1HB       ALA  29  15.283  -2.584   0.600
  253    H    GLU  30           H        GLU  30  13.614  -5.252   1.288
  254    HA   GLU  30           HA       GLU  30  10.731  -4.723   1.612
  255   1HB   GLU  30          2HB       GLU  30  10.434  -7.343   1.603
  256   2HB   GLU  30          1HB       GLU  30  10.402  -6.451   0.078
  257   1HG   GLU  30          2HG       GLU  30  12.509  -7.183  -0.557
  258   2HG   GLU  30          1HG       GLU  30  13.046  -7.409   1.112
  259    H    ILE  31           H        ILE  31  10.341  -4.668   3.771
  260    HA   ILE  31           HA       ILE  31  10.816  -4.836   6.076
  261    HB   ILE  31           HB       ILE  31  11.570  -7.678   5.493
  262   1HG1  ILE  31          2HG1      ILE  31   9.656  -7.010   3.995
  263   2HG1  ILE  31          1HG1      ILE  31   9.238  -8.261   5.166
  264   1HG2  ILE  31          2HG2      ILE  31  10.643  -6.096   7.752
  265   2HG2  ILE  31          1HG2      ILE  31   9.602  -7.492   7.477
  266   3HG2  ILE  31          3HG2      ILE  31  11.330  -7.719   7.738
  267   1HD1  ILE  31          1HD1      ILE  31   8.770  -5.314   5.673
  268   2HD1  ILE  31          3HD1      ILE  31   7.550  -6.374   4.966
  269   3HD1  ILE  31          2HD1      ILE  31   8.143  -6.677   6.599
  270    H    HIS  32           H        HIS  32  12.994  -3.905   4.590
  271    HA   HIS  32           HA       HIS  32  15.318  -3.594   4.739
  272   1HB   HIS  32          2HB       HIS  32  14.293  -3.912   7.360
  273   2HB   HIS  32          1HB       HIS  32  15.783  -4.859   7.288
  274    HD1  HIS  32          1HD       HIS  32  17.620  -3.425   8.168
  275    HD2  HIS  32          2HD       HIS  32  15.031  -1.262   5.717
  276    HE1  HIS  32          1HE       HIS  32  18.595  -1.094   7.975
  277    H    THR  33           H        THR  33  14.618  -5.831   3.311
  278    HA   THR  33           HA       THR  33  15.299  -8.017   2.717
  279    HB   THR  33           HB       THR  33  17.179  -6.594   1.978
  280    HG1  THR  33          1HG       THR  33  18.739  -8.256   2.004
  281   1HG2  THR  33          2HG2      THR  33  18.190  -7.127   4.781
  282   2HG2  THR  33          1HG2      THR  33  19.209  -6.508   3.481
  283   3HG2  THR  33          3HG2      THR  33  17.835  -5.561   4.051
  284    H    ALA  34           H        ALA  34  14.212  -8.178   5.217
  285    HA   ALA  34           HA       ALA  34  15.914 -10.262   6.458
  286   1HB   ALA  34          2HB       ALA  34  15.357  -7.628   7.627
  287   2HB   ALA  34          1HB       ALA  34  14.893  -8.963   8.682
  288   3HB   ALA  34          3HB       ALA  34  16.553  -8.836   8.100
   
  No H/Q in entry =         288
  Start of MODEL    7
    1   1H    ALA   1          2HT       ALA   1  -6.680   7.898 -11.167
    2   2H    ALA   1          1HT       ALA   1  -6.693   6.506 -10.194
    3   3H    ALA   1          3HT       ALA   1  -8.144   7.097 -10.844
    4    HA   ALA   1           HA       ALA   1  -8.212   7.799  -8.641
    5   1HB   ALA   1          1HB       ALA   1  -5.316   8.612  -9.045
    6   2HB   ALA   1          3HB       ALA   1  -6.251   8.895  -7.575
    7   3HB   ALA   1          2HB       ALA   1  -5.888   7.246  -8.087
    8    H    VAL   2           H        VAL   2  -9.731   9.264  -9.520
    9    HA   VAL   2           HA       VAL   2  -9.362  11.409 -11.210
   10    HB   VAL   2           HB       VAL   2 -11.564  10.838 -10.322
   11   1HG1  VAL   2          3HG1      VAL   2 -10.546  10.409  -7.971
   12   2HG1  VAL   2          2HG1      VAL   2 -10.790  12.137  -7.712
   13   3HG1  VAL   2          1HG1      VAL   2 -12.169  11.093  -8.057
   14   1HG2  VAL   2          3HG2      VAL   2 -10.459  13.586 -10.115
   15   2HG2  VAL   2          2HG2      VAL   2 -11.828  12.991 -11.054
   16   3HG2  VAL   2          1HG2      VAL   2 -12.019  13.328  -9.333
   17    H    SER   3           H        SER   3  -8.864  11.465  -7.668
   18    HA   SER   3           HA       SER   3  -7.842  14.186  -7.716
   19   1HB   SER   3          2HB       SER   3  -7.261  13.758  -5.358
   20   2HB   SER   3          1HB       SER   3  -8.906  13.223  -5.701
   21    HG   SER   3           HG       SER   3  -6.841  11.391  -6.086
   22    H    GLU   4           H        GLU   4  -5.601  14.783  -7.306
   23    HA   GLU   4           HA       GLU   4  -3.699  13.454  -8.902
   24   1HB   GLU   4          2HB       GLU   4  -3.324  15.734  -8.186
   25   2HB   GLU   4          1HB       GLU   4  -3.266  15.245  -6.497
   26   1HG   GLU   4          2HG       GLU   4  -1.077  14.761  -6.673
   27   2HG   GLU   4          1HG       GLU   4  -1.400  13.666  -8.018
   28    H    HIS   5           H        HIS   5  -2.582  13.724  -5.618
   29    HA   HIS   5           HA       HIS   5  -1.788  10.950  -5.680
   30   1HB   HIS   5          2HB       HIS   5  -1.017  13.311  -4.241
   31   2HB   HIS   5          1HB       HIS   5  -1.218  11.941  -3.150
   32    HD1  HIS   5          1HD       HIS   5   0.006   9.630  -4.167
   33    HD2  HIS   5          2HD       HIS   5   1.440  13.324  -5.451
   34    HE1  HIS   5          1HE       HIS   5   2.325   9.212  -5.097
   35    H    GLN   6           H        GLN   6  -4.267  12.866  -4.156
   36    HA   GLN   6           HA       GLN   6  -5.046  11.357  -1.989
   37   1HB   GLN   6          2HB       GLN   6  -6.372  13.090  -3.864
   38   2HB   GLN   6          1HB       GLN   6  -7.449  11.811  -3.309
   39   1HG   GLN   6          2HG       GLN   6  -5.793  13.575  -1.487
   40   2HG   GLN   6          1HG       GLN   6  -7.503  13.832  -1.836
   41   1HE2  GLN   6          2HE2      GLN   6  -8.425  10.708  -0.110
   42   2HE2  GLN   6          1HE2      GLN   6  -8.743  11.472  -1.602
   43    H    LEU   7           H        LEU   7  -6.757   9.617  -1.850
   44    HA   LEU   7           HA       LEU   7  -7.657   7.552  -2.534
   45   1HB   LEU   7          2HB       LEU   7  -7.391   9.045  -4.965
   46   2HB   LEU   7          1HB       LEU   7  -6.858   7.391  -5.268
   47    HG   LEU   7           HG       LEU   7  -9.087   6.942  -3.765
   48   1HD1  LEU   7          1HD1      LEU   7  -9.385   9.577  -5.174
   49   2HD1  LEU   7          3HD1      LEU   7 -10.779   8.504  -5.057
   50   3HD1  LEU   7          2HD1      LEU   7  -9.988   9.084  -3.591
   51   1HD2  LEU   7          2HD2      LEU   7  -8.651   7.209  -6.738
   52   2HD2  LEU   7          1HD2      LEU   7  -8.776   5.739  -5.773
   53   3HD2  LEU   7          3HD2      LEU   7 -10.215   6.704  -6.100
   54    H    LEU   8           H        LEU   8  -4.540   8.250  -4.234
   55    HA   LEU   8           HA       LEU   8  -3.635   5.599  -4.188
   56   1HB   LEU   8          2HB       LEU   8  -2.648   7.169  -5.676
   57   2HB   LEU   8          1HB       LEU   8  -2.233   8.228  -4.331
   58    HG   LEU   8           HG       LEU   8  -0.727   6.577  -3.434
   59   1HD1  LEU   8          3HD1      LEU   8  -2.263   4.889  -5.193
   60   2HD1  LEU   8          2HD1      LEU   8  -0.541   4.692  -5.534
   61   3HD1  LEU   8          1HD1      LEU   8  -1.157   4.414  -3.904
   62   1HD2  LEU   8          1HD2      LEU   8  -0.297   8.063  -5.697
   63   2HD2  LEU   8          3HD2      LEU   8   0.960   7.142  -4.870
   64   3HD2  LEU   8          2HD2      LEU   8   0.124   6.447  -6.259
   65    H    HIS   9           H        HIS   9  -3.543   8.158  -1.794
   66    HA   HIS   9           HA       HIS   9  -1.843   6.522  -0.075
   67   1HB   HIS   9          2HB       HIS   9  -2.780   9.358   0.188
   68   2HB   HIS   9          1HB       HIS   9  -1.718   8.569   1.367
   69    HD1  HIS   9          1HD       HIS   9   0.530   9.738   0.810
   70    HD2  HIS   9          2HD       HIS   9  -1.543   8.300  -2.466
   71    HE1  HIS   9          1HE       HIS   9   2.091  10.027  -1.173
   72    H    ASP  10           H        ASP  10  -4.940   7.818  -0.477
   73    HA   ASP  10           HA       ASP  10  -6.377   7.725   1.784
   74   1HB   ASP  10          2HB       ASP  10  -7.429   8.050  -0.279
   75   2HB   ASP  10          1HB       ASP  10  -6.836   6.524  -0.927
   76    H    LYS  11           H        LYS  11  -5.861   6.344   3.495
   77    HA   LYS  11           HA       LYS  11  -5.090   3.626   3.247
   78   1HB   LYS  11          2HB       LYS  11  -5.814   5.464   5.408
   79   2HB   LYS  11          1HB       LYS  11  -6.302   3.798   5.734
   80   1HG   LYS  11          2HG       LYS  11  -3.540   4.402   4.696
   81   2HG   LYS  11          1HG       LYS  11  -3.898   4.545   6.416
   82   1HD   LYS  11          2HD       LYS  11  -4.593   2.057   4.849
   83   2HD   LYS  11          1HD       LYS  11  -3.013   2.269   5.605
   84   1HE   LYS  11          2HE       LYS  11  -4.378   2.841   7.750
   85   2HE   LYS  11          1HE       LYS  11  -5.715   2.050   6.917
   86   1HZ   LYS  11          2HZ       LYS  11  -3.046   0.828   7.364
   87   2HZ   LYS  11          1HZ       LYS  11  -4.417   0.527   8.322
   88   3HZ   LYS  11          3HZ       LYS  11  -4.409   0.069   6.690
   89    H    GLY  12           H        GLY  12  -6.397   2.093   2.303
   90   1HA   GLY  12          2HA       GLY  12  -8.495   0.762   3.134
   91   2HA   GLY  12          1HA       GLY  12  -9.335   2.277   2.783
   92    H    LYS  13           H        LYS  13  -7.246   2.620   0.546
   93    HA   LYS  13           HA       LYS  13  -8.831   1.569  -1.585
   94   1HB   LYS  13          2HB       LYS  13  -6.258   2.990  -1.365
   95   2HB   LYS  13          1HB       LYS  13  -6.673   2.229  -2.900
   96   1HG   LYS  13          2HG       LYS  13  -8.631   4.020  -1.471
   97   2HG   LYS  13          1HG       LYS  13  -7.393   4.693  -2.535
   98   1HD   LYS  13          2HD       LYS  13  -8.546   4.072  -4.369
   99   2HD   LYS  13          1HD       LYS  13  -8.667   2.412  -3.777
  100   1HE   LYS  13          2HE       LYS  13 -10.906   2.962  -3.767
  101   2HE   LYS  13          1HE       LYS  13 -10.474   3.525  -2.152
  102   1HZ   LYS  13          3HZ       LYS  13 -10.354   5.271  -4.540
  103   2HZ   LYS  13          2HZ       LYS  13 -11.746   5.133  -3.578
  104   3HZ   LYS  13          1HZ       LYS  13 -10.303   5.730  -2.908
  105    H    SER  14           H        SER  14  -8.702  -0.572  -0.367
  106    HA   SER  14           HA       SER  14  -7.817  -2.745  -0.346
  107   1HB   SER  14          2HB       SER  14  -6.828  -2.509  -3.098
  108   2HB   SER  14          1HB       SER  14  -8.031  -3.619  -2.435
  109    HG   SER  14           HG       SER  14  -8.966  -2.137  -3.897
  110    H    ILE  15           H        ILE  15  -6.094  -2.693   1.014
  111    HA   ILE  15           HA       ILE  15  -3.688  -1.417   0.797
  112    HB   ILE  15           HB       ILE  15  -4.545  -3.949   1.947
  113   1HG1  ILE  15          2HG1      ILE  15  -4.028  -1.416   2.752
  114   2HG1  ILE  15          1HG1      ILE  15  -4.058  -2.790   3.842
  115   1HG2  ILE  15          2HG2      ILE  15  -1.610  -3.494   1.330
  116   2HG2  ILE  15          1HG2      ILE  15  -2.214  -4.696   2.470
  117   3HG2  ILE  15          3HG2      ILE  15  -2.599  -4.836   0.754
  118   1HD1  ILE  15          1HD1      ILE  15  -1.579  -1.749   2.427
  119   2HD1  ILE  15          3HD1      ILE  15  -2.003  -1.381   4.101
  120   3HD1  ILE  15          2HD1      ILE  15  -1.624  -3.040   3.632
  121    H    GLN  16           H        GLN  16  -4.919  -3.985  -1.121
  122    HA   GLN  16           HA       GLN  16  -2.978  -5.028  -2.735
  123   1HB   GLN  16          2HB       GLN  16  -5.251  -3.424  -3.950
  124   2HB   GLN  16          1HB       GLN  16  -4.588  -4.969  -4.508
  125   1HG   GLN  16          2HG       GLN  16  -6.372  -4.436  -2.126
  126   2HG   GLN  16          1HG       GLN  16  -6.683  -5.491  -3.504
  127   1HE2  GLN  16          2HE2      GLN  16  -5.261  -7.295  -0.364
  128   2HE2  GLN  16          1HE2      GLN  16  -6.327  -5.974  -0.418
  129    H    ASP  17           H        ASP  17  -4.214  -1.691  -2.662
  130    HA   ASP  17           HA       ASP  17  -2.243  -0.857  -4.693
  131   1HB   ASP  17          2HB       ASP  17  -4.691   0.223  -3.600
  132   2HB   ASP  17          1HB       ASP  17  -3.407   1.430  -3.502
  133    H    LEU  18           H        LEU  18  -2.841  -0.103  -1.224
  134    HA   LEU  18           HA       LEU  18  -0.598   1.527  -0.764
  135   1HB   LEU  18          2HB       LEU  18  -2.208  -0.335   0.860
  136   2HB   LEU  18          1HB       LEU  18  -0.549  -0.162   1.430
  137    HG   LEU  18           HG       LEU  18  -2.180   1.507   2.411
  138   1HD1  LEU  18          2HD1      LEU  18   0.449   1.876   1.370
  139   2HD1  LEU  18          1HD1      LEU  18  -0.447   3.370   1.092
  140   3HD1  LEU  18          3HD1      LEU  18  -0.309   2.716   2.724
  141   1HD2  LEU  18          3HD2      LEU  18  -2.873   1.785  -0.324
  142   2HD2  LEU  18          2HD2      LEU  18  -3.512   2.703   1.040
  143   3HD2  LEU  18          1HD2      LEU  18  -2.113   3.304   0.152
  144    H    ARG  19           H        ARG  19  -0.889  -1.828  -1.501
  145    HA   ARG  19           HA       ARG  19   1.774  -2.713  -0.899
  146   1HB   ARG  19          2HB       ARG  19   0.340  -4.500  -1.243
  147   2HB   ARG  19          1HB       ARG  19  -0.608  -3.634  -2.438
  148   1HG   ARG  19          2HG       ARG  19   1.286  -3.909  -4.061
  149   2HG   ARG  19          1HG       ARG  19   2.093  -4.938  -2.873
  150   1HD   ARG  19          2HD       ARG  19  -0.328  -5.474  -4.527
  151   2HD   ARG  19          1HD       ARG  19   0.960  -6.573  -4.036
  152    HE   ARG  19           HE       ARG  19  -1.311  -5.744  -2.280
  153   1HH1  ARG  19          1HH1      ARG  19  -0.604  -6.753  -0.162
  154   2HH1  ARG  19          2HH1      ARG  19  -0.142  -8.417  -0.289
  155   1HH2  ARG  19          1HH2      ARG  19   0.096  -8.361  -3.748
  156   2HH2  ARG  19          2HH2      ARG  19   0.260  -9.326  -2.318
  157    H    ARG  20           H        ARG  20   0.198  -1.743  -3.966
  158    HA   ARG  20           HA       ARG  20   2.555  -1.835  -5.515
  159   1HB   ARG  20          2HB       ARG  20   1.346  -0.790  -7.211
  160   2HB   ARG  20          1HB       ARG  20   0.089  -1.552  -6.235
  161   1HG   ARG  20          2HG       ARG  20  -0.570   0.495  -5.270
  162   2HG   ARG  20          1HG       ARG  20   0.934   1.300  -5.722
  163   1HD   ARG  20          2HD       ARG  20  -0.722   0.168  -7.927
  164   2HD   ARG  20          1HD       ARG  20  -1.314   1.635  -7.139
  165    HE   ARG  20           HE       ARG  20   1.511   1.672  -8.009
  166   1HH1  ARG  20          1HH1      ARG  20  -0.919   1.536 -10.077
  167   2HH1  ARG  20          2HH1      ARG  20  -0.945   3.200 -10.554
  168   1HH2  ARG  20          1HH2      ARG  20   1.118   4.246  -7.971
  169   2HH2  ARG  20          2HH2      ARG  20   0.212   4.734  -9.363
  170    H    ARG  21           H        ARG  21   1.385   0.642  -3.306
  171    HA   ARG  21           HA       ARG  21   3.171   2.727  -4.150
  172   1HB   ARG  21          2HB       ARG  21   1.353   2.367  -2.036
  173   2HB   ARG  21          1HB       ARG  21   2.926   2.506  -1.241
  174   1HG   ARG  21          2HG       ARG  21   2.974   4.721  -1.623
  175   2HG   ARG  21          1HG       ARG  21   2.734   4.463  -3.352
  176   1HD   ARG  21          2HD       ARG  21   0.849   5.735  -2.705
  177   2HD   ARG  21          1HD       ARG  21   0.250   4.077  -2.749
  178    HE   ARG  21           HE       ARG  21  -0.344   4.551  -0.515
  179   1HH1  ARG  21          1HH1      ARG  21   2.189   3.567   0.500
  180   2HH1  ARG  21          2HH1      ARG  21   2.853   4.923   1.348
  181   1HH2  ARG  21          1HH2      ARG  21   0.774   7.236  -0.192
  182   2HH2  ARG  21          2HH2      ARG  21   2.048   7.005   0.957
  183    H    PHE  22           H        PHE  22   3.486  -0.236  -2.394
  184    HA   PHE  22           HA       PHE  22   6.332   0.265  -1.806
  185   1HB   PHE  22          2HB       PHE  22   4.564  -2.043  -1.106
  186   2HB   PHE  22          1HB       PHE  22   6.201  -1.783  -0.497
  187    HD1  PHE  22          1HD       PHE  22   6.399   0.965   0.038
  188    HD2  PHE  22          2HD       PHE  22   2.995  -1.600   0.515
  189    HE1  PHE  22          1HE       PHE  22   5.451   2.537   1.690
  190    HE2  PHE  22          2HE       PHE  22   2.049  -0.032   2.176
  191    HZ   PHE  22           HZ       PHE  22   3.285   2.022   2.728
  192    H    PHE  23           H        PHE  23   4.210  -1.421  -3.963
  193    HA   PHE  23           HA       PHE  23   5.235  -3.595  -5.072
  194   1HB   PHE  23          2HB       PHE  23   4.121  -1.236  -6.283
  195   2HB   PHE  23          1HB       PHE  23   5.363  -1.896  -7.327
  196    HD1  PHE  23          1HD       PHE  23   3.897  -2.605  -9.036
  197    HD2  PHE  23          2HD       PHE  23   3.395  -3.945  -4.988
  198    HE1  PHE  23          1HE       PHE  23   2.291  -4.320  -9.805
  199    HE2  PHE  23          2HE       PHE  23   1.788  -5.664  -5.763
  200    HZ   PHE  23           HZ       PHE  23   1.253  -5.817  -8.161
  201    H    LEU  24           H        LEU  24   6.676  -0.702  -6.535
  202    HA   LEU  24           HA       LEU  24   9.131  -2.034  -7.177
  203   1HB   LEU  24          2HB       LEU  24   8.068   0.726  -7.338
  204   2HB   LEU  24          1HB       LEU  24   9.824   0.605  -7.206
  205    HG   LEU  24           HG       LEU  24   9.957  -0.799  -9.149
  206   1HD1  LEU  24          3HD1      LEU  24   6.977  -0.987  -8.766
  207   2HD1  LEU  24          2HD1      LEU  24   7.688  -1.281 -10.354
  208   3HD1  LEU  24          1HD1      LEU  24   8.151  -2.286  -8.980
  209   1HD2  LEU  24          1HD2      LEU  24   8.473   1.741  -9.254
  210   2HD2  LEU  24          3HD2      LEU  24   9.855   1.209 -10.211
  211   3HD2  LEU  24          2HD2      LEU  24   8.224   0.720 -10.669
  212    H    HIS  25           H        HIS  25   8.127   0.026  -4.449
  213    HA   HIS  25           HA       HIS  25  10.670   0.418  -3.266
  214   1HB   HIS  25          2HB       HIS  25   8.222   1.181  -2.541
  215   2HB   HIS  25          1HB       HIS  25   8.354  -0.230  -1.486
  216    HD1  HIS  25          1HD       HIS  25   8.563   3.005  -0.791
  217    HD2  HIS  25          2HD       HIS  25  11.600   0.149  -0.744
  218    HE1  HIS  25          1HE       HIS  25  10.375   3.910   0.731
  219    H    HIS  26           H        HIS  26   8.443  -2.347  -2.958
  220    HA   HIS  26           HA       HIS  26   9.998  -3.829  -1.099
  221   1HB   HIS  26          2HB       HIS  26   7.561  -4.182  -2.164
  222   2HB   HIS  26          1HB       HIS  26   8.499  -5.324  -3.130
  223    HD1  HIS  26          1HD       HIS  26   9.139  -4.419   0.472
  224    HD2  HIS  26          2HD       HIS  26   7.936  -7.705  -1.786
  225    HE1  HIS  26          1HE       HIS  26   9.137  -6.391   2.039
  226    H    LEU  27           H        LEU  27   9.582  -4.636  -4.541
  227    HA   LEU  27           HA       LEU  27  11.722  -6.394  -4.797
  228   1HB   LEU  27          2HB       LEU  27  10.861  -4.351  -6.868
  229   2HB   LEU  27          1HB       LEU  27  11.721  -5.858  -7.185
  230    HG   LEU  27           HG       LEU  27   8.950  -5.634  -5.973
  231   1HD1  LEU  27          2HD1      LEU  27   9.708  -5.383  -8.628
  232   2HD1  LEU  27          1HD1      LEU  27   9.294  -7.092  -8.489
  233   3HD1  LEU  27          3HD1      LEU  27   8.107  -5.859  -8.061
  234   1HD2  LEU  27          3HD2      LEU  27  10.613  -8.042  -6.778
  235   2HD2  LEU  27          2HD2      LEU  27  10.207  -7.573  -5.126
  236   3HD2  LEU  27          1HD2      LEU  27   8.938  -8.102  -6.230
  237    H    ILE  28           H        ILE  28  11.814  -2.910  -4.516
  238    HA   ILE  28           HA       ILE  28  14.609  -2.693  -5.365
  239    HB   ILE  28           HB       ILE  28  12.650  -0.782  -4.075
  240   1HG1  ILE  28          2HG1      ILE  28  12.391  -1.307  -6.492
  241   2HG1  ILE  28          1HG1      ILE  28  12.855   0.375  -6.231
  242   1HG2  ILE  28          1HG2      ILE  28  14.950  -0.346  -3.224
  243   2HG2  ILE  28          3HG2      ILE  28  15.520  -0.224  -4.888
  244   3HG2  ILE  28          2HG2      ILE  28  14.367   0.954  -4.262
  245   1HD1  ILE  28          3HD1      ILE  28  15.230  -1.233  -6.407
  246   2HD1  ILE  28          2HD1      ILE  28  14.204  -1.567  -7.803
  247   3HD1  ILE  28          1HD1      ILE  28  14.716   0.086  -7.458
  248    H    ALA  29           H        ALA  29  12.920  -3.478  -2.477
  249    HA   ALA  29           HA       ALA  29  15.066  -4.375  -0.998
  250   1HB   ALA  29          1HB       ALA  29  14.688  -1.395  -0.706
  251   2HB   ALA  29          3HB       ALA  29  15.374  -2.361   0.601
  252   3HB   ALA  29          2HB       ALA  29  16.186  -2.289  -0.963
  253    H    GLU  30           H        GLU  30  14.206  -5.389   0.777
  254    HA   GLU  30           HA       GLU  30  11.375  -5.179   1.294
  255   1HB   GLU  30          2HB       GLU  30  11.864  -6.735   3.184
  256   2HB   GLU  30          1HB       GLU  30  12.550  -7.286   1.651
  257   1HG   GLU  30          2HG       GLU  30  14.617  -7.247   2.524
  258   2HG   GLU  30          1HG       GLU  30  14.434  -5.543   2.950
  259    H    ILE  31           H        ILE  31  12.043  -2.622   1.610
  260    HA   ILE  31           HA       ILE  31  12.263  -0.830   3.126
  261    HB   ILE  31           HB       ILE  31  10.641  -2.660   4.897
  262   1HG1  ILE  31          2HG1      ILE  31   8.810  -1.183   3.484
  263   2HG1  ILE  31          1HG1      ILE  31  10.029  -1.504   2.250
  264   1HG2  ILE  31          2HG2      ILE  31  10.893   0.331   4.546
  265   2HG2  ILE  31          1HG2      ILE  31   9.517  -0.398   5.374
  266   3HG2  ILE  31          3HG2      ILE  31  11.148  -0.619   6.009
  267   1HD1  ILE  31          1HD1      ILE  31   9.930  -3.925   2.821
  268   2HD1  ILE  31          3HD1      ILE  31   8.644  -3.575   3.978
  269   3HD1  ILE  31          2HD1      ILE  31   8.377  -3.309   2.255
  270    H    HIS  32           H        HIS  32  14.382  -2.731   3.261
  271    HA   HIS  32           HA       HIS  32  15.091  -3.626   5.817
  272   1HB   HIS  32          2HB       HIS  32  17.453  -3.412   5.050
  273   2HB   HIS  32          1HB       HIS  32  16.420  -4.182   3.841
  274    HD1  HIS  32          1HD       HIS  32  18.911  -2.850   2.784
  275    HD2  HIS  32          2HD       HIS  32  15.329  -0.776   3.275
  276    HE1  HIS  32          1HE       HIS  32  19.034  -0.840   1.249
  277    H    THR  33           H        THR  33  14.339  -2.017   7.338
  278    HA   THR  33           HA       THR  33  14.468  -0.011   8.577
  279    HB   THR  33           HB       THR  33  16.688   0.429   9.417
  280    HG1  THR  33          1HG       THR  33  18.494  -0.405   8.340
  281   1HG2  THR  33          3HG2      THR  33  15.502  -2.051   9.481
  282   2HG2  THR  33          2HG2      THR  33  17.124  -2.436   8.906
  283   3HG2  THR  33          1HG2      THR  33  16.909  -1.584  10.435
  284    H    ALA  34           H        ALA  34  13.484   1.138   6.656
  285    HA   ALA  34           HA       ALA  34  15.395   2.755   5.079
  286   1HB   ALA  34          2HB       ALA  34  12.779   1.732   4.637
  287   2HB   ALA  34          1HB       ALA  34  12.654   3.491   4.629
  288   3HB   ALA  34          3HB       ALA  34  13.768   2.681   3.527
   
  No H/Q in entry =         288
  Start of MODEL    8
    1   1H    ALA   1          3HT       ALA   1  -1.123  -4.657  21.112
    2   2H    ALA   1          2HT       ALA   1  -2.349  -4.706  22.287
    3   3H    ALA   1          1HT       ALA   1  -2.572  -5.476  20.789
    4    HA   ALA   1           HA       ALA   1  -3.808  -3.420  20.826
    5   1HB   ALA   1          1HB       ALA   1  -1.732  -2.524  22.393
    6   2HB   ALA   1          3HB       ALA   1  -1.397  -1.728  20.854
    7   3HB   ALA   1          2HB       ALA   1  -2.951  -1.485  21.652
    8    H    VAL   2           H        VAL   2  -3.656  -4.735  18.738
    9    HA   VAL   2           HA       VAL   2  -1.780  -4.538  16.748
   10    HB   VAL   2           HB       VAL   2  -4.713  -4.163  16.299
   11   1HG1  VAL   2          1HG1      VAL   2  -2.389  -4.968  14.590
   12   2HG1  VAL   2          3HG1      VAL   2  -3.995  -5.593  14.221
   13   3HG1  VAL   2          2HG1      VAL   2  -3.704  -3.855  14.217
   14   1HG2  VAL   2          3HG2      VAL   2  -3.203  -6.384  17.394
   15   2HG2  VAL   2          2HG2      VAL   2  -4.951  -6.195  17.249
   16   3HG2  VAL   2          1HG2      VAL   2  -4.019  -6.843  15.899
   17    H    SER   3           H        SER   3  -1.641  -3.074  14.828
   18    HA   SER   3           HA       SER   3  -1.135  -0.415  15.458
   19   1HB   SER   3          2HB       SER   3  -0.480  -0.502  13.301
   20   2HB   SER   3          1HB       SER   3  -1.432  -1.963  13.038
   21    HG   SER   3           HG       SER   3  -2.285  -0.429  11.711
   22    H    GLU   4           H        GLU   4  -2.464   1.132  16.250
   23    HA   GLU   4           HA       GLU   4  -5.259   0.923  16.525
   24   1HB   GLU   4          2HB       GLU   4  -3.883   2.575  17.742
   25   2HB   GLU   4          1HB       GLU   4  -3.621   3.460  16.244
   26   1HG   GLU   4          2HG       GLU   4  -6.451   2.882  16.896
   27   2HG   GLU   4          1HG       GLU   4  -5.641   4.015  17.979
   28    H    HIS   5           H        HIS   5  -3.375   2.503  13.952
   29    HA   HIS   5           HA       HIS   5  -5.362   3.706  12.475
   30   1HB   HIS   5          2HB       HIS   5  -2.730   2.937  11.997
   31   2HB   HIS   5          1HB       HIS   5  -3.672   2.195  10.703
   32    HD1  HIS   5          1HD       HIS   5  -5.477   3.980   9.552
   33    HD2  HIS   5          2HD       HIS   5  -2.148   5.569  11.487
   34    HE1  HIS   5          1HE       HIS   5  -5.221   6.352   8.702
   35    H    GLN   6           H        GLN   6  -4.987   0.285  12.991
   36    HA   GLN   6           HA       GLN   6  -6.291  -0.791  10.789
   37   1HB   GLN   6          2HB       GLN   6  -6.016  -1.526  13.601
   38   2HB   GLN   6          1HB       GLN   6  -7.467  -2.182  12.842
   39   1HG   GLN   6          2HG       GLN   6  -4.674  -2.415  11.682
   40   2HG   GLN   6          1HG       GLN   6  -5.462  -3.680  12.626
   41   1HE2  GLN   6          2HE2      GLN   6  -6.461  -3.168   8.727
   42   2HE2  GLN   6          1HE2      GLN   6  -5.280  -2.192   9.477
   43    H    LEU   7           H        LEU   7  -8.752  -1.527  10.840
   44    HA   LEU   7           HA       LEU   7 -11.012  -0.832  10.890
   45   1HB   LEU   7          2HB       LEU   7  -9.958   0.037  13.371
   46   2HB   LEU   7          1HB       LEU   7 -10.770   1.444  12.681
   47    HG   LEU   7           HG       LEU   7 -12.367  -0.937  12.278
   48   1HD1  LEU   7          3HD1      LEU   7 -10.944  -0.854  14.759
   49   2HD1  LEU   7          2HD1      LEU   7 -12.639  -0.492  15.087
   50   3HD1  LEU   7          1HD1      LEU   7 -12.200  -1.987  14.262
   51   1HD2  LEU   7          1HD2      LEU   7 -12.859   1.670  12.430
   52   2HD2  LEU   7          3HD2      LEU   7 -14.080   0.497  12.920
   53   3HD2  LEU   7          2HD2      LEU   7 -13.089   1.300  14.139
   54    H    LEU   8           H        LEU   8  -9.159   2.208  11.528
   55    HA   LEU   8           HA       LEU   8 -10.462   3.593   9.429
   56   1HB   LEU   8          2HB       LEU   8  -9.488   4.934  11.109
   57   2HB   LEU   8          1HB       LEU   8  -7.993   4.013  11.053
   58    HG   LEU   8           HG       LEU   8  -7.392   4.913   8.937
   59   1HD1  LEU   8          1HD1      LEU   8 -10.252   5.299   8.776
   60   2HD1  LEU   8          3HD1      LEU   8  -9.405   6.781   8.322
   61   3HD1  LEU   8          2HD1      LEU   8  -9.064   5.272   7.471
   62   1HD2  LEU   8          2HD2      LEU   8  -8.070   6.642  11.165
   63   2HD2  LEU   8          1HD2      LEU   8  -6.686   6.736  10.075
   64   3HD2  LEU   8          3HD2      LEU   8  -8.206   7.518   9.640
   65    H    HIS   9           H        HIS   9  -7.683   1.578   9.832
   66    HA   HIS   9           HA       HIS   9  -6.829   1.906   7.059
   67   1HB   HIS   9          2HB       HIS   9  -5.096   2.039   8.699
   68   2HB   HIS   9          1HB       HIS   9  -5.587   0.518   9.446
   69    HD1  HIS   9          1HD       HIS   9  -3.661  -1.046   8.819
   70    HD2  HIS   9          2HD       HIS   9  -5.041   1.262   5.681
   71    HE1  HIS   9          1HE       HIS   9  -2.424  -1.867   6.759
   72    H    ASP  10           H        ASP  10  -9.314   0.616   7.448
   73    HA   ASP  10           HA       ASP  10  -9.710  -2.021   7.737
   74   1HB   ASP  10          2HB       ASP  10 -11.404  -0.678   6.676
   75   2HB   ASP  10          1HB       ASP  10 -10.366  -0.403   5.269
   76    H    LYS  11           H        LYS  11  -9.205  -3.996   6.677
   77    HA   LYS  11           HA       LYS  11  -6.701  -3.957   5.191
   78   1HB   LYS  11          2HB       LYS  11  -8.215  -5.906   6.748
   79   2HB   LYS  11          1HB       LYS  11  -7.568  -6.589   5.252
   80   1HG   LYS  11          2HG       LYS  11  -5.912  -4.972   7.207
   81   2HG   LYS  11          1HG       LYS  11  -5.994  -6.734   7.222
   82   1HD   LYS  11          2HD       LYS  11  -5.492  -6.155   4.559
   83   2HD   LYS  11          1HD       LYS  11  -4.523  -4.957   5.417
   84   1HE   LYS  11          2HE       LYS  11  -3.543  -6.770   6.800
   85   2HE   LYS  11          1HE       LYS  11  -4.471  -7.954   5.880
   86   1HZ   LYS  11          3HZ       LYS  11  -2.758  -6.048   4.447
   87   2HZ   LYS  11          2HZ       LYS  11  -2.042  -7.388   5.207
   88   3HZ   LYS  11          1HZ       LYS  11  -3.223  -7.618   4.007
   89    H    GLY  12           H        GLY  12  -9.136  -2.885   3.896
   90   1HA   GLY  12          2HA       GLY  12  -9.088  -4.645   1.499
   91   2HA   GLY  12          1HA       GLY  12 -10.638  -4.093   2.132
   92    H    LYS  13           H        LYS  13  -8.196  -1.804   2.618
   93    HA   LYS  13           HA       LYS  13  -9.077  -0.280   0.249
   94   1HB   LYS  13          2HB       LYS  13  -8.057   0.887   2.781
   95   2HB   LYS  13          1HB       LYS  13  -8.972   1.715   1.516
   96   1HG   LYS  13          2HG       LYS  13 -10.007  -0.438   3.393
   97   2HG   LYS  13          1HG       LYS  13 -10.487   1.264   3.371
   98   1HD   LYS  13          2HD       LYS  13 -11.104   0.796   0.873
   99   2HD   LYS  13          1HD       LYS  13 -11.099  -0.897   1.365
  100   1HE   LYS  13          2HE       LYS  13 -13.359  -0.025   1.598
  101   2HE   LYS  13          1HE       LYS  13 -12.696  -0.318   3.205
  102   1HZ   LYS  13          3HZ       LYS  13 -12.224   2.320   2.084
  103   2HZ   LYS  13          2HZ       LYS  13 -13.835   1.965   2.494
  104   3HZ   LYS  13          1HZ       LYS  13 -12.613   1.867   3.672
  105    H    SER  14           H        SER  14  -7.580   0.237  -1.153
  106    HA   SER  14           HA       SER  14  -5.426   0.006  -2.063
  107   1HB   SER  14          2HB       SER  14  -4.214   1.909  -0.255
  108   2HB   SER  14          1HB       SER  14  -4.669   2.119  -1.947
  109    HG   SER  14           HG       SER  14  -6.109   3.406  -1.083
  110    H    ILE  15           H        ILE  15  -5.866  -1.932  -0.336
  111    HA   ILE  15           HA       ILE  15  -3.423  -2.219   1.290
  112    HB   ILE  15           HB       ILE  15  -4.828  -4.646   1.211
  113   1HG1  ILE  15          2HG1      ILE  15  -7.083  -3.723   2.090
  114   2HG1  ILE  15          1HG1      ILE  15  -6.653  -2.274   1.243
  115   1HG2  ILE  15          2HG2      ILE  15  -3.635  -3.614   3.146
  116   2HG2  ILE  15          1HG2      ILE  15  -4.981  -2.489   3.327
  117   3HG2  ILE  15          3HG2      ILE  15  -5.236  -4.216   3.574
  118   1HD1  ILE  15          2HD1      ILE  15  -6.222  -4.656  -0.373
  119   2HD1  ILE  15          1HD1      ILE  15  -7.901  -4.492   0.132
  120   3HD1  ILE  15          3HD1      ILE  15  -7.121  -3.191  -0.766
  121    H    GLN  16           H        GLN  16  -5.261  -3.417  -1.371
  122    HA   GLN  16           HA       GLN  16  -3.238  -5.224  -2.433
  123   1HB   GLN  16          2HB       GLN  16  -5.763  -3.967  -3.590
  124   2HB   GLN  16          1HB       GLN  16  -4.781  -5.170  -4.435
  125   1HG   GLN  16          2HG       GLN  16  -5.382  -6.103  -1.771
  126   2HG   GLN  16          1HG       GLN  16  -6.877  -5.650  -2.592
  127   1HE2  GLN  16          2HE2      GLN  16  -4.576  -8.637  -4.258
  128   2HE2  GLN  16          1HE2      GLN  16  -3.821  -7.441  -3.319
  129    H    ASP  17           H        ASP  17  -4.146  -1.896  -2.363
  130    HA   ASP  17           HA       ASP  17  -2.461  -1.200  -4.686
  131   1HB   ASP  17          2HB       ASP  17  -4.741  -0.066  -3.821
  132   2HB   ASP  17          1HB       ASP  17  -3.606   0.877  -2.855
  133    H    LEU  18           H        LEU  18  -2.456  -0.982  -1.121
  134    HA   LEU  18           HA       LEU  18  -0.137   0.630  -0.836
  135   1HB   LEU  18          2HB       LEU  18  -1.594  -1.321   0.809
  136   2HB   LEU  18          1HB       LEU  18   0.145  -1.373   1.093
  137    HG   LEU  18           HG       LEU  18  -1.713   0.996   1.385
  138   1HD1  LEU  18          3HD1      LEU  18  -0.060  -0.745   3.171
  139   2HD1  LEU  18          2HD1      LEU  18  -0.252   0.952   3.613
  140   3HD1  LEU  18          1HD1      LEU  18  -1.673  -0.079   3.436
  141   1HD2  LEU  18          2HD2      LEU  18   1.115   0.928   0.639
  142   2HD2  LEU  18          1HD2      LEU  18   0.000   2.294   0.672
  143   3HD2  LEU  18          3HD2      LEU  18   0.843   1.807   2.143
  144    H    ARG  19           H        ARG  19  -0.727  -2.660  -1.694
  145    HA   ARG  19           HA       ARG  19   1.878  -3.762  -1.668
  146   1HB   ARG  19          2HB       ARG  19   0.239  -5.355  -2.087
  147   2HB   ARG  19          1HB       ARG  19  -0.728  -4.247  -3.042
  148   1HG   ARG  19          2HG       ARG  19   0.973  -4.434  -4.880
  149   2HG   ARG  19          1HG       ARG  19   1.773  -5.699  -3.944
  150   1HD   ARG  19          2HD       ARG  19  -0.878  -5.743  -5.330
  151   2HD   ARG  19          1HD       ARG  19   0.368  -6.988  -5.266
  152    HE   ARG  19           HE       ARG  19  -1.660  -6.463  -3.163
  153   1HH1  ARG  19          1HH1      ARG  19  -2.194  -8.989  -3.462
  154   2HH1  ARG  19          2HH1      ARG  19  -0.942  -9.962  -2.764
  155   1HH2  ARG  19          1HH2      ARG  19   1.366  -7.377  -2.651
  156   2HH2  ARG  19          2HH2      ARG  19   1.072  -9.047  -2.301
  157    H    ARG  20           H        ARG  20   0.140  -1.849  -4.108
  158    HA   ARG  20           HA       ARG  20   2.467  -1.923  -5.872
  159   1HB   ARG  20          2HB       ARG  20   1.042  -1.265  -7.501
  160   2HB   ARG  20          1HB       ARG  20  -0.189  -1.737  -6.332
  161   1HG   ARG  20          2HG       ARG  20  -0.956   0.384  -6.703
  162   2HG   ARG  20          1HG       ARG  20   0.288   0.826  -5.533
  163   1HD   ARG  20          2HD       ARG  20   1.205   2.105  -7.157
  164   2HD   ARG  20          1HD       ARG  20   1.663   0.596  -7.955
  165    HE   ARG  20           HE       ARG  20  -1.017   1.111  -8.666
  166   1HH1  ARG  20          1HH1      ARG  20  -0.904   1.303 -11.021
  167   2HH1  ARG  20          2HH1      ARG  20   0.069   2.593 -11.645
  168   1HH2  ARG  20          1HH2      ARG  20   1.551   3.307  -8.592
  169   2HH2  ARG  20          2HH2      ARG  20   1.458   3.728 -10.270
  170    H    ARG  21           H        ARG  21   1.121   0.134  -3.418
  171    HA   ARG  21           HA       ARG  21   2.660   2.495  -4.112
  172   1HB   ARG  21          2HB       ARG  21   1.212   1.481  -1.686
  173   2HB   ARG  21          1HB       ARG  21   2.422   2.737  -1.443
  174   1HG   ARG  21          2HG       ARG  21   0.386   3.910  -1.800
  175   2HG   ARG  21          1HG       ARG  21   1.245   4.012  -3.336
  176   1HD   ARG  21          2HD       ARG  21  -0.814   3.314  -4.110
  177   2HD   ARG  21          1HD       ARG  21  -0.079   1.741  -3.803
  178    HE   ARG  21           HE       ARG  21  -1.458   1.519  -1.838
  179   1HH1  ARG  21          1HH1      ARG  21  -2.212   3.286  -0.179
  180   2HH1  ARG  21          2HH1      ARG  21  -3.483   4.275  -0.817
  181   1HH2  ARG  21          1HH2      ARG  21  -2.928   3.330  -4.107
  182   2HH2  ARG  21          2HH2      ARG  21  -3.891   4.298  -3.040
  183    H    PHE  22           H        PHE  22   3.148  -0.542  -2.536
  184    HA   PHE  22           HA       PHE  22   5.904   0.134  -1.767
  185   1HB   PHE  22          2HB       PHE  22   4.355  -2.384  -1.365
  186   2HB   PHE  22          1HB       PHE  22   5.915  -2.006  -0.642
  187    HD1  PHE  22          1HD       PHE  22   2.880  -2.453   0.453
  188    HD2  PHE  22          2HD       PHE  22   5.557   0.855  -0.092
  189    HE1  PHE  22          1HE       PHE  22   1.679  -1.183   2.202
  190    HE2  PHE  22          2HE       PHE  22   4.361   2.116   1.656
  191    HZ   PHE  22           HZ       PHE  22   2.438   1.087   2.770
  192    H    PHE  23           H        PHE  23   4.035  -1.437  -4.181
  193    HA   PHE  23           HA       PHE  23   5.233  -3.449  -5.408
  194   1HB   PHE  23          2HB       PHE  23   4.009  -1.089  -6.454
  195   2HB   PHE  23          1HB       PHE  23   5.363  -1.520  -7.479
  196    HD1  PHE  23          1HD       PHE  23   3.478  -4.003  -5.521
  197    HD2  PHE  23          2HD       PHE  23   4.041  -2.119  -9.335
  198    HE1  PHE  23          1HE       PHE  23   2.074  -5.737  -6.590
  199    HE2  PHE  23          2HE       PHE  23   2.644  -3.853 -10.401
  200    HZ   PHE  23           HZ       PHE  23   1.673  -5.630  -9.015
  201    H    LEU  24           H        LEU  24   6.595  -0.261  -6.234
  202    HA   LEU  24           HA       LEU  24   9.133  -1.449  -6.997
  203   1HB   LEU  24          2HB       LEU  24   8.422   1.468  -6.550
  204   2HB   LEU  24          1HB       LEU  24   9.863   0.872  -7.365
  205    HG   LEU  24           HG       LEU  24   8.464   1.348  -9.170
  206   1HD1  LEU  24          3HD1      LEU  24   9.209  -1.016  -9.267
  207   2HD1  LEU  24          2HD1      LEU  24   7.720  -1.505  -8.457
  208   3HD1  LEU  24          1HD1      LEU  24   7.654  -0.785 -10.067
  209   1HD2  LEU  24          1HD2      LEU  24   6.474   1.429  -7.279
  210   2HD2  LEU  24          3HD2      LEU  24   6.212   1.594  -9.015
  211   3HD2  LEU  24          2HD2      LEU  24   6.003   0.027  -8.238
  212    H    HIS  25           H        HIS  25   7.905   0.336  -4.169
  213    HA   HIS  25           HA       HIS  25  10.486   0.636  -2.920
  214   1HB   HIS  25          2HB       HIS  25   7.718   1.160  -2.247
  215   2HB   HIS  25          1HB       HIS  25   8.571   0.455  -0.868
  216    HD1  HIS  25          1HD       HIS  25   8.157   3.084  -0.017
  217    HD2  HIS  25          2HD       HIS  25  11.070   2.432  -2.926
  218    HE1  HIS  25          1HE       HIS  25   9.655   5.127  -0.002
  219    H    HIS  26           H        HIS  26   8.555  -2.130  -3.416
  220    HA   HIS  26           HA       HIS  26   9.476  -3.548  -1.048
  221   1HB   HIS  26          2HB       HIS  26   7.292  -3.795  -2.665
  222   2HB   HIS  26          1HB       HIS  26   8.324  -5.126  -3.192
  223    HD1  HIS  26          1HD       HIS  26   8.270  -3.803   0.327
  224    HD2  HIS  26          2HD       HIS  26   7.011  -7.168  -1.780
  225    HE1  HIS  26          1HE       HIS  26   7.584  -5.502   2.057
  226    H    LEU  27           H        LEU  27   9.671  -4.442  -4.493
  227    HA   LEU  27           HA       LEU  27  11.920  -6.180  -4.051
  228   1HB   LEU  27          2HB       LEU  27  12.074  -5.992  -6.650
  229   2HB   LEU  27          1HB       LEU  27  10.660  -6.761  -5.932
  230    HG   LEU  27           HG       LEU  27   9.315  -4.819  -6.251
  231   1HD1  LEU  27          1HD1      LEU  27  11.963  -3.454  -6.761
  232   2HD1  LEU  27          3HD1      LEU  27  10.442  -2.736  -7.286
  233   3HD1  LEU  27          2HD1      LEU  27  10.730  -3.036  -5.572
  234   1HD2  LEU  27          3HD2      LEU  27  10.864  -5.913  -8.461
  235   2HD2  LEU  27          2HD2      LEU  27   9.153  -5.490  -8.401
  236   3HD2  LEU  27          1HD2      LEU  27  10.354  -4.259  -8.793
  237    H    ILE  28           H        ILE  28  11.847  -2.849  -4.013
  238    HA   ILE  28           HA       ILE  28  14.488  -2.532  -5.322
  239    HB   ILE  28           HB       ILE  28  12.589  -0.849  -5.597
  240   1HG1  ILE  28          2HG1      ILE  28  15.039   0.421  -4.378
  241   2HG1  ILE  28          1HG1      ILE  28  15.149  -0.476  -5.893
  242   1HG2  ILE  28          2HG2      ILE  28  11.905  -0.876  -3.201
  243   2HG2  ILE  28          1HG2      ILE  28  13.439  -0.118  -2.776
  244   3HG2  ILE  28          3HG2      ILE  28  12.271   0.752  -3.771
  245   1HD1  ILE  28          3HD1      ILE  28  12.892   1.169  -6.186
  246   2HD1  ILE  28          2HD1      ILE  28  14.110   2.191  -5.423
  247   3HD1  ILE  28          1HD1      ILE  28  14.465   1.389  -6.953
  248    H    ALA  29           H        ALA  29  13.424  -3.515  -2.354
  249    HA   ALA  29           HA       ALA  29  15.865  -3.560  -1.063
  250   1HB   ALA  29          2HB       ALA  29  14.457  -0.917  -0.722
  251   2HB   ALA  29          1HB       ALA  29  15.508  -1.547   0.547
  252   3HB   ALA  29          3HB       ALA  29  16.161  -1.221  -1.059
  253    H    GLU  30           H        GLU  30  15.427  -5.080   0.447
  254    HA   GLU  30           HA       GLU  30  13.379  -4.700   2.461
  255   1HB   GLU  30          2HB       GLU  30  12.293  -7.007   1.681
  256   2HB   GLU  30          1HB       GLU  30  11.713  -5.464   1.047
  257   1HG   GLU  30          2HG       GLU  30  12.990  -5.707  -0.965
  258   2HG   GLU  30          1HG       GLU  30  13.896  -7.071  -0.301
  259    H    ILE  31           H        ILE  31  14.271  -5.623   4.232
  260    HA   ILE  31           HA       ILE  31  15.732  -6.950   5.515
  261    HB   ILE  31           HB       ILE  31  15.160  -9.222   3.666
  262   1HG1  ILE  31          2HG1      ILE  31  13.061  -7.881   3.736
  263   2HG1  ILE  31          1HG1      ILE  31  12.881  -9.433   4.555
  264   1HG2  ILE  31          1HG2      ILE  31  15.991  -8.811   6.382
  265   2HG2  ILE  31          3HG2      ILE  31  14.466  -9.695   6.383
  266   3HG2  ILE  31          2HG2      ILE  31  15.852 -10.332   5.498
  267   1HD1  ILE  31          1HD1      ILE  31  13.727  -7.004   6.113
  268   2HD1  ILE  31          3HD1      ILE  31  12.023  -7.268   5.748
  269   3HD1  ILE  31          2HD1      ILE  31  12.918  -8.462   6.686
  270    H    HIS  32           H        HIS  32  17.005  -5.524   3.476
  271    HA   HIS  32           HA       HIS  32  18.959  -5.487   2.153
  272   1HB   HIS  32          2HB       HIS  32  19.821  -7.639   4.105
  273   2HB   HIS  32          1HB       HIS  32  20.862  -6.515   3.226
  274    HD1  HIS  32          1HD       HIS  32  20.750  -3.976   3.955
  275    HD2  HIS  32          2HD       HIS  32  18.656  -6.586   6.441
  276    HE1  HIS  32          1HE       HIS  32  20.249  -2.693   6.082
  277    H    THR  33           H        THR  33  17.926  -6.455   0.268
  278    HA   THR  33           HA       THR  33  17.728  -8.074  -1.419
  279    HB   THR  33           HB       THR  33  19.710  -9.269  -1.912
  280    HG1  THR  33          1HG       THR  33  20.370 -10.459  -0.318
  281   1HG2  THR  33          1HG2      THR  33  19.848  -6.609  -1.115
  282   2HG2  THR  33          3HG2      THR  33  21.211  -7.363  -0.290
  283   3HG2  THR  33          2HG2      THR  33  21.071  -7.475  -2.044
  284    H    ALA  34           H        ALA  34  15.908  -9.279  -0.930
  285    HA   ALA  34           HA       ALA  34  16.351 -11.938   0.215
  286   1HB   ALA  34          1HB       ALA  34  15.855 -10.195   2.126
  287   2HB   ALA  34          3HB       ALA  34  14.195 -10.328   1.547
  288   3HB   ALA  34          2HB       ALA  34  15.040 -11.759   2.136
   
  No H/Q in entry =         288
  Start of MODEL    9
    1   1H    ALA   1          3HT       ALA   1 -26.503  -4.114  13.862
    2   2H    ALA   1          2HT       ALA   1 -26.859  -3.032  15.124
    3   3H    ALA   1          1HT       ALA   1 -27.852  -3.092  13.747
    4    HA   ALA   1           HA       ALA   1 -26.654  -1.311  13.117
    5   1HB   ALA   1          2HB       ALA   1 -25.421  -1.622  15.436
    6   2HB   ALA   1          1HB       ALA   1 -24.125  -2.258  14.423
    7   3HB   ALA   1          3HB       ALA   1 -24.707  -0.610  14.179
    8    H    VAL   2           H        VAL   2 -23.815  -1.448  12.381
    9    HA   VAL   2           HA       VAL   2 -23.880  -2.397   9.800
   10    HB   VAL   2           HB       VAL   2 -21.944  -1.199  10.614
   11   1HG1  VAL   2          2HG1      VAL   2 -21.962  -3.384  12.611
   12   2HG1  VAL   2          1HG1      VAL   2 -20.364  -2.889  12.052
   13   3HG1  VAL   2          3HG1      VAL   2 -21.449  -1.706  12.783
   14   1HG2  VAL   2          3HG2      VAL   2 -21.800  -3.588   9.097
   15   2HG2  VAL   2          2HG2      VAL   2 -20.658  -2.244   9.085
   16   3HG2  VAL   2          1HG2      VAL   2 -20.407  -3.603  10.181
   17    H    SER   3           H        SER   3 -23.495  -4.394   8.765
   18    HA   SER   3           HA       SER   3 -24.190  -6.759  10.329
   19   1HB   SER   3          2HB       SER   3 -24.852  -6.287   7.892
   20   2HB   SER   3          1HB       SER   3 -23.195  -6.725   7.473
   21    HG   SER   3           HG       SER   3 -24.026  -8.670   7.472
   22    H    GLU   4           H        GLU   4 -22.752  -8.807   9.885
   23    HA   GLU   4           HA       GLU   4 -20.147  -8.267  11.021
   24   1HB   GLU   4          2HB       GLU   4 -21.563 -10.388  11.313
   25   2HB   GLU   4          1HB       GLU   4 -20.995 -10.855   9.712
   26   1HG   GLU   4          2HG       GLU   4 -19.012 -11.513  10.547
   27   2HG   GLU   4          1HG       GLU   4 -18.775  -9.947  11.324
   28    H    HIS   5           H        HIS   5 -20.841 -10.073   8.014
   29    HA   HIS   5           HA       HIS   5 -18.363  -9.878   6.832
   30   1HB   HIS   5          2HB       HIS   5 -20.976 -10.474   5.946
   31   2HB   HIS   5          1HB       HIS   5 -20.262  -9.353   4.785
   32    HD1  HIS   5          1HD       HIS   5 -17.595 -10.079   4.200
   33    HD2  HIS   5          2HD       HIS   5 -20.239 -13.059   5.418
   34    HE1  HIS   5          1HE       HIS   5 -16.576 -12.281   3.469
   35    H    GLN   6           H        GLN   6 -20.805  -7.342   7.045
   36    HA   GLN   6           HA       GLN   6 -19.882  -5.473   5.236
   37   1HB   GLN   6          2HB       GLN   6 -21.273  -5.373   7.760
   38   2HB   GLN   6          1HB       GLN   6 -20.263  -3.952   7.520
   39   1HG   GLN   6          2HG       GLN   6 -21.670  -4.683   5.082
   40   2HG   GLN   6          1HG       GLN   6 -22.795  -4.394   6.410
   41   1HE2  GLN   6          2HE2      GLN   6 -22.490  -0.926   5.883
   42   2HE2  GLN   6          1HE2      GLN   6 -23.514  -2.269   6.126
   43    H    LEU   7           H        LEU   7 -18.342  -3.640   5.541
   44    HA   LEU   7           HA       LEU   7 -16.280  -2.742   6.251
   45   1HB   LEU   7          2HB       LEU   7 -17.288  -3.885   8.547
   46   2HB   LEU   7          1HB       LEU   7 -15.752  -4.731   8.351
   47    HG   LEU   7           HG       LEU   7 -15.510  -1.876   7.808
   48   1HD1  LEU   7          3HD1      LEU   7 -17.363  -2.184   9.683
   49   2HD1  LEU   7          2HD1      LEU   7 -15.959  -2.497  10.704
   50   3HD1  LEU   7          1HD1      LEU   7 -16.107  -0.958   9.854
   51   1HD2  LEU   7          3HD2      LEU   7 -13.805  -3.833   8.404
   52   2HD2  LEU   7          2HD2      LEU   7 -13.481  -2.171   8.898
   53   3HD2  LEU   7          1HD2      LEU   7 -14.151  -3.321  10.054
   54    H    LEU   8           H        LEU   8 -16.330  -6.345   6.553
   55    HA   LEU   8           HA       LEU   8 -13.663  -6.695   5.770
   56   1HB   LEU   8          2HB       LEU   8 -14.647  -8.483   6.888
   57   2HB   LEU   8          1HB       LEU   8 -16.081  -8.416   5.875
   58    HG   LEU   8           HG       LEU   8 -14.884  -9.268   3.983
   59   1HD1  LEU   8          1HD1      LEU   8 -12.680  -8.150   5.334
   60   2HD1  LEU   8          3HD1      LEU   8 -12.352  -9.880   5.234
   61   3HD1  LEU   8          2HD1      LEU   8 -12.664  -8.954   3.765
   62   1HD2  LEU   8          3HD2      LEU   8 -14.717 -10.685   6.589
   63   2HD2  LEU   8          2HD2      LEU   8 -15.506 -11.182   5.092
   64   3HD2  LEU   8          1HD2      LEU   8 -13.761 -11.366   5.274
   65    H    HIS   9           H        HIS   9 -16.410  -5.791   3.959
   66    HA   HIS   9           HA       HIS   9 -15.691  -6.987   1.470
   67   1HB   HIS   9          2HB       HIS   9 -17.430  -4.634   2.135
   68   2HB   HIS   9          1HB       HIS   9 -17.304  -5.301   0.498
   69    HD1  HIS   9          1HD       HIS   9 -19.577  -6.531   0.328
   70    HD2  HIS   9          2HD       HIS   9 -17.451  -7.266   3.797
   71    HE1  HIS   9          1HE       HIS   9 -20.836  -8.385   1.526
   72    H    ASP  10           H        ASP  10 -14.894  -4.205   3.203
   73    HA   ASP  10           HA       ASP  10 -13.799  -2.370   1.533
   74   1HB   ASP  10          2HB       ASP  10 -13.694  -2.088   3.849
   75   2HB   ASP  10          1HB       ASP  10 -12.891  -3.635   4.097
   76    H    LYS  11           H        LYS  11 -12.604  -5.636   2.125
   77    HA   LYS  11           HA       LYS  11  -9.982  -5.567   1.308
   78   1HB   LYS  11          2HB       LYS  11 -12.075  -7.547   1.314
   79   2HB   LYS  11          1HB       LYS  11 -11.092  -7.729  -0.143
   80   1HG   LYS  11          2HG       LYS  11 -10.128  -7.713   2.732
   81   2HG   LYS  11          1HG       LYS  11 -10.055  -9.052   1.587
   82   1HD   LYS  11          2HD       LYS  11  -8.648  -7.418   0.122
   83   2HD   LYS  11          1HD       LYS  11  -8.431  -6.515   1.621
   84   1HE   LYS  11          2HE       LYS  11  -7.954  -9.152   2.373
   85   2HE   LYS  11          1HE       LYS  11  -7.200  -9.027   0.782
   86   1HZ   LYS  11          1HZ       LYS  11  -6.701  -6.732   2.412
   87   2HZ   LYS  11          3HZ       LYS  11  -6.137  -8.157   3.138
   88   3HZ   LYS  11          2HZ       LYS  11  -5.604  -7.729   1.583
   89    H    GLY  12           H        GLY  12  -9.593  -3.893  -0.170
   90   1HA   GLY  12          2HA       GLY  12  -9.342  -4.434  -2.870
   91   2HA   GLY  12          1HA       GLY  12 -10.960  -3.738  -2.729
   92    H    LYS  13           H        LYS  13 -10.128  -2.089  -0.395
   93    HA   LYS  13           HA       LYS  13  -9.447   0.295  -1.713
   94   1HB   LYS  13          2HB       LYS  13  -8.830  -0.329   1.140
   95   2HB   LYS  13          1HB       LYS  13  -9.114   1.264   0.450
   96   1HG   LYS  13          2HG       LYS  13 -11.114  -0.981   0.815
   97   2HG   LYS  13          1HG       LYS  13 -11.156   0.631   1.539
   98   1HD   LYS  13          2HD       LYS  13 -11.334   1.591  -0.781
   99   2HD   LYS  13          1HD       LYS  13 -11.488  -0.054  -1.396
  100   1HE   LYS  13          2HE       LYS  13 -13.461  -0.370   0.128
  101   2HE   LYS  13          1HE       LYS  13 -13.354   1.341   0.541
  102   1HZ   LYS  13          3HZ       LYS  13 -13.275   1.290  -2.187
  103   2HZ   LYS  13          2HZ       LYS  13 -14.428   0.105  -1.798
  104   3HZ   LYS  13          1HZ       LYS  13 -14.618   1.696  -1.235
  105    H    SER  14           H        SER  14  -7.323   1.430  -0.365
  106    HA   SER  14           HA       SER  14  -5.221   0.387  -1.971
  107   1HB   SER  14          2HB       SER  14  -4.635   2.213   0.307
  108   2HB   SER  14          1HB       SER  14  -3.937   2.161  -1.315
  109    HG   SER  14           HG       SER  14  -5.610   3.254  -2.081
  110    H    ILE  15           H        ILE  15  -5.703  -1.727  -0.975
  111    HA   ILE  15           HA       ILE  15  -3.685  -2.282   1.134
  112    HB   ILE  15           HB       ILE  15  -5.269  -4.514   1.022
  113   1HG1  ILE  15          2HG1      ILE  15  -7.603  -3.359   1.415
  114   2HG1  ILE  15          1HG1      ILE  15  -6.948  -2.122   0.369
  115   1HG2  ILE  15          3HG2      ILE  15  -4.865  -2.266   2.845
  116   2HG2  ILE  15          2HG2      ILE  15  -6.435  -3.041   3.057
  117   3HG2  ILE  15          1HG2      ILE  15  -4.956  -3.992   3.201
  118   1HD1  ILE  15          3HD1      ILE  15  -6.275  -4.592  -0.820
  119   2HD1  ILE  15          2HD1      ILE  15  -7.964  -4.725  -0.337
  120   3HD1  ILE  15          1HD1      ILE  15  -7.450  -3.413  -1.399
  121    H    GLN  16           H        GLN  16  -5.405  -3.227  -1.745
  122    HA   GLN  16           HA       GLN  16  -3.482  -5.204  -2.668
  123   1HB   GLN  16          2HB       GLN  16  -5.745  -3.621  -3.931
  124   2HB   GLN  16          1HB       GLN  16  -4.752  -4.751  -4.856
  125   1HG   GLN  16          2HG       GLN  16  -5.785  -5.871  -2.340
  126   2HG   GLN  16          1HG       GLN  16  -7.045  -5.440  -3.498
  127   1HE2  GLN  16          2HE2      GLN  16  -4.415  -8.452  -4.417
  128   2HE2  GLN  16          1HE2      GLN  16  -4.062  -7.389  -3.143
  129    H    ASP  17           H        ASP  17  -4.138  -1.802  -2.722
  130    HA   ASP  17           HA       ASP  17  -2.017  -1.241  -4.690
  131   1HB   ASP  17          2HB       ASP  17  -4.378   0.110  -3.726
  132   2HB   ASP  17          1HB       ASP  17  -2.977   1.140  -3.455
  133    H    LEU  18           H        LEU  18  -2.659  -0.982  -1.165
  134    HA   LEU  18           HA       LEU  18  -0.381   0.541  -0.432
  135   1HB   LEU  18          2HB       LEU  18  -2.204  -1.210   0.904
  136   2HB   LEU  18          1HB       LEU  18  -0.575  -1.735   1.321
  137    HG   LEU  18           HG       LEU  18  -1.419  -0.010   2.893
  138   1HD1  LEU  18          3HD1      LEU  18   0.980   0.318   1.178
  139   2HD1  LEU  18          2HD1      LEU  18   0.537   1.718   2.153
  140   3HD1  LEU  18          1HD1      LEU  18   0.861   0.170   2.931
  141   1HD2  LEU  18          2HD2      LEU  18  -2.092   1.278   0.352
  142   2HD2  LEU  18          1HD2      LEU  18  -2.715   1.602   1.970
  143   3HD2  LEU  18          3HD2      LEU  18  -1.212   2.355   1.437
  144    H    ARG  19           H        ARG  19  -0.807  -2.652  -1.651
  145    HA   ARG  19           HA       ARG  19   1.843  -3.700  -1.236
  146   1HB   ARG  19          2HB       ARG  19   0.211  -5.323  -1.727
  147   2HB   ARG  19          1HB       ARG  19  -0.576  -4.299  -2.916
  148   1HG   ARG  19          2HG       ARG  19   1.398  -4.586  -4.418
  149   2HG   ARG  19          1HG       ARG  19   2.059  -5.751  -3.265
  150   1HD   ARG  19          2HD       ARG  19  -0.287  -5.999  -5.091
  151   2HD   ARG  19          1HD       ARG  19   0.913  -7.210  -4.643
  152    HE   ARG  19           HE       ARG  19  -1.474  -6.468  -3.029
  153   1HH1  ARG  19          1HH1      ARG  19  -0.765  -7.347  -0.809
  154   2HH1  ARG  19          2HH1      ARG  19  -0.268  -9.006  -0.865
  155   1HH2  ARG  19          1HH2      ARG  19   0.068  -9.070  -4.314
  156   2HH2  ARG  19          2HH2      ARG  19   0.200  -9.981  -2.846
  157    H    ARG  20           H        ARG  20   0.216  -2.585  -4.209
  158    HA   ARG  20           HA       ARG  20   2.563  -2.297  -5.745
  159   1HB   ARG  20          2HB       ARG  20   0.048  -2.111  -6.415
  160   2HB   ARG  20          1HB       ARG  20   0.258  -0.415  -5.997
  161   1HG   ARG  20          2HG       ARG  20   2.105  -0.213  -7.600
  162   2HG   ARG  20          1HG       ARG  20   1.956  -1.927  -7.993
  163   1HD   ARG  20          2HD       ARG  20  -0.498  -0.247  -8.228
  164   2HD   ARG  20          1HD       ARG  20   0.748  -0.042  -9.459
  165    HE   ARG  20           HE       ARG  20  -0.868  -2.474  -9.018
  166   1HH1  ARG  20          1HH1      ARG  20   0.490  -4.315  -9.874
  167   2HH1  ARG  20          2HH1      ARG  20   1.231  -4.001 -11.407
  168   1HH2  ARG  20          1HH2      ARG  20   0.661  -0.584 -11.283
  169   2HH2  ARG  20          2HH2      ARG  20   1.325  -1.890 -12.206
  170    H    ARG  21           H        ARG  21   1.027  -0.170  -3.369
  171    HA   ARG  21           HA       ARG  21   2.525   2.205  -3.806
  172   1HB   ARG  21          2HB       ARG  21   1.025   0.987  -1.595
  173   2HB   ARG  21          1HB       ARG  21   2.430   1.882  -1.019
  174   1HG   ARG  21          2HG       ARG  21   1.649   3.910  -1.840
  175   2HG   ARG  21          1HG       ARG  21   0.656   3.141  -3.080
  176   1HD   ARG  21          2HD       ARG  21   0.015   2.631  -0.196
  177   2HD   ARG  21          1HD       ARG  21  -0.476   4.163  -0.918
  178    HE   ARG  21           HE       ARG  21  -1.604   1.530  -1.536
  179   1HH1  ARG  21          1HH1      ARG  21  -3.249   4.004  -1.328
  180   2HH1  ARG  21          2HH1      ARG  21  -3.579   4.375  -2.987
  181   1HH2  ARG  21          1HH2      ARG  21  -1.057   2.339  -4.221
  182   2HH2  ARG  21          2HH2      ARG  21  -2.335   3.436  -4.626
  183    H    PHE  22           H        PHE  22   3.260  -0.875  -2.361
  184    HA   PHE  22           HA       PHE  22   6.013  -0.078  -1.732
  185   1HB   PHE  22          2HB       PHE  22   4.637  -2.719  -1.472
  186   2HB   PHE  22          1HB       PHE  22   6.238  -2.337  -0.839
  187    HD1  PHE  22          1HD       PHE  22   5.885   0.393   0.068
  188    HD2  PHE  22          2HD       PHE  22   3.251  -2.979   0.378
  189    HE1  PHE  22          1HE       PHE  22   4.784   1.435   2.016
  190    HE2  PHE  22          2HE       PHE  22   2.154  -1.936   2.334
  191    HZ   PHE  22           HZ       PHE  22   2.931   0.263   3.114
  192    H    PHE  23           H        PHE  23   4.108  -1.784  -4.074
  193    HA   PHE  23           HA       PHE  23   5.256  -3.490  -5.581
  194   1HB   PHE  23          2HB       PHE  23   3.827  -1.315  -6.426
  195   2HB   PHE  23          1HB       PHE  23   5.320  -1.140  -7.324
  196    HD1  PHE  23          1HD       PHE  23   3.192  -3.994  -6.195
  197    HD2  PHE  23          2HD       PHE  23   5.217  -2.006  -9.414
  198    HE1  PHE  23          1HE       PHE  23   2.439  -5.757  -7.760
  199    HE2  PHE  23          2HE       PHE  23   4.468  -3.769 -10.976
  200    HZ   PHE  23           HZ       PHE  23   3.085  -5.617 -10.131
  201    H    LEU  24           H        LEU  24   6.660  -0.326  -6.355
  202    HA   LEU  24           HA       LEU  24   9.212  -1.598  -7.023
  203   1HB   LEU  24          2HB       LEU  24   8.571   1.362  -6.903
  204   2HB   LEU  24          1HB       LEU  24   9.879   0.586  -7.796
  205    HG   LEU  24           HG       LEU  24   6.908   0.423  -8.340
  206   1HD1  LEU  24          3HD1      LEU  24   9.266   1.712  -9.562
  207   2HD1  LEU  24          2HD1      LEU  24   8.215   0.875 -10.704
  208   3HD1  LEU  24          1HD1      LEU  24   7.561   2.148  -9.672
  209   1HD2  LEU  24          2HD2      LEU  24   9.096  -1.483  -8.977
  210   2HD2  LEU  24          1HD2      LEU  24   7.361  -1.768  -8.831
  211   3HD2  LEU  24          3HD2      LEU  24   8.019  -1.071 -10.312
  212    H    HIS  25           H        HIS  25   7.827   0.320  -4.404
  213    HA   HIS  25           HA       HIS  25  10.301   0.965  -3.098
  214   1HB   HIS  25          2HB       HIS  25   7.430   0.941  -2.394
  215   2HB   HIS  25          1HB       HIS  25   8.525   0.705  -1.028
  216    HD1  HIS  25          1HD       HIS  25   8.201   3.070  -0.053
  217    HD2  HIS  25          2HD       HIS  25   9.534   3.088  -4.003
  218    HE1  HIS  25          1HE       HIS  25   8.884   5.455  -0.568
  219    H    HIS  26           H        HIS  26   8.510  -2.012  -3.389
  220    HA   HIS  26           HA       HIS  26   9.797  -3.243  -1.081
  221   1HB   HIS  26          2HB       HIS  26   7.445  -3.724  -2.336
  222   2HB   HIS  26          1HB       HIS  26   8.485  -4.965  -3.038
  223    HD1  HIS  26          1HD       HIS  26   8.809  -3.616   0.461
  224    HD2  HIS  26          2HD       HIS  26   7.690  -7.135  -1.464
  225    HE1  HIS  26          1HE       HIS  26   8.593  -5.366   2.258
  226    H    LEU  27           H        LEU  27   9.599  -4.448  -4.418
  227    HA   LEU  27           HA       LEU  27  11.877  -6.067  -4.327
  228   1HB   LEU  27          2HB       LEU  27  11.161  -4.529  -6.820
  229   2HB   LEU  27          1HB       LEU  27  11.760  -6.180  -6.680
  230    HG   LEU  27           HG       LEU  27   9.002  -5.137  -6.025
  231   1HD1  LEU  27          2HD1      LEU  27   9.788  -6.023  -8.350
  232   2HD1  LEU  27          1HD1      LEU  27   9.738  -7.609  -7.579
  233   3HD1  LEU  27          3HD1      LEU  27   8.274  -6.632  -7.682
  234   1HD2  LEU  27          2HD2      LEU  27  10.409  -7.633  -5.075
  235   2HD2  LEU  27          1HD2      LEU  27   9.433  -6.500  -4.141
  236   3HD2  LEU  27          3HD2      LEU  27   8.658  -7.604  -5.279
  237    H    ILE  28           H        ILE  28  11.701  -2.645  -5.345
  238    HA   ILE  28           HA       ILE  28  14.669  -2.573  -5.399
  239    HB   ILE  28           HB       ILE  28  12.782  -0.321  -6.109
  240   1HG1  ILE  28          2HG1      ILE  28  13.921  -2.345  -8.049
  241   2HG1  ILE  28          1HG1      ILE  28  12.321  -2.538  -7.332
  242   1HG2  ILE  28          2HG2      ILE  28  15.680  -0.909  -6.339
  243   2HG2  ILE  28          1HG2      ILE  28  14.939  -0.179  -7.763
  244   3HG2  ILE  28          3HG2      ILE  28  14.853   0.642  -6.204
  245   1HD1  ILE  28          2HD1      ILE  28  11.787  -0.198  -8.169
  246   2HD1  ILE  28          1HD1      ILE  28  13.292  -0.271  -9.086
  247   3HD1  ILE  28          3HD1      ILE  28  11.996  -1.416  -9.428
  248    H    ALA  29           H        ALA  29  13.645  -2.904  -2.853
  249    HA   ALA  29           HA       ALA  29  14.910  -1.045  -1.277
  250   1HB   ALA  29          3HB       ALA  29  12.323  -0.009  -2.292
  251   2HB   ALA  29          2HB       ALA  29  12.600   0.198  -0.563
  252   3HB   ALA  29          1HB       ALA  29  13.742   0.871  -1.726
  253    H    GLU  30           H        GLU  30  15.062  -2.293   0.509
  254    HA   GLU  30           HA       GLU  30  12.615  -3.255   1.836
  255   1HB   GLU  30          2HB       GLU  30  13.512  -5.602   1.957
  256   2HB   GLU  30          1HB       GLU  30  13.021  -5.113   0.331
  257   1HG   GLU  30          2HG       GLU  30  15.340  -4.622  -0.261
  258   2HG   GLU  30          1HG       GLU  30  15.862  -4.993   1.385
  259    H    ILE  31           H        ILE  31  12.879  -2.797   3.879
  260    HA   ILE  31           HA       ILE  31  14.011  -1.958   5.770
  261    HB   ILE  31           HB       ILE  31  14.937  -3.779   7.005
  262   1HG1  ILE  31          2HG1      ILE  31  14.882  -5.936   5.154
  263   2HG1  ILE  31          1HG1      ILE  31  15.870  -4.662   4.448
  264   1HG2  ILE  31          1HG2      ILE  31  12.525  -4.102   5.373
  265   2HG2  ILE  31          3HG2      ILE  31  13.163  -5.622   6.000
  266   3HG2  ILE  31          2HG2      ILE  31  12.744  -4.317   7.111
  267   1HD1  ILE  31          3HD1      ILE  31  16.626  -4.692   7.129
  268   2HD1  ILE  31          2HD1      ILE  31  16.448  -6.397   6.713
  269   3HD1  ILE  31          1HD1      ILE  31  17.543  -5.371   5.784
  270    H    HIS  32           H        HIS  32  15.299  -0.346   4.830
  271    HA   HIS  32           HA       HIS  32  17.287   0.667   4.100
  272   1HB   HIS  32          2HB       HIS  32  18.395  -1.130   6.276
  273   2HB   HIS  32          1HB       HIS  32  19.107   0.380   5.698
  274    HD1  HIS  32          1HD       HIS  32  18.600   2.278   7.210
  275    HD2  HIS  32          2HD       HIS  32  15.488  -0.495   7.163
  276    HE1  HIS  32          1HE       HIS  32  16.828   3.162   8.788
  277    H    THR  33           H        THR  33  16.794  -1.214   2.242
  278    HA   THR  33           HA       THR  33  17.774  -2.759   0.749
  279    HB   THR  33           HB       THR  33  20.479  -1.690   1.240
  280    HG1  THR  33          1HG       THR  33  19.846   0.388   0.492
  281   1HG2  THR  33          3HG2      THR  33  18.593  -2.169  -1.027
  282   2HG2  THR  33          2HG2      THR  33  19.885  -0.990  -1.257
  283   3HG2  THR  33          1HG2      THR  33  20.276  -2.660  -0.846
  284    H    ALA  34           H        ALA  34  17.650  -4.762   1.803
  285    HA   ALA  34           HA       ALA  34  19.722  -5.482   3.778
  286   1HB   ALA  34          3HB       ALA  34  17.354  -6.203   4.088
  287   2HB   ALA  34          2HB       ALA  34  17.478  -7.161   2.613
  288   3HB   ALA  34          1HB       ALA  34  18.466  -7.568   4.015
   
  No H/Q in entry =         288
  Start of MODEL   10
    1   1H    ALA   1          2HT       ALA   1  -4.965  23.755  -6.213
    2   2H    ALA   1          1HT       ALA   1  -3.835  25.021  -6.307
    3   3H    ALA   1          3HT       ALA   1  -4.323  24.216  -7.717
    4    HA   ALA   1           HA       ALA   1  -2.687  22.765  -7.498
    5   1HB   ALA   1          1HB       ALA   1  -1.663  24.778  -6.269
    6   2HB   ALA   1          3HB       ALA   1  -2.058  23.924  -4.778
    7   3HB   ALA   1          2HB       ALA   1  -0.944  23.202  -5.938
    8    H    VAL   2           H        VAL   2  -2.410  20.652  -6.729
    9    HA   VAL   2           HA       VAL   2  -4.458  19.277  -5.522
   10    HB   VAL   2           HB       VAL   2  -2.608  18.055  -6.457
   11   1HG1  VAL   2          1HG1      VAL   2  -0.955  19.898  -5.653
   12   2HG1  VAL   2          3HG1      VAL   2  -0.839  18.935  -4.181
   13   3HG1  VAL   2          2HG1      VAL   2  -0.375  18.234  -5.731
   14   1HG2  VAL   2          3HG2      VAL   2  -2.797  17.677  -3.453
   15   2HG2  VAL   2          2HG2      VAL   2  -3.759  16.858  -4.684
   16   3HG2  VAL   2          1HG2      VAL   2  -2.033  16.523  -4.546
   17    H    SER   3           H        SER   3  -4.903  18.564  -3.344
   18    HA   SER   3           HA       SER   3  -4.184  20.590  -1.328
   19   1HB   SER   3          2HB       SER   3  -6.363  20.124  -0.869
   20   2HB   SER   3          1HB       SER   3  -6.293  18.560  -1.682
   21    HG   SER   3           HG       SER   3  -6.542  18.177   0.491
   22    H    GLU   4           H        GLU   4  -3.042  20.114   0.595
   23    HA   GLU   4           HA       GLU   4  -0.959  18.174   0.413
   24   1HB   GLU   4          2HB       GLU   4  -1.041  20.279   1.872
   25   2HB   GLU   4          1HB       GLU   4  -2.015  19.335   2.996
   26   1HG   GLU   4          2HG       GLU   4   0.288  17.798   2.195
   27   2HG   GLU   4          1HG       GLU   4   0.809  19.375   2.789
   28    H    HIS   5           H        HIS   5  -3.617  18.200   2.813
   29    HA   HIS   5           HA       HIS   5  -3.371  15.648   3.801
   30   1HB   HIS   5          2HB       HIS   5  -5.452  17.588   3.654
   31   2HB   HIS   5          1HB       HIS   5  -6.134  15.984   3.380
   32    HD1  HIS   5          1HD       HIS   5  -5.510  14.146   5.271
   33    HD2  HIS   5          2HD       HIS   5  -4.819  18.128   6.284
   34    HE1  HIS   5          1HE       HIS   5  -5.245  14.207   7.791
   35    H    GLN   6           H        GLN   6  -4.847  16.558   0.706
   36    HA   GLN   6           HA       GLN   6  -6.003  14.175  -0.076
   37   1HB   GLN   6          2HB       GLN   6  -4.790  16.409  -1.441
   38   2HB   GLN   6          1HB       GLN   6  -4.587  14.910  -2.339
   39   1HG   GLN   6          2HG       GLN   6  -7.273  15.430  -1.167
   40   2HG   GLN   6          1HG       GLN   6  -6.805  16.420  -2.549
   41   1HE2  GLN   6          2HE2      GLN   6  -8.340  13.439  -4.067
   42   2HE2  GLN   6          1HE2      GLN   6  -8.838  14.833  -3.219
   43    H    LEU   7           H        LEU   7  -5.115  12.345  -1.339
   44    HA   LEU   7           HA       LEU   7  -3.464  10.724  -1.814
   45   1HB   LEU   7          2HB       LEU   7  -2.011  13.151  -1.698
   46   2HB   LEU   7          1HB       LEU   7  -1.125  11.994  -0.704
   47    HG   LEU   7           HG       LEU   7  -2.142  11.250  -3.447
   48   1HD1  LEU   7          3HD1      LEU   7   0.402  12.685  -2.670
   49   2HD1  LEU   7          2HD1      LEU   7   0.288  11.721  -4.142
   50   3HD1  LEU   7          1HD1      LEU   7  -0.757  13.124  -3.924
   51   1HD2  LEU   7          2HD2      LEU   7  -1.109   9.731  -1.444
   52   2HD2  LEU   7          1HD2      LEU   7  -0.903   9.345  -3.152
   53   3HD2  LEU   7          3HD2      LEU   7   0.374  10.192  -2.280
   54    H    LEU   8           H        LEU   8  -2.758  12.483   1.273
   55    HA   LEU   8           HA       LEU   8  -1.757  10.272   2.654
   56   1HB   LEU   8          2HB       LEU   8  -1.472  12.561   3.350
   57   2HB   LEU   8          1HB       LEU   8  -3.209  12.724   3.537
   58    HG   LEU   8           HG       LEU   8  -1.828  12.321   5.617
   59   1HD1  LEU   8          1HD1      LEU   8  -4.412  11.519   4.820
   60   2HD1  LEU   8          3HD1      LEU   8  -3.768  10.208   5.809
   61   3HD1  LEU   8          2HD1      LEU   8  -3.857  11.844   6.464
   62   1HD2  LEU   8          2HD2      LEU   8  -1.819   9.546   4.410
   63   2HD2  LEU   8          1HD2      LEU   8  -0.407  10.522   4.818
   64   3HD2  LEU   8          3HD2      LEU   8  -1.437   9.881   6.099
   65    H    HIS   9           H        HIS   9  -4.967  11.065   1.693
   66    HA   HIS   9           HA       HIS   9  -6.425   9.750   3.743
   67   1HB   HIS   9          2HB       HIS   9  -7.047  10.306   0.856
   68   2HB   HIS   9          1HB       HIS   9  -8.246   9.620   1.967
   69    HD1  HIS   9          1HD       HIS   9  -9.732  11.726   2.313
   70    HD2  HIS   9          2HD       HIS   9  -5.673  12.345   2.791
   71    HE1  HIS   9          1HE       HIS   9  -9.499  14.085   3.228
   72    H    ASP  10           H        ASP  10  -5.976   8.657   0.430
   73    HA   ASP  10           HA       ASP  10  -6.080   6.419  -0.375
   74   1HB   ASP  10          2HB       ASP  10  -3.862   7.043  -0.488
   75   2HB   ASP  10          1HB       ASP  10  -3.695   7.117   1.263
   76    H    LYS  11           H        LYS  11  -4.390   5.555   2.566
   77    HA   LYS  11           HA       LYS  11  -4.914   3.294   3.519
   78   1HB   LYS  11          2HB       LYS  11  -4.810   5.515   4.943
   79   2HB   LYS  11          1HB       LYS  11  -6.533   5.194   5.170
   80   1HG   LYS  11          2HG       LYS  11  -4.270   3.267   5.784
   81   2HG   LYS  11          1HG       LYS  11  -5.239   4.142   6.971
   82   1HD   LYS  11          2HD       LYS  11  -7.283   3.031   5.900
   83   2HD   LYS  11          1HD       LYS  11  -6.142   1.967   5.078
   84   1HE   LYS  11          2HE       LYS  11  -5.565   2.221   7.933
   85   2HE   LYS  11          1HE       LYS  11  -7.176   1.572   7.626
   86   1HZ   LYS  11          2HZ       LYS  11  -4.936   0.524   6.058
   87   2HZ   LYS  11          1HZ       LYS  11  -5.079   0.027   7.676
   88   3HZ   LYS  11          3HZ       LYS  11  -6.348  -0.259   6.589
   89    H    GLY  12           H        GLY  12  -6.369   2.216   1.997
   90   1HA   GLY  12          2HA       GLY  12  -8.640   1.090   2.792
   91   2HA   GLY  12          1HA       GLY  12  -9.268   2.701   2.421
   92    H    LYS  13           H        LYS  13  -7.103   2.872   0.276
   93    HA   LYS  13           HA       LYS  13  -8.676   1.954  -1.933
   94   1HB   LYS  13          2HB       LYS  13  -6.036   3.212  -1.582
   95   2HB   LYS  13          1HB       LYS  13  -6.383   2.438  -3.127
   96   1HG   LYS  13          2HG       LYS  13  -8.367   4.340  -1.909
   97   2HG   LYS  13          1HG       LYS  13  -6.985   4.963  -2.817
   98   1HD   LYS  13          2HD       LYS  13  -7.855   4.299  -4.802
   99   2HD   LYS  13          1HD       LYS  13  -8.332   2.728  -4.153
  100   1HE   LYS  13          2HE       LYS  13 -10.267   3.853  -3.018
  101   2HE   LYS  13          1HE       LYS  13  -9.831   5.347  -3.848
  102   1HZ   LYS  13          1HZ       LYS  13  -9.900   3.309  -5.747
  103   2HZ   LYS  13          3HZ       LYS  13 -11.316   3.174  -4.825
  104   3HZ   LYS  13          2HZ       LYS  13 -10.948   4.638  -5.602
  105    H    SER  14           H        SER  14  -8.748  -0.195  -0.716
  106    HA   SER  14           HA       SER  14  -8.015  -2.420  -0.651
  107   1HB   SER  14          2HB       SER  14  -6.820  -2.580  -3.227
  108   2HB   SER  14          1HB       SER  14  -8.426  -3.133  -2.752
  109    HG   SER  14           HG       SER  14  -8.642  -1.599  -4.365
  110    H    ILE  15           H        ILE  15  -6.385  -2.440   0.828
  111    HA   ILE  15           HA       ILE  15  -3.899  -1.317   0.786
  112    HB   ILE  15           HB       ILE  15  -4.933  -3.876   1.778
  113   1HG1  ILE  15          2HG1      ILE  15  -4.757  -1.421   2.757
  114   2HG1  ILE  15          1HG1      ILE  15  -4.615  -2.819   3.805
  115   1HG2  ILE  15          1HG2      ILE  15  -1.962  -3.306   1.573
  116   2HG2  ILE  15          3HG2      ILE  15  -2.661  -4.539   2.622
  117   3HG2  ILE  15          2HG2      ILE  15  -2.816  -4.680   0.871
  118   1HD1  ILE  15          3HD1      ILE  15  -2.144  -1.740   2.490
  119   2HD1  ILE  15          2HD1      ILE  15  -2.806  -0.882   3.882
  120   3HD1  ILE  15          1HD1      ILE  15  -2.306  -2.566   4.042
  121    H    GLN  16           H        GLN  16  -5.129  -3.825  -1.205
  122    HA   GLN  16           HA       GLN  16  -3.148  -4.976  -2.693
  123   1HB   GLN  16          2HB       GLN  16  -5.274  -3.270  -4.034
  124   2HB   GLN  16          1HB       GLN  16  -4.655  -4.848  -4.553
  125   1HG   GLN  16          2HG       GLN  16  -6.561  -4.204  -2.301
  126   2HG   GLN  16          1HG       GLN  16  -6.798  -5.310  -3.653
  127   1HE2  GLN  16          2HE2      GLN  16  -5.889  -7.273  -0.552
  128   2HE2  GLN  16          1HE2      GLN  16  -7.102  -6.133  -0.887
  129    H    ASP  17           H        ASP  17  -4.213  -1.579  -2.712
  130    HA   ASP  17           HA       ASP  17  -2.066  -0.867  -4.622
  131   1HB   ASP  17          2HB       ASP  17  -4.236   0.270  -4.841
  132   2HB   ASP  17          1HB       ASP  17  -4.109   0.860  -3.184
  133    H    LEU  18           H        LEU  18  -2.871  -0.200  -1.186
  134    HA   LEU  18           HA       LEU  18  -0.659   1.425  -0.541
  135   1HB   LEU  18          2HB       LEU  18  -2.545  -0.067   0.919
  136   2HB   LEU  18          1HB       LEU  18  -0.983  -0.712   1.421
  137    HG   LEU  18           HG       LEU  18  -1.469   1.129   2.883
  138   1HD1  LEU  18          2HD1      LEU  18   0.819   0.974   1.477
  139   2HD1  LEU  18          1HD1      LEU  18   0.275   2.564   0.942
  140   3HD1  LEU  18          3HD1      LEU  18   0.526   2.251   2.658
  141   1HD2  LEU  18          3HD2      LEU  18  -3.155   2.088   1.153
  142   2HD2  LEU  18          2HD2      LEU  18  -2.280   3.229   2.172
  143   3HD2  LEU  18          1HD2      LEU  18  -1.767   2.962   0.506
  144    H    ARG  19           H        ARG  19  -0.926  -1.888  -1.440
  145    HA   ARG  19           HA       ARG  19   1.728  -2.788  -0.757
  146   1HB   ARG  19          2HB       ARG  19   0.216  -4.533  -1.048
  147   2HB   ARG  19          1HB       ARG  19  -0.637  -3.708  -2.341
  148   1HG   ARG  19          2HG       ARG  19   1.323  -4.108  -3.836
  149   2HG   ARG  19          1HG       ARG  19   2.062  -5.071  -2.553
  150   1HD   ARG  19          2HD       ARG  19  -0.226  -5.707  -4.331
  151   2HD   ARG  19          1HD       ARG  19   0.971  -6.785  -3.616
  152    HE   ARG  19           HE       ARG  19  -1.500  -5.817  -2.262
  153   1HH1  ARG  19          1HH1      ARG  19   1.555  -7.289  -1.874
  154   2HH1  ARG  19          2HH1      ARG  19   0.992  -8.520  -0.795
  155   1HH2  ARG  19          1HH2      ARG  19  -2.344  -7.615  -1.078
  156   2HH2  ARG  19          2HH2      ARG  19  -1.215  -8.703  -0.342
  157    H    ARG  20           H        ARG  20   0.170  -1.890  -3.868
  158    HA   ARG  20           HA       ARG  20   2.544  -2.041  -5.380
  159   1HB   ARG  20          2HB       ARG  20   1.397  -0.953  -7.117
  160   2HB   ARG  20          1HB       ARG  20   0.137  -1.780  -6.202
  161   1HG   ARG  20          2HG       ARG  20  -0.441   0.287  -5.053
  162   2HG   ARG  20          1HG       ARG  20   0.895   1.132  -5.833
  163   1HD   ARG  20          2HD       ARG  20  -1.019  -0.279  -7.620
  164   2HD   ARG  20          1HD       ARG  20  -1.616   1.174  -6.814
  165    HE   ARG  20           HE       ARG  20   0.945   1.745  -7.934
  166   1HH1  ARG  20          1HH1      ARG  20  -1.914   0.418  -9.226
  167   2HH1  ARG  20          2HH1      ARG  20  -2.028   1.546 -10.535
  168   1HH2  ARG  20          1HH2      ARG  20   0.643   3.476  -9.453
  169   2HH2  ARG  20          2HH2      ARG  20  -0.580   3.279 -10.663
  170    H    ARG  21           H        ARG  21   1.376   0.497  -3.249
  171    HA   ARG  21           HA       ARG  21   3.187   2.545  -4.122
  172   1HB   ARG  21          2HB       ARG  21   1.625   1.957  -1.670
  173   2HB   ARG  21          1HB       ARG  21   3.112   2.868  -1.387
  174   1HG   ARG  21          2HG       ARG  21   2.442   4.605  -2.890
  175   2HG   ARG  21          1HG       ARG  21   1.107   3.638  -3.517
  176   1HD   ARG  21          2HD       ARG  21   0.654   5.506  -1.703
  177   2HD   ARG  21          1HD       ARG  21  -0.202   3.965  -1.624
  178    HE   ARG  21           HE       ARG  21   1.713   3.298   0.004
  179   1HH1  ARG  21          1HH1      ARG  21  -0.152   4.409   1.733
  180   2HH1  ARG  21          2HH1      ARG  21   0.555   5.867   2.345
  181   1HH2  ARG  21          1HH2      ARG  21   2.934   6.080  -0.170
  182   2HH2  ARG  21          2HH2      ARG  21   2.307   6.813   1.268
  183    H    PHE  22           H        PHE  22   3.475  -0.406  -2.330
  184    HA   PHE  22           HA       PHE  22   6.315   0.096  -1.702
  185   1HB   PHE  22          2HB       PHE  22   4.579  -2.237  -1.010
  186   2HB   PHE  22          1HB       PHE  22   6.187  -1.914  -0.365
  187    HD1  PHE  22          1HD       PHE  22   3.007  -1.893   0.642
  188    HD2  PHE  22          2HD       PHE  22   6.225   0.889   0.091
  189    HE1  PHE  22          1HE       PHE  22   1.966  -0.361   2.279
  190    HE2  PHE  22          2HE       PHE  22   5.190   2.415   1.732
  191    HZ   PHE  22           HZ       PHE  22   3.073   1.776   2.791
  192    H    PHE  23           H        PHE  23   4.205  -1.616  -3.849
  193    HA   PHE  23           HA       PHE  23   5.267  -3.821  -4.880
  194   1HB   PHE  23          2HB       PHE  23   4.110  -1.511  -6.178
  195   2HB   PHE  23          1HB       PHE  23   5.315  -2.257  -7.213
  196    HD1  PHE  23          1HD       PHE  23   3.422  -4.134  -4.687
  197    HD2  PHE  23          2HD       PHE  23   3.765  -3.045  -8.823
  198    HE1  PHE  23          1HE       PHE  23   1.775  -5.883  -5.289
  199    HE2  PHE  23          2HE       PHE  23   2.125  -4.793  -9.423
  200    HZ   PHE  23           HZ       PHE  23   1.146  -6.182  -7.651
  201    H    LEU  24           H        LEU  24   6.633  -0.899  -6.378
  202    HA   LEU  24           HA       LEU  24   9.100  -2.220  -7.054
  203   1HB   LEU  24          2HB       LEU  24   8.752   0.774  -6.824
  204   2HB   LEU  24          1HB       LEU  24   9.798  -0.123  -7.926
  205    HG   LEU  24           HG       LEU  24   7.223  -1.101  -8.437
  206   1HD1  LEU  24          3HD1      LEU  24   7.237   1.914  -8.102
  207   2HD1  LEU  24          2HD1      LEU  24   5.987   1.016  -8.963
  208   3HD1  LEU  24          1HD1      LEU  24   6.221   0.762  -7.234
  209   1HD2  LEU  24          1HD2      LEU  24   9.372   0.316  -9.768
  210   2HD2  LEU  24          3HD2      LEU  24   8.212  -0.826 -10.447
  211   3HD2  LEU  24          2HD2      LEU  24   7.808   0.888 -10.351
  212    H    HIS  25           H        HIS  25   8.206   0.116  -4.491
  213    HA   HIS  25           HA       HIS  25  10.716   0.500  -3.320
  214   1HB   HIS  25          2HB       HIS  25   8.304   1.317  -2.599
  215   2HB   HIS  25          1HB       HIS  25   8.385  -0.081  -1.520
  216    HD1  HIS  25          1HD       HIS  25   8.415   2.683  -0.232
  217    HD2  HIS  25          2HD       HIS  25  11.893   0.695  -1.386
  218    HE1  HIS  25          1HE       HIS  25  10.297   3.674   1.143
  219    H    HIS  26           H        HIS  26   8.720  -2.374  -3.332
  220    HA   HIS  26           HA       HIS  26  10.217  -3.738  -1.267
  221   1HB   HIS  26          2HB       HIS  26   7.771  -4.139  -2.314
  222   2HB   HIS  26          1HB       HIS  26   8.718  -5.314  -3.229
  223    HD1  HIS  26          1HD       HIS  26   9.377  -4.262   0.325
  224    HD2  HIS  26          2HD       HIS  26   8.121  -7.630  -1.779
  225    HE1  HIS  26          1HE       HIS  26   9.351  -6.160   1.980
  226    H    LEU  27           H        LEU  27  10.001  -4.054  -4.811
  227    HA   LEU  27           HA       LEU  27  12.308  -5.870  -4.841
  228   1HB   LEU  27          2HB       LEU  27  11.029  -4.600  -7.263
  229   2HB   LEU  27          1HB       LEU  27  11.856  -6.154  -7.145
  230    HG   LEU  27           HG       LEU  27   9.354  -5.614  -5.555
  231   1HD1  LEU  27          1HD1      LEU  27   9.644  -6.144  -8.470
  232   2HD1  LEU  27          3HD1      LEU  27   8.407  -7.065  -7.613
  233   3HD1  LEU  27          2HD1      LEU  27   8.360  -5.303  -7.601
  234   1HD2  LEU  27          2HD2      LEU  27  10.759  -7.578  -5.000
  235   2HD2  LEU  27          1HD2      LEU  27   9.194  -8.071  -5.648
  236   3HD2  LEU  27          3HD2      LEU  27  10.631  -8.131  -6.670
  237    H    ILE  28           H        ILE  28  13.233  -3.620  -3.692
  238    HA   ILE  28           HA       ILE  28  15.159  -2.648  -5.685
  239    HB   ILE  28           HB       ILE  28  13.100  -1.117  -5.782
  240   1HG1  ILE  28          2HG1      ILE  28  14.611   0.969  -5.596
  241   2HG1  ILE  28          1HG1      ILE  28  15.894  -0.155  -5.146
  242   1HG2  ILE  28          1HG2      ILE  28  12.775  -1.154  -3.280
  243   2HG2  ILE  28          3HG2      ILE  28  14.225  -0.163  -3.135
  244   3HG2  ILE  28          2HG2      ILE  28  12.810   0.464  -3.979
  245   1HD1  ILE  28          2HD1      ILE  28  15.161  -1.465  -7.283
  246   2HD1  ILE  28          1HD1      ILE  28  14.403   0.057  -7.751
  247   3HD1  ILE  28          3HD1      ILE  28  16.143  -0.013  -7.474
  248    H    ALA  29           H        ALA  29  13.946  -2.551  -2.350
  249    HA   ALA  29           HA       ALA  29  16.365  -3.217  -1.135
  250   1HB   ALA  29          2HB       ALA  29  16.344  -0.489  -2.085
  251   2HB   ALA  29          1HB       ALA  29  16.462  -0.515  -0.325
  252   3HB   ALA  29          3HB       ALA  29  17.652  -1.375  -1.302
  253    H    GLU  30           H        GLU  30  16.001  -3.543   1.047
  254    HA   GLU  30           HA       GLU  30  13.729  -2.108   2.322
  255   1HB   GLU  30          2HB       GLU  30  13.144  -4.448   3.343
  256   2HB   GLU  30          1HB       GLU  30  12.575  -4.060   1.715
  257   1HG   GLU  30          2HG       GLU  30  13.853  -5.671   0.779
  258   2HG   GLU  30          1HG       GLU  30  15.274  -5.188   1.713
  259    H    ILE  31           H        ILE  31  15.942  -1.188   3.136
  260    HA   ILE  31           HA       ILE  31  16.563  -2.607   5.676
  261    HB   ILE  31           HB       ILE  31  18.804  -1.246   4.247
  262   1HG1  ILE  31          2HG1      ILE  31  17.712  -2.735   2.543
  263   2HG1  ILE  31          1HG1      ILE  31  19.343  -3.254   2.975
  264   1HG2  ILE  31          1HG2      ILE  31  18.399  -2.967   6.517
  265   2HG2  ILE  31          3HG2      ILE  31  19.501  -3.747   5.382
  266   3HG2  ILE  31          2HG2      ILE  31  19.873  -2.142   6.010
  267   1HD1  ILE  31          2HD1      ILE  31  17.307  -4.396   4.736
  268   2HD1  ILE  31          1HD1      ILE  31  17.066  -4.844   3.047
  269   3HD1  ILE  31          3HD1      ILE  31  18.599  -5.202   3.846
  270    H    HIS  32           H        HIS  32  16.049  -1.174   7.237
  271    HA   HIS  32           HA       HIS  32  15.565   0.902   8.248
  272   1HB   HIS  32          2HB       HIS  32  18.360   1.036   7.183
  273   2HB   HIS  32          1HB       HIS  32  17.647   2.514   7.836
  274    HD1  HIS  32          1HD       HIS  32  17.791   2.775  10.312
  275    HD2  HIS  32          2HD       HIS  32  18.129  -1.220   9.172
  276    HE1  HIS  32          1HE       HIS  32  18.262   1.464  12.428
  277    H    THR  33           H        THR  33  14.015   0.876   6.123
  278    HA   THR  33           HA       THR  33  12.919   2.237   4.558
  279    HB   THR  33           HB       THR  33  14.294   4.728   4.999
  280    HG1  THR  33          1HG       THR  33  14.107   4.841   7.215
  281   1HG2  THR  33          2HG2      THR  33  11.623   3.558   5.111
  282   2HG2  THR  33          1HG2      THR  33  11.872   4.773   6.366
  283   3HG2  THR  33          3HG2      THR  33  12.111   5.194   4.669
  284    H    ALA  34           H        ALA  34  13.358   3.566   2.557
  285    HA   ALA  34           HA       ALA  34  14.628   4.045   0.633
  286   1HB   ALA  34          2HB       ALA  34  16.313   4.786   2.525
  287   2HB   ALA  34          1HB       ALA  34  17.160   3.308   2.066
  288   3HB   ALA  34          3HB       ALA  34  16.885   4.575   0.871
   
  No H/Q in entry =         288
  Start of MODEL   11
    1   1H    ALA   1          3HT       ALA   1  -7.775  14.066 -12.184
    2   2H    ALA   1          2HT       ALA   1  -9.217  14.624 -12.889
    3   3H    ALA   1          1HT       ALA   1  -7.847  15.630 -12.838
    4    HA   ALA   1           HA       ALA   1  -8.980  16.495 -11.085
    5   1HB   ALA   1          1HB       ALA   1 -10.000  13.677 -10.615
    6   2HB   ALA   1          3HB       ALA   1 -10.394  15.059  -9.594
    7   3HB   ALA   1          2HB       ALA   1 -10.915  15.031 -11.278
    8    H    VAL   2           H        VAL   2  -6.416  16.283 -10.901
    9    HA   VAL   2           HA       VAL   2  -5.071  14.486  -9.306
   10    HB   VAL   2           HB       VAL   2  -3.965  16.431 -10.309
   11   1HG1  VAL   2          3HG1      VAL   2  -6.022  17.907  -9.474
   12   2HG1  VAL   2          2HG1      VAL   2  -4.947  18.200  -8.107
   13   3HG1  VAL   2          1HG1      VAL   2  -4.433  18.624  -9.739
   14   1HG2  VAL   2          3HG2      VAL   2  -3.343  15.279  -7.916
   15   2HG2  VAL   2          2HG2      VAL   2  -2.334  16.489  -8.709
   16   3HG2  VAL   2          1HG2      VAL   2  -3.459  16.974  -7.442
   17    H    SER   3           H        SER   3  -7.308  16.999  -8.230
   18    HA   SER   3           HA       SER   3  -8.065  17.545  -6.064
   19   1HB   SER   3          2HB       SER   3  -9.422  15.836  -5.286
   20   2HB   SER   3          1HB       SER   3  -9.118  15.296  -6.940
   21    HG   SER   3           HG       SER   3  -8.765  13.669  -5.312
   22    H    GLU   4           H        GLU   4  -6.391  18.406  -4.853
   23    HA   GLU   4           HA       GLU   4  -4.049  17.322  -3.911
   24   1HB   GLU   4          2HB       GLU   4  -4.860  19.627  -3.412
   25   2HB   GLU   4          1HB       GLU   4  -5.957  18.953  -2.213
   26   1HG   GLU   4          2HG       GLU   4  -3.750  17.819  -1.293
   27   2HG   GLU   4          1HG       GLU   4  -2.967  19.151  -2.145
   28    H    HIS   5           H        HIS   5  -7.257  16.865  -2.437
   29    HA   HIS   5           HA       HIS   5  -6.613  15.432  -0.175
   30   1HB   HIS   5          2HB       HIS   5  -8.900  15.680  -1.866
   31   2HB   HIS   5          1HB       HIS   5  -8.737  14.007  -1.334
   32    HD1  HIS   5          1HD       HIS   5  -8.381  13.744   1.376
   33    HD2  HIS   5          2HD       HIS   5  -9.979  17.349   0.032
   34    HE1  HIS   5          1HE       HIS   5  -9.453  14.846   3.391
   35    H    GLN   6           H        GLN   6  -6.407  14.332  -3.505
   36    HA   GLN   6           HA       GLN   6  -6.225  11.592  -3.240
   37   1HB   GLN   6          2HB       GLN   6  -5.080  13.564  -5.029
   38   2HB   GLN   6          1HB       GLN   6  -4.068  12.132  -4.867
   39   1HG   GLN   6          2HG       GLN   6  -7.022  12.137  -5.552
   40   2HG   GLN   6          1HG       GLN   6  -5.708  11.860  -6.696
   41   1HE2  GLN   6          2HE2      GLN   6  -5.144   8.512  -5.654
   42   2HE2  GLN   6          1HE2      GLN   6  -4.563   9.816  -6.587
   43    H    LEU   7           H        LEU   7  -4.280  10.180  -2.962
   44    HA   LEU   7           HA       LEU   7  -2.284   9.572  -1.860
   45   1HB   LEU   7          2HB       LEU   7  -1.922  12.327  -2.480
   46   2HB   LEU   7          1HB       LEU   7  -1.411  12.097  -0.808
   47    HG   LEU   7           HG       LEU   7  -0.520  10.269  -3.049
   48   1HD1  LEU   7          1HD1      LEU   7   0.439  12.961  -2.236
   49   2HD1  LEU   7          3HD1      LEU   7   1.682  11.735  -2.478
   50   3HD1  LEU   7          2HD1      LEU   7   0.576  12.140  -3.790
   51   1HD2  LEU   7          2HD2      LEU   7  -0.367  10.068  -0.276
   52   2HD2  LEU   7          1HD2      LEU   7   0.637   9.189  -1.429
   53   3HD2  LEU   7          3HD2      LEU   7   1.214  10.702  -0.731
   54    H    LEU   8           H        LEU   8  -3.943  12.295  -0.152
   55    HA   LEU   8           HA       LEU   8  -3.325  11.461   2.434
   56   1HB   LEU   8          2HB       LEU   8  -4.166  13.652   2.056
   57   2HB   LEU   8          1HB       LEU   8  -5.618  13.000   1.303
   58    HG   LEU   8           HG       LEU   8  -6.269  11.959   3.390
   59   1HD1  LEU   8          1HD1      LEU   8  -3.518  12.474   3.982
   60   2HD1  LEU   8          3HD1      LEU   8  -4.509  13.255   5.215
   61   3HD1  LEU   8          2HD1      LEU   8  -4.674  11.523   4.919
   62   1HD2  LEU   8          3HD2      LEU   8  -5.576  14.901   3.534
   63   2HD2  LEU   8          2HD2      LEU   8  -7.124  14.187   3.085
   64   3HD2  LEU   8          1HD2      LEU   8  -6.562  14.096   4.754
   65    H    HIS   9           H        HIS   9  -5.786  10.375   0.188
   66    HA   HIS   9           HA       HIS   9  -7.407   9.013   2.097
   67   1HB   HIS   9          2HB       HIS   9  -7.058   8.689  -0.868
   68   2HB   HIS   9          1HB       HIS   9  -8.285   7.795   0.048
   69    HD1  HIS   9          1HD       HIS   9 -10.403   9.112  -0.697
   70    HD2  HIS   9          2HD       HIS   9  -7.244  11.450   0.591
   71    HE1  HIS   9          1HE       HIS   9 -11.312  11.482  -0.558
   72    H    ASP  10           H        ASP  10  -5.196   7.727  -0.338
   73    HA   ASP  10           HA       ASP  10  -4.199   5.569  -0.396
   74   1HB   ASP  10          2HB       ASP  10  -2.509   6.976   0.209
   75   2HB   ASP  10          1HB       ASP  10  -3.262   7.396   1.744
   76    H    LYS  11           H        LYS  11  -4.041   5.819   3.116
   77    HA   LYS  11           HA       LYS  11  -4.519   3.190   3.755
   78   1HB   LYS  11          2HB       LYS  11  -4.426   5.576   5.170
   79   2HB   LYS  11          1HB       LYS  11  -6.037   4.946   5.534
   80   1HG   LYS  11          2HG       LYS  11  -3.396   3.497   5.894
   81   2HG   LYS  11          1HG       LYS  11  -4.484   4.046   7.171
   82   1HD   LYS  11          2HD       LYS  11  -6.266   2.558   6.072
   83   2HD   LYS  11          1HD       LYS  11  -4.941   1.841   5.156
   84   1HE   LYS  11          2HE       LYS  11  -5.016   0.429   7.005
   85   2HE   LYS  11          1HE       LYS  11  -3.819   1.612   7.531
   86   1HZ   LYS  11          2HZ       LYS  11  -6.524   2.396   8.090
   87   2HZ   LYS  11          1HZ       LYS  11  -6.075   0.958   8.875
   88   3HZ   LYS  11          3HZ       LYS  11  -5.169   2.371   9.114
   89    H    GLY  12           H        GLY  12  -6.028   2.143   2.428
   90   1HA   GLY  12          2HA       GLY  12  -8.491   1.474   2.901
   91   2HA   GLY  12          1HA       GLY  12  -8.830   3.168   2.528
   92    H    LYS  13           H        LYS  13  -6.587   3.156   0.498
   93    HA   LYS  13           HA       LYS  13  -8.124   2.393  -1.802
   94   1HB   LYS  13          2HB       LYS  13  -5.247   3.106  -1.486
   95   2HB   LYS  13          1HB       LYS  13  -6.017   2.856  -3.048
   96   1HG   LYS  13          2HG       LYS  13  -7.210   4.795  -1.083
   97   2HG   LYS  13          1HG       LYS  13  -5.835   5.292  -2.077
   98   1HD   LYS  13          2HD       LYS  13  -7.032   5.153  -4.051
   99   2HD   LYS  13          1HD       LYS  13  -8.126   3.920  -3.423
  100   1HE   LYS  13          2HE       LYS  13  -9.576   5.689  -3.311
  101   2HE   LYS  13          1HE       LYS  13  -8.761   5.960  -1.770
  102   1HZ   LYS  13          1HZ       LYS  13  -7.801   7.144  -4.308
  103   2HZ   LYS  13          3HZ       LYS  13  -8.922   7.930  -3.306
  104   3HZ   LYS  13          2HZ       LYS  13  -7.367   7.572  -2.722
  105    H    SER  14           H        SER  14  -8.479   0.266  -0.639
  106    HA   SER  14           HA       SER  14  -7.921  -2.015  -0.445
  107   1HB   SER  14          2HB       SER  14  -6.928  -2.036  -3.217
  108   2HB   SER  14          1HB       SER  14  -8.251  -2.954  -2.494
  109    HG   SER  14           HG       SER  14  -9.431  -0.919  -2.516
  110    H    ILE  15           H        ILE  15  -6.254  -2.182   0.918
  111    HA   ILE  15           HA       ILE  15  -3.654  -1.470   0.877
  112    HB   ILE  15           HB       ILE  15  -5.140  -3.698   1.842
  113   1HG1  ILE  15          2HG1      ILE  15  -3.641  -1.634   2.752
  114   2HG1  ILE  15          1HG1      ILE  15  -4.161  -2.981   3.751
  115   1HG2  ILE  15          2HG2      ILE  15  -2.377  -4.336   0.808
  116   2HG2  ILE  15          1HG2      ILE  15  -3.075  -5.212   2.170
  117   3HG2  ILE  15          3HG2      ILE  15  -3.863  -5.260   0.593
  118   1HD1  ILE  15          2HD1      ILE  15  -1.634  -3.239   2.141
  119   2HD1  ILE  15          1HD1      ILE  15  -1.594  -2.291   3.632
  120   3HD1  ILE  15          3HD1      ILE  15  -2.046  -3.998   3.683
  121    H    GLN  16           H        GLN  16  -5.171  -3.831  -1.123
  122    HA   GLN  16           HA       GLN  16  -3.349  -5.067  -2.692
  123   1HB   GLN  16          2HB       GLN  16  -5.395  -5.332  -3.709
  124   2HB   GLN  16          1HB       GLN  16  -5.994  -3.839  -2.966
  125   1HG   GLN  16          2HG       GLN  16  -6.090  -3.624  -5.377
  126   2HG   GLN  16          1HG       GLN  16  -4.869  -2.532  -4.729
  127   1HE2  GLN  16          2HE2      GLN  16  -2.680  -5.636  -5.945
  128   2HE2  GLN  16          1HE2      GLN  16  -3.498  -5.580  -4.463
  129    H    ASP  17           H        ASP  17  -4.200  -1.614  -2.745
  130    HA   ASP  17           HA       ASP  17  -2.069  -1.104  -4.738
  131   1HB   ASP  17          2HB       ASP  17  -3.906   0.891  -3.374
  132   2HB   ASP  17          1HB       ASP  17  -2.935   1.170  -4.821
  133    H    LEU  18           H        LEU  18  -2.809  -0.267  -1.330
  134    HA   LEU  18           HA       LEU  18  -0.541   1.331  -0.807
  135   1HB   LEU  18          2HB       LEU  18  -2.463   0.146   0.777
  136   2HB   LEU  18          1HB       LEU  18  -1.036  -0.793   1.204
  137    HG   LEU  18           HG       LEU  18  -1.649   2.077   1.724
  138   1HD1  LEU  18          2HD1      LEU  18  -0.097  -0.131   3.094
  139   2HD1  LEU  18          1HD1      LEU  18  -0.219   1.509   3.732
  140   3HD1  LEU  18          3HD1      LEU  18  -1.668   0.521   3.558
  141   1HD2  LEU  18          2HD2      LEU  18   1.043   1.074   0.822
  142   2HD2  LEU  18          1HD2      LEU  18   0.248   2.602   0.447
  143   3HD2  LEU  18          3HD2      LEU  18   0.948   2.339   2.044
  144    H    ARG  19           H        ARG  19  -0.947  -2.027  -1.493
  145    HA   ARG  19           HA       ARG  19   1.673  -2.985  -0.784
  146   1HB   ARG  19          2HB       ARG  19   0.122  -4.703  -1.077
  147   2HB   ARG  19          1HB       ARG  19  -0.689  -3.874  -2.397
  148   1HG   ARG  19          2HG       ARG  19   1.294  -4.343  -3.849
  149   2HG   ARG  19          1HG       ARG  19   1.971  -5.320  -2.541
  150   1HD   ARG  19          2HD       ARG  19  -0.351  -5.869  -4.324
  151   2HD   ARG  19          1HD       ARG  19   0.846  -6.985  -3.668
  152    HE   ARG  19           HE       ARG  19  -1.587  -6.030  -2.253
  153   1HH1  ARG  19          1HH1      ARG  19  -0.019  -8.791  -3.013
  154   2HH1  ARG  19          2HH1      ARG  19   0.138  -9.409  -1.402
  155   1HH2  ARG  19          1HH2      ARG  19  -0.827  -6.443   0.112
  156   2HH2  ARG  19          2HH2      ARG  19  -0.320  -8.080   0.367
  157    H    ARG  20           H        ARG  20   0.189  -1.769  -3.789
  158    HA   ARG  20           HA       ARG  20   2.623  -2.089  -5.278
  159   1HB   ARG  20          2HB       ARG  20   1.508  -1.128  -7.086
  160   2HB   ARG  20          1HB       ARG  20   0.210  -1.878  -6.158
  161   1HG   ARG  20          2HG       ARG  20  -0.547   0.189  -5.322
  162   2HG   ARG  20          1HG       ARG  20   0.971   1.005  -5.703
  163   1HD   ARG  20          2HD       ARG  20  -0.027   1.679  -7.613
  164   2HD   ARG  20          1HD       ARG  20   0.154   0.008  -8.155
  165    HE   ARG  20           HE       ARG  20  -2.229   0.184  -6.612
  166   1HH1  ARG  20          1HH1      ARG  20  -4.179   0.107  -7.765
  167   2HH1  ARG  20          2HH1      ARG  20  -4.233   0.711  -9.387
  168   1HH2  ARG  20          1HH2      ARG  20  -0.855   1.477  -9.502
  169   2HH2  ARG  20          2HH2      ARG  20  -2.354   1.488 -10.367
  170    H    ARG  21           H        ARG  21   1.278   0.518  -3.313
  171    HA   ARG  21           HA       ARG  21   3.102   2.562  -4.122
  172   1HB   ARG  21          2HB       ARG  21   1.390   2.026  -1.802
  173   2HB   ARG  21          1HB       ARG  21   2.913   2.790  -1.333
  174   1HG   ARG  21          2HG       ARG  21   1.651   4.671  -1.829
  175   2HG   ARG  21          1HG       ARG  21   2.373   4.358  -3.408
  176   1HD   ARG  21          2HD       ARG  21   0.082   4.629  -3.896
  177   2HD   ARG  21          1HD       ARG  21   0.285   2.879  -3.832
  178    HE   ARG  21           HE       ARG  21  -0.557   3.101  -1.410
  179   1HH1  ARG  21          1HH1      ARG  21  -3.035   2.939  -1.984
  180   2HH1  ARG  21          2HH1      ARG  21  -3.761   4.506  -2.119
  181   1HH2  ARG  21          1HH2      ARG  21  -0.736   6.174  -2.424
  182   2HH2  ARG  21          2HH2      ARG  21  -2.459   6.338  -2.366
  183    H    PHE  22           H        PHE  22   3.380  -0.372  -2.311
  184    HA   PHE  22           HA       PHE  22   6.181   0.161  -1.582
  185   1HB   PHE  22          2HB       PHE  22   4.425  -2.176  -0.960
  186   2HB   PHE  22          1HB       PHE  22   6.018  -1.876  -0.267
  187    HD1  PHE  22          1HD       PHE  22   2.932  -1.918   0.820
  188    HD2  PHE  22          2HD       PHE  22   5.953   1.025   0.039
  189    HE1  PHE  22          1HE       PHE  22   1.862  -0.382   2.435
  190    HE2  PHE  22          2HE       PHE  22   4.888   2.553   1.653
  191    HZ   PHE  22           HZ       PHE  22   2.856   1.836   2.819
  192    H    PHE  23           H        PHE  23   4.177  -1.649  -3.775
  193    HA   PHE  23           HA       PHE  23   5.368  -3.787  -4.809
  194   1HB   PHE  23          2HB       PHE  23   4.157  -1.497  -6.123
  195   2HB   PHE  23          1HB       PHE  23   5.377  -2.246  -7.136
  196    HD1  PHE  23          1HD       PHE  23   3.564  -4.185  -4.614
  197    HD2  PHE  23          2HD       PHE  23   3.762  -2.989  -8.731
  198    HE1  PHE  23          1HE       PHE  23   1.926  -5.944  -5.210
  199    HE2  PHE  23          2HE       PHE  23   2.132  -4.748  -9.323
  200    HZ   PHE  23           HZ       PHE  23   1.230  -6.190  -7.559
  201    H    LEU  24           H        LEU  24   6.564  -0.902  -6.456
  202    HA   LEU  24           HA       LEU  24   9.106  -2.001  -7.078
  203   1HB   LEU  24          2HB       LEU  24   8.693   0.959  -6.682
  204   2HB   LEU  24          1HB       LEU  24   9.674   0.136  -7.893
  205    HG   LEU  24           HG       LEU  24   6.668   0.404  -7.788
  206   1HD1  LEU  24          3HD1      LEU  24   8.909   1.269  -9.558
  207   2HD1  LEU  24          2HD1      LEU  24   7.376   0.864 -10.329
  208   3HD1  LEU  24          1HD1      LEU  24   7.439   2.131  -9.105
  209   1HD2  LEU  24          2HD2      LEU  24   8.364  -1.701  -9.098
  210   2HD2  LEU  24          1HD2      LEU  24   6.781  -1.860  -8.335
  211   3HD2  LEU  24          3HD2      LEU  24   6.921  -1.124  -9.932
  212    H    HIS  25           H        HIS  25   8.140   0.221  -4.441
  213    HA   HIS  25           HA       HIS  25  10.582   0.668  -3.203
  214   1HB   HIS  25          2HB       HIS  25   8.130   1.273  -2.458
  215   2HB   HIS  25          1HB       HIS  25   8.263  -0.206  -1.502
  216    HD1  HIS  25          1HD       HIS  25   8.639   0.712   0.817
  217    HD2  HIS  25          2HD       HIS  25  11.176   2.451  -1.995
  218    HE1  HIS  25          1HE       HIS  25  10.287   2.125   2.117
  219    H    HIS  26           H        HIS  26   8.693  -2.305  -3.229
  220    HA   HIS  26           HA       HIS  26  10.341  -3.691  -1.321
  221   1HB   HIS  26          2HB       HIS  26   7.885  -4.146  -2.411
  222   2HB   HIS  26          1HB       HIS  26   8.897  -5.327  -3.243
  223    HD1  HIS  26          1HD       HIS  26   9.458  -4.117   0.275
  224    HD2  HIS  26          2HD       HIS  26   8.272  -7.582  -1.709
  225    HE1  HIS  26          1HE       HIS  26   9.416  -5.945   2.008
  226    H    LEU  27           H        LEU  27   9.805  -4.644  -4.705
  227    HA   LEU  27           HA       LEU  27  12.202  -6.104  -4.967
  228   1HB   LEU  27          2HB       LEU  27  10.826  -4.597  -7.204
  229   2HB   LEU  27          1HB       LEU  27  11.808  -6.055  -7.343
  230    HG   LEU  27           HG       LEU  27   9.088  -5.775  -6.048
  231   1HD1  LEU  27          2HD1      LEU  27   9.996  -6.563  -8.623
  232   2HD1  LEU  27          1HD1      LEU  27   9.453  -8.026  -7.800
  233   3HD1  LEU  27          3HD1      LEU  27   8.355  -6.660  -7.983
  234   1HD2  LEU  27          2HD2      LEU  27  11.021  -8.115  -5.968
  235   2HD2  LEU  27          1HD2      LEU  27  10.526  -7.135  -4.588
  236   3HD2  LEU  27          3HD2      LEU  27   9.349  -8.161  -5.408
  237    H    ILE  28           H        ILE  28  11.563  -2.680  -5.762
  238    HA   ILE  28           HA       ILE  28  14.307  -2.239  -6.638
  239    HB   ILE  28           HB       ILE  28  12.034  -0.349  -5.974
  240   1HG1  ILE  28          2HG1      ILE  28  11.824  -1.740  -8.030
  241   2HG1  ILE  28          1HG1      ILE  28  12.001  -0.025  -8.409
  242   1HG2  ILE  28          1HG2      ILE  28  14.912   0.141  -6.465
  243   2HG2  ILE  28          3HG2      ILE  28  13.808   1.128  -7.423
  244   3HG2  ILE  28          2HG2      ILE  28  13.717   1.160  -5.661
  245   1HD1  ILE  28          2HD1      ILE  28  14.623  -0.877  -8.296
  246   2HD1  ILE  28          1HD1      ILE  28  13.803  -2.266  -9.009
  247   3HD1  ILE  28          3HD1      ILE  28  13.684  -0.683  -9.777
  248    H    ALA  29           H        ALA  29  12.946  -0.022  -4.299
  249    HA   ALA  29           HA       ALA  29  15.236   0.349  -2.795
  250   1HB   ALA  29          2HB       ALA  29  12.878   1.465  -2.606
  251   2HB   ALA  29          1HB       ALA  29  12.578   0.220  -1.393
  252   3HB   ALA  29          3HB       ALA  29  13.895   1.372  -1.168
  253    H    GLU  30           H        GLU  30  15.728  -0.438  -0.547
  254    HA   GLU  30           HA       GLU  30  16.460  -2.283   0.722
  255   1HB   GLU  30          2HB       GLU  30  14.653  -3.471   1.787
  256   2HB   GLU  30          1HB       GLU  30  14.129  -1.800   1.553
  257   1HG   GLU  30          2HG       GLU  30  12.653  -2.359  -0.159
  258   2HG   GLU  30          1HG       GLU  30  13.534  -3.833  -0.575
  259    H    ILE  31           H        ILE  31  15.899  -4.872   0.889
  260    HA   ILE  31           HA       ILE  31  16.036  -5.926  -1.891
  261    HB   ILE  31           HB       ILE  31  17.917  -7.329  -1.293
  262   1HG1  ILE  31          2HG1      ILE  31  18.844  -6.237   1.131
  263   2HG1  ILE  31          1HG1      ILE  31  17.130  -6.569   1.387
  264   1HG2  ILE  31          1HG2      ILE  31  18.376  -4.441  -0.508
  265   2HG2  ILE  31          3HG2      ILE  31  19.636  -5.578  -0.988
  266   3HG2  ILE  31          2HG2      ILE  31  18.408  -5.078  -2.152
  267   1HD1  ILE  31          3HD1      ILE  31  17.682  -8.859   0.228
  268   2HD1  ILE  31          2HD1      ILE  31  19.341  -8.481   0.691
  269   3HD1  ILE  31          1HD1      ILE  31  18.093  -8.628   1.927
  270    H    HIS  32           H        HIS  32  13.885  -6.667  -1.526
  271    HA   HIS  32           HA       HIS  32  12.247  -8.191  -0.794
  272   1HB   HIS  32          2HB       HIS  32  14.788  -9.829  -0.598
  273   2HB   HIS  32          1HB       HIS  32  13.179 -10.515  -0.353
  274    HD1  HIS  32          1HD       HIS  32  13.874 -11.936  -2.582
  275    HD2  HIS  32          2HD       HIS  32  13.130  -7.871  -3.131
  276    HE1  HIS  32          1HE       HIS  32  13.497 -11.606  -5.063
  277    H    THR  33           H        THR  33  11.780  -6.912   1.139
  278    HA   THR  33           HA       THR  33  11.338  -6.854   3.451
  279    HB   THR  33           HB       THR  33  13.006  -9.341   3.791
  280    HG1  THR  33          1HG       THR  33  11.008 -10.453   3.308
  281   1HG2  THR  33          3HG2      THR  33  12.022  -8.129   5.757
  282   2HG2  THR  33          2HG2      THR  33  10.421  -8.432   5.081
  283   3HG2  THR  33          1HG2      THR  33  11.436  -9.784   5.581
  284    H    ALA  34           H        ALA  34  12.467  -6.099   5.335
  285    HA   ALA  34           HA       ALA  34  15.382  -6.177   5.437
  286   1HB   ALA  34          3HB       ALA  34  14.010  -3.956   4.139
  287   2HB   ALA  34          2HB       ALA  34  14.973  -3.415   5.514
  288   3HB   ALA  34          1HB       ALA  34  15.735  -4.317   4.205
   
  No H/Q in entry =         288
  Start of MODEL   12
    1   1H    ALA   1          3HT       ALA   1 -20.303  -0.160  12.338
    2   2H    ALA   1          2HT       ALA   1 -20.360   1.066  11.163
    3   3H    ALA   1          1HT       ALA   1 -19.855  -0.499  10.737
    4    HA   ALA   1           HA       ALA   1 -17.813  -0.289  11.754
    5   1HB   ALA   1          3HB       ALA   1 -18.571   1.611   9.919
    6   2HB   ALA   1          2HB       ALA   1 -17.972   2.610  11.243
    7   3HB   ALA   1          1HB       ALA   1 -16.923   1.396  10.512
    8    H    VAL   2           H        VAL   2 -18.128  -0.608  14.036
    9    HA   VAL   2           HA       VAL   2 -19.129   1.112  15.942
   10    HB   VAL   2           HB       VAL   2 -18.212  -1.074  16.529
   11   1HG1  VAL   2          2HG1      VAL   2 -16.224  -0.739  14.907
   12   2HG1  VAL   2          1HG1      VAL   2 -15.443   0.095  16.251
   13   3HG1  VAL   2          3HG1      VAL   2 -15.908  -1.599  16.413
   14   1HG2  VAL   2          1HG2      VAL   2 -18.201   1.018  18.142
   15   2HG2  VAL   2          3HG2      VAL   2 -17.413  -0.480  18.641
   16   3HG2  VAL   2          2HG2      VAL   2 -16.450   0.856  18.011
   17    H    SER   3           H        SER   3 -15.841   1.244  14.552
   18    HA   SER   3           HA       SER   3 -15.622   4.010  15.674
   19   1HB   SER   3          2HB       SER   3 -13.955   2.503  16.646
   20   2HB   SER   3          1HB       SER   3 -13.436   2.004  15.035
   21    HG   SER   3           HG       SER   3 -12.054   3.594  15.508
   22    H    GLU   4           H        GLU   4 -13.667   5.106  14.223
   23    HA   GLU   4           HA       GLU   4 -14.884   5.416  11.589
   24   1HB   GLU   4          2HB       GLU   4 -13.927   7.357  12.729
   25   2HB   GLU   4          1HB       GLU   4 -12.346   6.579  12.776
   26   1HG   GLU   4          2HG       GLU   4 -11.884   7.319  10.704
   27   2HG   GLU   4          1HG       GLU   4 -13.334   6.532  10.077
   28    H    HIS   5           H        HIS   5 -11.541   4.610  12.588
   29    HA   HIS   5           HA       HIS   5 -10.451   3.831  10.212
   30   1HB   HIS   5          2HB       HIS   5  -9.966   3.219  12.954
   31   2HB   HIS   5          1HB       HIS   5  -9.713   1.772  11.978
   32    HD1  HIS   5          1HD       HIS   5  -8.218   2.343   9.669
   33    HD2  HIS   5          2HD       HIS   5  -7.764   4.847  12.969
   34    HE1  HIS   5          1HE       HIS   5  -6.034   3.583   9.331
   35    H    GLN   6           H        GLN   6 -12.669   1.829  12.148
   36    HA   GLN   6           HA       GLN   6 -12.556  -0.538  10.711
   37   1HB   GLN   6          2HB       GLN   6 -14.553   0.815  12.307
   38   2HB   GLN   6          1HB       GLN   6 -15.274  -0.184  11.048
   39   1HG   GLN   6          2HG       GLN   6 -13.092  -1.625  12.212
   40   2HG   GLN   6          1HG       GLN   6 -14.121  -1.031  13.517
   41   1HE2  GLN   6          2HE2      GLN   6 -16.303  -3.739  12.929
   42   2HE2  GLN   6          1HE2      GLN   6 -15.371  -2.855  14.054
   43    H    LEU   7           H        LEU   7 -13.955  -1.301   8.902
   44    HA   LEU   7           HA       LEU   7 -14.997  -1.023   6.803
   45   1HB   LEU   7          2HB       LEU   7 -15.854   1.206   8.228
   46   2HB   LEU   7          1HB       LEU   7 -15.117   1.899   6.782
   47    HG   LEU   7           HG       LEU   7 -16.741  -0.453   6.174
   48   1HD1  LEU   7          2HD1      LEU   7 -17.795   1.499   8.054
   49   2HD1  LEU   7          1HD1      LEU   7 -18.735   1.477   6.562
   50   3HD1  LEU   7          3HD1      LEU   7 -18.519  -0.007   7.488
   51   1HD2  LEU   7          3HD2      LEU   7 -16.069   2.188   5.125
   52   2HD2  LEU   7          2HD2      LEU   7 -16.556   0.733   4.256
   53   3HD2  LEU   7          1HD2      LEU   7 -17.781   1.814   4.920
   54    H    LEU   8           H        LEU   8 -12.682   1.666   7.526
   55    HA   LEU   8           HA       LEU   8 -11.764   2.002   4.925
   56   1HB   LEU   8          2HB       LEU   8 -11.107   3.636   6.435
   57   2HB   LEU   8          1HB       LEU   8 -10.617   2.443   7.626
   58    HG   LEU   8           HG       LEU   8  -8.677   1.852   6.384
   59   1HD1  LEU   8          3HD1      LEU   8 -10.266   2.792   4.212
   60   2HD1  LEU   8          2HD1      LEU   8  -8.750   3.695   4.203
   61   3HD1  LEU   8          1HD1      LEU   8  -8.728   1.933   4.137
   62   1HD2  LEU   8          1HD2      LEU   8  -8.996   4.289   7.526
   63   2HD2  LEU   8          3HD2      LEU   8  -7.472   3.759   6.814
   64   3HD2  LEU   8          2HD2      LEU   8  -8.575   4.776   5.884
   65    H    HIS   9           H        HIS   9 -11.023  -0.438   7.322
   66    HA   HIS   9           HA       HIS   9  -8.677  -1.490   6.131
   67   1HB   HIS   9          2HB       HIS   9 -10.807  -2.712   7.862
   68   2HB   HIS   9          1HB       HIS   9  -9.346  -3.603   7.406
   69    HD1  HIS   9          1HD       HIS   9  -8.040  -3.477   9.649
   70    HD2  HIS   9          2HD       HIS   9  -9.580   0.122   8.314
   71    HE1  HIS   9          1HE       HIS   9  -7.084  -1.702  11.197
   72    H    ASP  10           H        ASP  10 -11.981  -2.699   6.048
   73    HA   ASP  10           HA       ASP  10 -12.913  -4.263   4.497
   74   1HB   ASP  10          2HB       ASP  10 -13.844  -2.227   3.976
   75   2HB   ASP  10          1HB       ASP  10 -12.301  -1.526   3.495
   76    H    LYS  11           H        LYS  11 -11.304  -5.946   4.171
   77    HA   LYS  11           HA       LYS  11  -8.974  -5.899   2.700
   78   1HB   LYS  11          2HB       LYS  11 -10.796  -7.899   3.555
   79   2HB   LYS  11          1HB       LYS  11 -10.465  -8.207   1.848
   80   1HG   LYS  11          2HG       LYS  11  -8.413  -7.878   4.058
   81   2HG   LYS  11          1HG       LYS  11  -8.795  -9.365   3.190
   82   1HD   LYS  11          2HD       LYS  11  -8.219  -7.850   1.073
   83   2HD   LYS  11          1HD       LYS  11  -7.262  -6.972   2.266
   84   1HE   LYS  11          2HE       LYS  11  -5.663  -8.526   1.847
   85   2HE   LYS  11          1HE       LYS  11  -6.647  -9.590   2.852
   86   1HZ   LYS  11          1HZ       LYS  11  -7.906  -9.997   0.644
   87   2HZ   LYS  11          3HZ       LYS  11  -6.476  -9.440  -0.078
   88   3HZ   LYS  11          2HZ       LYS  11  -6.438 -10.804   0.933
   89    H    GLY  12           H        GLY  12  -8.883  -4.562   0.894
   90   1HA   GLY  12          2HA       GLY  12  -9.362  -5.322  -1.651
   91   2HA   GLY  12          1HA       GLY  12 -10.970  -4.767  -1.181
   92    H    LYS  13           H        LYS  13 -10.016  -2.648   0.565
   93    HA   LYS  13           HA       LYS  13  -9.846  -0.506  -1.243
   94   1HB   LYS  13          2HB       LYS  13  -8.897  -0.610   1.587
   95   2HB   LYS  13          1HB       LYS  13  -9.201   0.868   0.682
   96   1HG   LYS  13          2HG       LYS  13 -11.313  -1.255   1.125
   97   2HG   LYS  13          1HG       LYS  13 -11.098   0.125   2.208
   98   1HD   LYS  13          2HD       LYS  13 -11.186   1.502  -0.053
   99   2HD   LYS  13          1HD       LYS  13 -12.049   0.076  -0.633
  100   1HE   LYS  13          2HE       LYS  13 -13.668   0.276   1.192
  101   2HE   LYS  13          1HE       LYS  13 -12.785   1.653   1.851
  102   1HZ   LYS  13          1HZ       LYS  13 -13.148   2.467  -0.646
  103   2HZ   LYS  13          3HZ       LYS  13 -14.533   1.505  -0.466
  104   3HZ   LYS  13          2HZ       LYS  13 -14.251   2.793   0.604
  105    H    SER  14           H        SER  14  -7.721   1.077  -0.394
  106    HA   SER  14           HA       SER  14  -5.743   0.071  -2.158
  107   1HB   SER  14          2HB       SER  14  -5.126   2.228  -0.183
  108   2HB   SER  14          1HB       SER  14  -4.579   2.044  -1.855
  109    HG   SER  14           HG       SER  14  -6.217   3.255  -2.351
  110    H    ILE  15           H        ILE  15  -5.875  -1.959  -0.753
  111    HA   ILE  15           HA       ILE  15  -3.566  -2.007   1.114
  112    HB   ILE  15           HB       ILE  15  -5.214  -4.391   1.066
  113   1HG1  ILE  15          2HG1      ILE  15  -7.018  -2.816   0.495
  114   2HG1  ILE  15          1HG1      ILE  15  -7.214  -3.384   2.144
  115   1HG2  ILE  15          1HG2      ILE  15  -3.724  -2.785   2.900
  116   2HG2  ILE  15          3HG2      ILE  15  -5.338  -3.037   3.563
  117   3HG2  ILE  15          2HG2      ILE  15  -4.335  -4.423   3.133
  118   1HD1  ILE  15          1HD1      ILE  15  -5.489  -1.063   2.062
  119   2HD1  ILE  15          3HD1      ILE  15  -7.047  -0.716   1.314
  120   3HD1  ILE  15          2HD1      ILE  15  -6.979  -1.304   2.977
  121    H    GLN  16           H        GLN  16  -5.442  -3.575  -1.377
  122    HA   GLN  16           HA       GLN  16  -3.403  -5.369  -2.344
  123   1HB   GLN  16          2HB       GLN  16  -5.604  -3.999  -3.924
  124   2HB   GLN  16          1HB       GLN  16  -4.847  -5.558  -4.279
  125   1HG   GLN  16          2HG       GLN  16  -5.786  -5.926  -1.709
  126   2HG   GLN  16          1HG       GLN  16  -7.041  -4.918  -2.429
  127   1HE2  GLN  16          2HE2      GLN  16  -7.926  -8.424  -3.254
  128   2HE2  GLN  16          1HE2      GLN  16  -7.820  -7.486  -1.844
  129    H    ASP  17           H        ASP  17  -4.374  -2.028  -2.674
  130    HA   ASP  17           HA       ASP  17  -2.394  -1.486  -4.787
  131   1HB   ASP  17          2HB       ASP  17  -4.795  -0.235  -3.847
  132   2HB   ASP  17          1HB       ASP  17  -3.472   0.924  -3.703
  133    H    LEU  18           H        LEU  18  -2.879  -0.724  -1.306
  134    HA   LEU  18           HA       LEU  18  -0.636   0.971  -0.963
  135   1HB   LEU  18          2HB       LEU  18  -2.033   0.556   0.957
  136   2HB   LEU  18          1HB       LEU  18  -1.781  -1.186   0.843
  137    HG   LEU  18           HG       LEU  18   0.745  -0.588   1.161
  138   1HD1  LEU  18          2HD1      LEU  18  -0.691   1.932   1.984
  139   2HD1  LEU  18          1HD1      LEU  18   0.845   1.479   2.724
  140   3HD1  LEU  18          3HD1      LEU  18   0.754   1.764   0.986
  141   1HD2  LEU  18          3HD2      LEU  18  -1.477  -0.865   3.079
  142   2HD2  LEU  18          2HD2      LEU  18   0.053  -1.738   2.997
  143   3HD2  LEU  18          1HD2      LEU  18  -0.017  -0.152   3.765
  144    H    ARG  19           H        ARG  19  -0.968  -2.387  -1.646
  145    HA   ARG  19           HA       ARG  19   1.700  -3.279  -1.098
  146   1HB   ARG  19          2HB       ARG  19   0.192  -5.027  -1.359
  147   2HB   ARG  19          1HB       ARG  19  -0.739  -4.168  -2.571
  148   1HG   ARG  19          2HG       ARG  19   1.195  -4.523  -4.169
  149   2HG   ARG  19          1HG       ARG  19   1.877  -5.626  -2.972
  150   1HD   ARG  19          2HD       ARG  19  -0.147  -6.143  -4.918
  151   2HD   ARG  19          1HD       ARG  19   0.545  -7.262  -3.750
  152    HE   ARG  19           HE       ARG  19  -2.019  -5.847  -3.493
  153   1HH1  ARG  19          1HH1      ARG  19   0.594  -6.823  -1.548
  154   2HH1  ARG  19          2HH1      ARG  19  -0.385  -7.656  -0.387
  155   1HH2  ARG  19          1HH2      ARG  19  -3.320  -7.282  -2.189
  156   2HH2  ARG  19          2HH2      ARG  19  -2.595  -7.924  -0.753
  157    H    ARG  20           H        ARG  20   0.018  -2.029  -3.977
  158    HA   ARG  20           HA       ARG  20   2.414  -2.144  -5.592
  159   1HB   ARG  20          2HB       ARG  20   1.109  -1.398  -7.333
  160   2HB   ARG  20          1HB       ARG  20  -0.132  -2.066  -6.275
  161   1HG   ARG  20          2HG       ARG  20  -1.116  -0.027  -6.470
  162   2HG   ARG  20          1HG       ARG  20   0.119   0.519  -5.333
  163   1HD   ARG  20          2HD       ARG  20   0.908   1.889  -6.936
  164   2HD   ARG  20          1HD       ARG  20   1.374   0.455  -7.856
  165    HE   ARG  20           HE       ARG  20  -1.294   0.733  -8.469
  166   1HH1  ARG  20          1HH1      ARG  20  -0.399   1.188 -10.873
  167   2HH1  ARG  20          2HH1      ARG  20  -0.170   2.887 -11.116
  168   1HH2  ARG  20          1HH2      ARG  20  -0.210   3.647  -7.734
  169   2HH2  ARG  20          2HH2      ARG  20  -0.060   4.278  -9.340
  170    H    ARG  21           H        ARG  21   1.518  -0.227  -3.031
  171    HA   ARG  21           HA       ARG  21   2.812   2.247  -3.971
  172   1HB   ARG  21          2HB       ARG  21   1.077   1.615  -1.842
  173   2HB   ARG  21          1HB       ARG  21   2.638   1.909  -1.067
  174   1HG   ARG  21          2HG       ARG  21   2.012   4.097  -1.186
  175   2HG   ARG  21          1HG       ARG  21   2.557   3.966  -2.859
  176   1HD   ARG  21          2HD       ARG  21   0.413   4.798  -3.178
  177   2HD   ARG  21          1HD       ARG  21   0.100   3.064  -3.252
  178    HE   ARG  21           HE       ARG  21  -0.568   3.245  -0.815
  179   1HH1  ARG  21          1HH1      ARG  21  -2.947   4.185  -1.481
  180   2HH1  ARG  21          2HH1      ARG  21  -3.003   5.886  -1.163
  181   1HH2  ARG  21          1HH2      ARG  21   0.444   6.238  -0.997
  182   2HH2  ARG  21          2HH2      ARG  21  -1.084   7.050  -0.892
  183    H    PHE  22           H        PHE  22   3.380  -0.659  -2.150
  184    HA   PHE  22           HA       PHE  22   6.179  -0.011  -1.601
  185   1HB   PHE  22          2HB       PHE  22   4.618  -2.524  -1.160
  186   2HB   PHE  22          1HB       PHE  22   6.244  -2.218  -0.549
  187    HD1  PHE  22          1HD       PHE  22   6.266   0.434   0.346
  188    HD2  PHE  22          2HD       PHE  22   3.049  -2.396   0.510
  189    HE1  PHE  22          1HE       PHE  22   5.256   1.695   2.214
  190    HE2  PHE  22          2HE       PHE  22   2.041  -1.139   2.385
  191    HZ   PHE  22           HZ       PHE  22   3.155   0.898   3.201
  192    H    PHE  23           H        PHE  23   4.169  -1.628  -3.889
  193    HA   PHE  23           HA       PHE  23   5.295  -3.565  -5.268
  194   1HB   PHE  23          2HB       PHE  23   3.934  -1.237  -6.110
  195   2HB   PHE  23          1HB       PHE  23   5.264  -1.472  -7.228
  196    HD1  PHE  23          1HD       PHE  23   4.044  -2.108  -9.109
  197    HD2  PHE  23          2HD       PHE  23   3.524  -4.159  -5.376
  198    HE1  PHE  23          1HE       PHE  23   2.729  -3.855 -10.258
  199    HE2  PHE  23          2HE       PHE  23   2.207  -5.913  -6.530
  200    HZ   PHE  23           HZ       PHE  23   1.824  -5.727  -8.955
  201    H    LEU  24           H        LEU  24   6.565  -0.387  -6.241
  202    HA   LEU  24           HA       LEU  24   9.068  -1.519  -7.138
  203   1HB   LEU  24          2HB       LEU  24   8.561   1.392  -6.486
  204   2HB   LEU  24          1HB       LEU  24   9.708   0.728  -7.649
  205    HG   LEU  24           HG       LEU  24   6.858  -0.015  -8.044
  206   1HD1  LEU  24          3HD1      LEU  24   7.581   2.703  -7.642
  207   2HD1  LEU  24          2HD1      LEU  24   7.344   2.486  -9.375
  208   3HD1  LEU  24          1HD1      LEU  24   6.049   2.075  -8.251
  209   1HD2  LEU  24          1HD2      LEU  24   9.306  -0.043  -9.484
  210   2HD2  LEU  24          3HD2      LEU  24   7.721  -0.573 -10.049
  211   3HD2  LEU  24          2HD2      LEU  24   8.241   1.091 -10.316
  212    H    HIS  25           H        HIS  25   7.999   0.184  -4.208
  213    HA   HIS  25           HA       HIS  25  10.519   0.574  -2.992
  214   1HB   HIS  25          2HB       HIS  25   7.940   1.003  -2.213
  215   2HB   HIS  25          1HB       HIS  25   8.368  -0.372  -1.189
  216    HD1  HIS  25          1HD       HIS  25   7.982   2.516  -0.024
  217    HD2  HIS  25          2HD       HIS  25  11.660   0.868  -1.089
  218    HE1  HIS  25          1HE       HIS  25   9.741   3.787   1.281
  219    H    HIS  26           H        HIS  26   8.405  -2.305  -2.932
  220    HA   HIS  26           HA       HIS  26   9.940  -3.935  -1.234
  221   1HB   HIS  26          2HB       HIS  26   7.656  -4.325  -2.525
  222   2HB   HIS  26          1HB       HIS  26   8.745  -5.159  -3.635
  223    HD1  HIS  26          1HD       HIS  26   9.067  -4.949   0.117
  224    HD2  HIS  26          2HD       HIS  26   8.413  -7.810  -2.841
  225    HE1  HIS  26          1HE       HIS  26   9.201  -7.189   1.257
  226    H    LEU  27           H        LEU  27   9.961  -4.158  -4.792
  227    HA   LEU  27           HA       LEU  27  12.196  -5.740  -5.146
  228   1HB   LEU  27          2HB       LEU  27  11.447  -3.283  -6.759
  229   2HB   LEU  27          1HB       LEU  27  12.538  -4.558  -7.303
  230    HG   LEU  27           HG       LEU  27   9.627  -4.933  -6.539
  231   1HD1  LEU  27          3HD1      LEU  27  11.084  -4.593  -9.140
  232   2HD1  LEU  27          2HD1      LEU  27   9.669  -5.645  -9.083
  233   3HD1  LEU  27          1HD1      LEU  27   9.521  -3.943  -8.643
  234   1HD2  LEU  27          3HD2      LEU  27  11.868  -6.766  -6.829
  235   2HD2  LEU  27          2HD2      LEU  27  10.231  -7.091  -6.258
  236   3HD2  LEU  27          1HD2      LEU  27  10.588  -7.136  -7.985
  237    H    ILE  28           H        ILE  28  12.274  -2.161  -4.925
  238    HA   ILE  28           HA       ILE  28  15.044  -1.786  -5.000
  239    HB   ILE  28           HB       ILE  28  12.965  -0.340  -3.331
  240   1HG1  ILE  28          2HG1      ILE  28  14.335   0.640  -5.831
  241   2HG1  ILE  28          1HG1      ILE  28  12.921  -0.409  -5.938
  242   1HG2  ILE  28          2HG2      ILE  28  15.791  -0.197  -3.150
  243   2HG2  ILE  28          1HG2      ILE  28  15.269   1.246  -4.019
  244   3HG2  ILE  28          3HG2      ILE  28  14.614   0.894  -2.421
  245   1HD1  ILE  28          3HD1      ILE  28  12.940   2.113  -4.272
  246   2HD1  ILE  28          2HD1      ILE  28  12.450   2.104  -5.966
  247   3HD1  ILE  28          1HD1      ILE  28  11.545   1.161  -4.781
  248    H    ALA  29           H        ALA  29  13.085  -3.146  -2.447
  249    HA   ALA  29           HA       ALA  29  15.096  -4.515  -1.139
  250   1HB   ALA  29          1HB       ALA  29  15.359  -1.687  -0.682
  251   2HB   ALA  29          3HB       ALA  29  14.954  -2.485   0.838
  252   3HB   ALA  29          2HB       ALA  29  16.372  -2.998  -0.076
  253    H    GLU  30           H        GLU  30  13.956  -5.922   0.086
  254    HA   GLU  30           HA       GLU  30  11.205  -5.258   0.872
  255   1HB   GLU  30          2HB       GLU  30  11.330  -7.651   1.831
  256   2HB   GLU  30          1HB       GLU  30  11.455  -7.477   0.078
  257   1HG   GLU  30          2HG       GLU  30  13.739  -7.931   0.057
  258   2HG   GLU  30          1HG       GLU  30  13.959  -7.415   1.733
  259    H    ILE  31           H        ILE  31  10.575  -6.022   3.209
  260    HA   ILE  31           HA       ILE  31  12.187  -4.413   5.041
  261    HB   ILE  31           HB       ILE  31  10.119  -6.168   6.197
  262   1HG1  ILE  31          2HG1      ILE  31   8.461  -4.284   5.178
  263   2HG1  ILE  31          1HG1      ILE  31   9.590  -4.445   3.832
  264   1HG2  ILE  31          2HG2      ILE  31  11.048  -3.330   6.353
  265   2HG2  ILE  31          1HG2      ILE  31   9.414  -3.706   6.898
  266   3HG2  ILE  31          3HG2      ILE  31  10.800  -4.499   7.649
  267   1HD1  ILE  31          3HD1      ILE  31   9.086  -7.075   4.654
  268   2HD1  ILE  31          2HD1      ILE  31   7.514  -6.278   4.712
  269   3HD1  ILE  31          1HD1      ILE  31   8.445  -6.285   3.214
  270    H    HIS  32           H        HIS  32  14.091  -5.332   5.609
  271    HA   HIS  32           HA       HIS  32  14.868  -7.974   5.691
  272   1HB   HIS  32          2HB       HIS  32  16.302  -7.227   7.747
  273   2HB   HIS  32          1HB       HIS  32  16.572  -6.442   6.187
  274    HD1  HIS  32          1HD       HIS  32  17.425  -4.340   7.615
  275    HD2  HIS  32          2HD       HIS  32  13.373  -5.238   8.011
  276    HE1  HIS  32          1HE       HIS  32  16.337  -2.301   8.655
  277    H    THR  33           H        THR  33  14.847  -9.637   7.314
  278    HA   THR  33           HA       THR  33  12.677  -9.287   9.344
  279    HB   THR  33           HB       THR  33  13.632 -11.941   8.263
  280    HG1  THR  33          1HG       THR  33  12.695 -11.451   6.470
  281   1HG2  THR  33          2HG2      THR  33  11.354 -10.916   9.903
  282   2HG2  THR  33          1HG2      THR  33  11.060 -12.294   8.844
  283   3HG2  THR  33          3HG2      THR  33  12.300 -12.393  10.095
  284    H    ALA  34           H        ALA  34  14.262  -8.455  10.878
  285    HA   ALA  34           HA       ALA  34  15.760 -10.653  12.197
  286   1HB   ALA  34          3HB       ALA  34  17.009  -8.625  10.639
  287   2HB   ALA  34          2HB       ALA  34  17.354  -8.268  12.332
  288   3HB   ALA  34          1HB       ALA  34  17.786  -9.838  11.656
   
  No H/Q in entry =         288
  Start of MODEL   13
    1   1H    ALA   1          1HT       ALA   1   0.898  16.527  13.445
    2   2H    ALA   1          3HT       ALA   1   0.638  18.199  13.563
    3   3H    ALA   1          2HT       ALA   1   0.769  17.259  14.972
    4    HA   ALA   1           HA       ALA   1  -1.441  17.184  14.972
    5   1HB   ALA   1          2HB       ALA   1  -1.097  18.168  12.146
    6   2HB   ALA   1          1HB       ALA   1  -2.683  17.668  12.733
    7   3HB   ALA   1          3HB       ALA   1  -1.829  18.993  13.521
    8    H    VAL   2           H        VAL   2  -1.389  14.938  15.364
    9    HA   VAL   2           HA       VAL   2  -1.530  12.645  14.856
   10    HB   VAL   2           HB       VAL   2  -3.801  13.857  14.410
   11   1HG1  VAL   2          3HG1      VAL   2  -2.913  13.099  11.613
   12   2HG1  VAL   2          2HG1      VAL   2  -4.599  13.373  12.050
   13   3HG1  VAL   2          1HG1      VAL   2  -3.430  14.685  12.189
   14   1HG2  VAL   2          2HG2      VAL   2  -2.947  11.177  14.383
   15   2HG2  VAL   2          1HG2      VAL   2  -4.591  11.764  14.637
   16   3HG2  VAL   2          3HG2      VAL   2  -4.050  11.331  13.015
   17    H    SER   3           H        SER   3  -1.991  11.243  12.521
   18    HA   SER   3           HA       SER   3   0.585  11.568  11.174
   19   1HB   SER   3          2HB       SER   3  -0.476   9.330  11.725
   20   2HB   SER   3          1HB       SER   3  -1.660   9.660  10.459
   21    HG   SER   3           HG       SER   3   0.371   8.446   9.918
   22    H    GLU   4           H        GLU   4   0.774  13.082   9.600
   23    HA   GLU   4           HA       GLU   4  -1.488  14.196   8.196
   24   1HB   GLU   4          2HB       GLU   4   0.522  15.520   8.486
   25   2HB   GLU   4          1HB       GLU   4   1.486  14.322   7.631
   26   1HG   GLU   4          2HG       GLU   4   0.252  14.732   5.573
   27   2HG   GLU   4          1HG       GLU   4  -0.831  15.846   6.409
   28    H    HIS   5           H        HIS   5   0.922  11.722   7.406
   29    HA   HIS   5           HA       HIS   5   0.564  11.367   4.716
   30   1HB   HIS   5          2HB       HIS   5   1.343   9.691   6.899
   31   2HB   HIS   5          1HB       HIS   5   0.397   8.762   5.736
   32    HD1  HIS   5          1HD       HIS   5   1.207   9.287   3.104
   33    HD2  HIS   5          2HD       HIS   5   3.972   9.895   6.160
   34    HE1  HIS   5          1HE       HIS   5   3.489   9.320   2.006
   35    H    GLN   6           H        GLN   6  -1.846  10.782   7.178
   36    HA   GLN   6           HA       GLN   6  -3.616   9.111   5.810
   37   1HB   GLN   6          2HB       GLN   6  -3.786  11.028   7.950
   38   2HB   GLN   6          1HB       GLN   6  -5.220  11.121   6.927
   39   1HG   GLN   6          2HG       GLN   6  -4.396   8.369   7.453
   40   2HG   GLN   6          1HG       GLN   6  -4.776   9.250   8.933
   41   1HE2  GLN   6          2HE2      GLN   6  -7.965   7.830   7.544
   42   2HE2  GLN   6          1HE2      GLN   6  -6.482   7.154   8.047
   43    H    LEU   7           H        LEU   7  -5.774  10.088   4.730
   44    HA   LEU   7           HA       LEU   7  -6.660  11.319   2.923
   45   1HB   LEU   7          2HB       LEU   7  -4.825  13.178   4.242
   46   2HB   LEU   7          1HB       LEU   7  -4.867  13.434   2.497
   47    HG   LEU   7           HG       LEU   7  -7.479  13.026   3.877
   48   1HD1  LEU   7          3HD1      LEU   7  -5.709  15.450   4.197
   49   2HD1  LEU   7          2HD1      LEU   7  -7.466  15.580   4.275
   50   3HD1  LEU   7          1HD1      LEU   7  -6.604  14.574   5.439
   51   1HD2  LEU   7          1HD2      LEU   7  -6.359  14.451   1.494
   52   2HD2  LEU   7          3HD2      LEU   7  -7.787  13.423   1.615
   53   3HD2  LEU   7          2HD2      LEU   7  -7.840  15.081   2.217
   54    H    LEU   8           H        LEU   8  -3.078  11.773   2.702
   55    HA   LEU   8           HA       LEU   8  -3.031  11.034  -0.033
   56   1HB   LEU   8          2HB       LEU   8  -1.218  12.338   0.748
   57   2HB   LEU   8          1HB       LEU   8  -0.992  11.280   2.135
   58    HG   LEU   8           HG       LEU   8  -0.221   9.488   0.740
   59   1HD1  LEU   8          2HD1      LEU   8  -1.663  10.971  -1.232
   60   2HD1  LEU   8          1HD1      LEU   8  -0.008  10.744  -1.804
   61   3HD1  LEU   8          3HD1      LEU   8  -0.992   9.345  -1.367
   62   1HD2  LEU   8          2HD2      LEU   8   1.004  12.172   0.572
   63   2HD2  LEU   8          1HD2      LEU   8   1.724  10.642   1.074
   64   3HD2  LEU   8          3HD2      LEU   8   1.573  11.025  -0.640
   65    H    HIS   9           H        HIS   9  -2.809   9.478   3.053
   66    HA   HIS   9           HA       HIS   9  -2.283   6.853   1.906
   67   1HB   HIS   9          2HB       HIS   9  -1.041   7.369   3.860
   68   2HB   HIS   9          1HB       HIS   9  -2.473   7.891   4.744
   69    HD1  HIS   9          1HD       HIS   9  -2.611   6.051   6.541
   70    HD2  HIS   9          2HD       HIS   9  -2.087   4.645   2.691
   71    HE1  HIS   9          1HE       HIS   9  -2.857   3.526   6.687
   72    H    ASP  10           H        ASP  10  -4.782   8.086   1.233
   73    HA   ASP  10           HA       ASP  10  -7.088   7.675   2.579
   74   1HB   ASP  10          2HB       ASP  10  -7.055   8.231   0.201
   75   2HB   ASP  10          1HB       ASP  10  -6.492   6.599  -0.187
   76    H    LYS  11           H        LYS  11  -6.924   6.077   4.240
   77    HA   LYS  11           HA       LYS  11  -6.172   3.372   3.817
   78   1HB   LYS  11          2HB       LYS  11  -7.368   4.969   5.953
   79   2HB   LYS  11          1HB       LYS  11  -7.989   3.316   5.917
   80   1HG   LYS  11          2HG       LYS  11  -5.032   3.941   5.783
   81   2HG   LYS  11          1HG       LYS  11  -5.878   3.685   7.311
   82   1HD   LYS  11          2HD       LYS  11  -6.759   1.514   6.035
   83   2HD   LYS  11          1HD       LYS  11  -5.254   1.732   5.140
   84   1HE   LYS  11          2HE       LYS  11  -4.095   0.852   6.854
   85   2HE   LYS  11          1HE       LYS  11  -4.703   2.118   7.921
   86   1HZ   LYS  11          2HZ       LYS  11  -6.600   0.025   7.299
   87   2HZ   LYS  11          1HZ       LYS  11  -5.254  -0.485   8.203
   88   3HZ   LYS  11          3HZ       LYS  11  -6.243   0.763   8.787
   89    H    GLY  12           H        GLY  12  -7.250   1.919   2.513
   90   1HA   GLY  12          2HA       GLY  12  -9.562   0.718   2.606
   91   2HA   GLY  12          1HA       GLY  12 -10.194   2.309   2.174
   92    H    LYS  13           H        LYS  13  -7.746   2.805   0.480
   93    HA   LYS  13           HA       LYS  13  -8.744   1.808  -2.010
   94   1HB   LYS  13          2HB       LYS  13  -6.084   2.972  -1.329
   95   2HB   LYS  13          1HB       LYS  13  -6.674   2.721  -2.964
   96   1HG   LYS  13          2HG       LYS  13  -8.208   4.376  -0.957
   97   2HG   LYS  13          1HG       LYS  13  -6.949   5.085  -1.974
   98   1HD   LYS  13          2HD       LYS  13  -8.416   5.239  -3.670
   99   2HD   LYS  13          1HD       LYS  13  -8.607   3.486  -3.652
  100   1HE   LYS  13          2HE       LYS  13 -10.761   3.932  -3.090
  101   2HE   LYS  13          1HE       LYS  13 -10.111   4.231  -1.478
  102   1HZ   LYS  13          1HZ       LYS  13  -9.873   6.468  -3.276
  103   2HZ   LYS  13          3HZ       LYS  13 -11.478   6.026  -2.952
  104   3HZ   LYS  13          2HZ       LYS  13 -10.431   6.416  -1.672
  105    H    SER  14           H        SER  14  -8.948  -0.354  -1.141
  106    HA   SER  14           HA       SER  14  -8.012  -2.508  -0.736
  107   1HB   SER  14          2HB       SER  14  -8.515  -1.924  -3.324
  108   2HB   SER  14          1HB       SER  14  -6.787  -2.266  -3.423
  109    HG   SER  14           HG       SER  14  -7.942  -4.176  -3.675
  110    H    ILE  15           H        ILE  15  -6.462  -2.517   0.761
  111    HA   ILE  15           HA       ILE  15  -3.981  -1.389   0.873
  112    HB   ILE  15           HB       ILE  15  -5.223  -3.793   1.822
  113   1HG1  ILE  15          2HG1      ILE  15  -4.344  -1.457   2.790
  114   2HG1  ILE  15          1HG1      ILE  15  -4.575  -2.870   3.807
  115   1HG2  ILE  15          3HG2      ILE  15  -2.305  -3.934   1.090
  116   2HG2  ILE  15          2HG2      ILE  15  -2.902  -4.795   2.509
  117   3HG2  ILE  15          1HG2      ILE  15  -3.548  -5.173   0.911
  118   1HD1  ILE  15          1HD1      ILE  15  -1.956  -2.470   2.381
  119   2HD1  ILE  15          3HD1      ILE  15  -2.277  -1.560   3.862
  120   3HD1  ILE  15          2HD1      ILE  15  -2.268  -3.325   3.896
  121    H    GLN  16           H        GLN  16  -5.105  -3.918  -1.157
  122    HA   GLN  16           HA       GLN  16  -3.058  -5.014  -2.558
  123   1HB   GLN  16          2HB       GLN  16  -4.976  -5.502  -3.716
  124   2HB   GLN  16          1HB       GLN  16  -5.789  -4.096  -3.015
  125   1HG   GLN  16          2HG       GLN  16  -5.848  -3.745  -5.343
  126   2HG   GLN  16          1HG       GLN  16  -4.573  -2.690  -4.753
  127   1HE2  GLN  16          2HE2      GLN  16  -2.165  -5.424  -6.002
  128   2HE2  GLN  16          1HE2      GLN  16  -2.614  -5.004  -4.423
  129    H    ASP  17           H        ASP  17  -4.210  -1.640  -2.710
  130    HA   ASP  17           HA       ASP  17  -2.057  -0.957  -4.622
  131   1HB   ASP  17          2HB       ASP  17  -4.357   0.561  -3.398
  132   2HB   ASP  17          1HB       ASP  17  -3.047   1.431  -4.198
  133    H    LEU  18           H        LEU  18  -2.905  -0.179  -1.220
  134    HA   LEU  18           HA       LEU  18  -0.735   1.517  -0.618
  135   1HB   LEU  18          2HB       LEU  18  -2.500  -0.238   0.883
  136   2HB   LEU  18          1HB       LEU  18  -0.857  -0.347   1.513
  137    HG   LEU  18           HG       LEU  18  -2.125   1.454   2.632
  138   1HD1  LEU  18          2HD1      LEU  18   0.304   1.932   0.998
  139   2HD1  LEU  18          1HD1      LEU  18  -0.494   3.374   1.626
  140   3HD1  LEU  18          3HD1      LEU  18   0.059   2.118   2.735
  141   1HD2  LEU  18          2HD2      LEU  18  -3.382   1.860   0.311
  142   2HD2  LEU  18          1HD2      LEU  18  -3.202   3.154   1.496
  143   3HD2  LEU  18          3HD2      LEU  18  -2.111   3.067   0.114
  144    H    ARG  19           H        ARG  19  -0.920  -1.826  -1.405
  145    HA   ARG  19           HA       ARG  19   1.745  -2.645  -0.670
  146   1HB   ARG  19          2HB       ARG  19   0.269  -4.432  -0.902
  147   2HB   ARG  19          1HB       ARG  19  -0.590  -3.675  -2.231
  148   1HG   ARG  19          2HG       ARG  19   1.387  -4.097  -3.698
  149   2HG   ARG  19          1HG       ARG  19   2.132  -4.997  -2.372
  150   1HD   ARG  19          2HD       ARG  19  -0.149  -5.734  -4.127
  151   2HD   ARG  19          1HD       ARG  19   1.081  -6.764  -3.395
  152    HE   ARG  19           HE       ARG  19  -1.276  -5.691  -1.892
  153   1HH1  ARG  19          1HH1      ARG  19   0.014  -8.482  -3.175
  154   2HH1  ARG  19          2HH1      ARG  19  -0.041  -9.405  -1.710
  155   1HH2  ARG  19          1HH2      ARG  19  -0.857  -6.689   0.285
  156   2HH2  ARG  19          2HH2      ARG  19  -0.532  -8.390   0.248
  157    H    ARG  20           H        ARG  20   0.193  -1.816  -3.804
  158    HA   ARG  20           HA       ARG  20   2.587  -2.025  -5.298
  159   1HB   ARG  20          2HB       ARG  20   1.451  -1.025  -7.084
  160   2HB   ARG  20          1HB       ARG  20   0.171  -1.792  -6.142
  161   1HG   ARG  20          2HG       ARG  20  -0.390   0.332  -5.097
  162   2HG   ARG  20          1HG       ARG  20   0.971   1.123  -5.895
  163   1HD   ARG  20          2HD       ARG  20  -0.959  -0.335  -7.634
  164   2HD   ARG  20          1HD       ARG  20  -1.514   1.180  -6.919
  165    HE   ARG  20           HE       ARG  20   1.104   1.489  -8.110
  166   1HH1  ARG  20          1HH1      ARG  20  -0.984   3.571  -8.320
  167   2HH1  ARG  20          2HH1      ARG  20  -1.482   3.452  -9.975
  168   1HH2  ARG  20          1HH2      ARG  20  -0.089   0.312 -10.445
  169   2HH2  ARG  20          2HH2      ARG  20  -0.975   1.606 -11.178
  170    H    ARG  21           H        ARG  21   1.340   0.631  -3.327
  171    HA   ARG  21           HA       ARG  21   3.157   2.636  -4.245
  172   1HB   ARG  21          2HB       ARG  21   1.470   2.212  -1.905
  173   2HB   ARG  21          1HB       ARG  21   3.034   2.889  -1.435
  174   1HG   ARG  21          2HG       ARG  21   2.681   4.857  -2.574
  175   2HG   ARG  21          1HG       ARG  21   1.690   4.086  -3.814
  176   1HD   ARG  21          2HD       ARG  21   0.507   5.643  -2.103
  177   2HD   ARG  21          1HD       ARG  21  -0.229   4.076  -2.445
  178    HE   ARG  21           HE       ARG  21   0.075   3.621  -0.163
  179   1HH1  ARG  21          1HH1      ARG  21   1.829   3.049   1.321
  180   2HH1  ARG  21          2HH1      ARG  21   2.989   4.292   1.656
  181   1HH2  ARG  21          1HH2      ARG  21   1.886   6.373  -0.892
  182   2HH2  ARG  21          2HH2      ARG  21   3.024   6.174   0.398
  183    H    PHE  22           H        PHE  22   3.463  -0.235  -2.336
  184    HA   PHE  22           HA       PHE  22   6.298   0.305  -1.734
  185   1HB   PHE  22          2HB       PHE  22   4.556  -1.988  -0.935
  186   2HB   PHE  22          1HB       PHE  22   6.178  -1.663  -0.322
  187    HD1  PHE  22          1HD       PHE  22   3.017  -1.551   0.731
  188    HD2  PHE  22          2HD       PHE  22   6.255   1.162  -0.006
  189    HE1  PHE  22          1HE       PHE  22   2.020   0.071   2.306
  190    HE2  PHE  22          2HE       PHE  22   5.265   2.778   1.575
  191    HZ   PHE  22           HZ       PHE  22   3.158   2.218   2.697
  192    H    PHE  23           H        PHE  23   4.203  -1.537  -3.800
  193    HA   PHE  23           HA       PHE  23   5.282  -3.757  -4.764
  194   1HB   PHE  23          2HB       PHE  23   4.131  -1.495  -6.147
  195   2HB   PHE  23          1HB       PHE  23   5.354  -2.264  -7.143
  196    HD1  PHE  23          1HD       PHE  23   3.437  -4.085  -4.589
  197    HD2  PHE  23          2HD       PHE  23   3.832  -3.102  -8.748
  198    HE1  PHE  23          1HE       PHE  23   1.810  -5.862  -5.170
  199    HE2  PHE  23          2HE       PHE  23   2.214  -4.876  -9.326
  200    HZ   PHE  23           HZ       PHE  23   1.218  -6.225  -7.533
  201    H    LEU  24           H        LEU  24   6.655  -0.924  -6.420
  202    HA   LEU  24           HA       LEU  24   9.140  -2.236  -6.990
  203   1HB   LEU  24          2HB       LEU  24   8.683   0.758  -6.802
  204   2HB   LEU  24          1HB       LEU  24   9.919  -0.075  -7.746
  205    HG   LEU  24           HG       LEU  24   7.348  -1.134  -8.458
  206   1HD1  LEU  24          3HD1      LEU  24   7.422   1.745  -7.907
  207   2HD1  LEU  24          2HD1      LEU  24   6.937   1.375  -9.561
  208   3HD1  LEU  24          1HD1      LEU  24   6.037   0.696  -8.204
  209   1HD2  LEU  24          3HD2      LEU  24   9.781  -0.405  -9.641
  210   2HD2  LEU  24          2HD2      LEU  24   8.387  -1.100 -10.466
  211   3HD2  LEU  24          1HD2      LEU  24   8.588   0.651 -10.399
  212    H    HIS  25           H        HIS  25   8.075  -0.058  -4.392
  213    HA   HIS  25           HA       HIS  25  10.467   0.534  -3.102
  214   1HB   HIS  25          2HB       HIS  25   7.980   0.967  -2.383
  215   2HB   HIS  25          1HB       HIS  25   8.162  -0.548  -1.491
  216    HD1  HIS  25          1HD       HIS  25   8.496   2.928  -0.951
  217    HD2  HIS  25          2HD       HIS  25  10.861  -0.353   0.063
  218    HE1  HIS  25          1HE       HIS  25   9.989   3.681   0.952
  219    H    HIS  26           H        HIS  26   8.736  -2.536  -3.171
  220    HA   HIS  26           HA       HIS  26  10.524  -3.895  -1.361
  221   1HB   HIS  26          2HB       HIS  26   8.041  -4.440  -2.156
  222   2HB   HIS  26          1HB       HIS  26   8.939  -5.411  -3.323
  223    HD1  HIS  26          1HD       HIS  26  10.025  -4.734   0.216
  224    HD2  HIS  26          2HD       HIS  26   8.674  -7.925  -2.100
  225    HE1  HIS  26          1HE       HIS  26  10.352  -6.805   1.607
  226    H    LEU  27           H        LEU  27   9.841  -4.573  -4.787
  227    HA   LEU  27           HA       LEU  27  12.126  -6.097  -5.334
  228   1HB   LEU  27          2HB       LEU  27  10.789  -4.143  -7.231
  229   2HB   LEU  27          1HB       LEU  27  11.773  -5.532  -7.688
  230    HG   LEU  27           HG       LEU  27   9.184  -5.689  -6.116
  231   1HD1  LEU  27          3HD1      LEU  27   9.804  -6.297  -9.024
  232   2HD1  LEU  27          2HD1      LEU  27   8.284  -6.681  -8.217
  233   3HD1  LEU  27          1HD1      LEU  27   8.770  -4.999  -8.426
  234   1HD2  LEU  27          1HD2      LEU  27  11.056  -7.776  -7.272
  235   2HD2  LEU  27          3HD2      LEU  27  10.649  -7.536  -5.573
  236   3HD2  LEU  27          2HD2      LEU  27   9.430  -8.138  -6.696
  237    H    ILE  28           H        ILE  28  13.818  -5.162  -7.091
  238    HA   ILE  28           HA       ILE  28  15.672  -3.774  -7.458
  239    HB   ILE  28           HB       ILE  28  14.152  -1.678  -5.889
  240   1HG1  ILE  28          2HG1      ILE  28  12.762  -2.700  -7.709
  241   2HG1  ILE  28          1HG1      ILE  28  13.146  -1.003  -8.003
  242   1HG2  ILE  28          1HG2      ILE  28  16.351  -1.628  -7.969
  243   2HG2  ILE  28          3HG2      ILE  28  15.424  -0.194  -7.526
  244   3HG2  ILE  28          2HG2      ILE  28  16.416  -1.012  -6.319
  245   1HD1  ILE  28          1HD1      ILE  28  15.047  -3.044  -9.063
  246   2HD1  ILE  28          3HD1      ILE  28  13.499  -2.866  -9.891
  247   3HD1  ILE  28          2HD1      ILE  28  14.583  -1.484  -9.740
  248    H    ALA  29           H        ALA  29  14.411  -2.970  -4.195
  249    HA   ALA  29           HA       ALA  29  16.666  -4.239  -2.923
  250   1HB   ALA  29          1HB       ALA  29  17.512  -1.951  -3.799
  251   2HB   ALA  29          3HB       ALA  29  16.506  -1.257  -2.529
  252   3HB   ALA  29          2HB       ALA  29  17.827  -2.348  -2.110
  253    H    GLU  30           H        GLU  30  15.011  -5.287  -1.744
  254    HA   GLU  30           HA       GLU  30  12.915  -3.866  -0.377
  255   1HB   GLU  30          2HB       GLU  30  12.835  -6.069   0.987
  256   2HB   GLU  30          1HB       GLU  30  12.490  -6.161  -0.744
  257   1HG   GLU  30          2HG       GLU  30  14.331  -7.412  -1.150
  258   2HG   GLU  30          1HG       GLU  30  15.350  -6.375  -0.145
  259    H    ILE  31           H        ILE  31  12.768  -3.272   1.810
  260    HA   ILE  31           HA       ILE  31  15.091  -2.227   3.023
  261    HB   ILE  31           HB       ILE  31  13.112  -1.328   3.834
  262   1HG1  ILE  31          2HG1      ILE  31  13.511  -3.340   6.035
  263   2HG1  ILE  31          1HG1      ILE  31  14.781  -2.172   5.661
  264   1HG2  ILE  31          3HG2      ILE  31  12.185  -4.138   3.676
  265   2HG2  ILE  31          2HG2      ILE  31  11.459  -3.163   4.955
  266   3HG2  ILE  31          1HG2      ILE  31  11.330  -2.649   3.272
  267   1HD1  ILE  31          2HD1      ILE  31  12.405  -0.676   5.704
  268   2HD1  ILE  31          1HD1      ILE  31  12.288  -1.765   7.087
  269   3HD1  ILE  31          3HD1      ILE  31  13.671  -0.681   6.932
  270    H    HIS  32           H        HIS  32  16.763  -3.368   3.661
  271    HA   HIS  32           HA       HIS  32  16.663  -6.164   4.306
  272   1HB   HIS  32          2HB       HIS  32  18.667  -5.083   3.327
  273   2HB   HIS  32          1HB       HIS  32  18.876  -4.162   4.821
  274    HD1  HIS  32          1HD       HIS  32  19.184  -7.629   3.404
  275    HD2  HIS  32          2HD       HIS  32  19.855  -5.674   7.025
  276    HE1  HIS  32          1HE       HIS  32  20.493  -9.239   4.856
  277    H    THR  33           H        THR  33  14.814  -5.232   5.997
  278    HA   THR  33           HA       THR  33  14.241  -4.842   8.257
  279    HB   THR  33           HB       THR  33  15.408  -6.463   9.788
  280    HG1  THR  33          1HG       THR  33  17.218  -7.301   9.166
  281   1HG2  THR  33          2HG2      THR  33  13.481  -7.006   8.132
  282   2HG2  THR  33          1HG2      THR  33  14.724  -7.842   7.201
  283   3HG2  THR  33          3HG2      THR  33  14.367  -8.350   8.851
  284    H    ALA  34           H        ALA  34  15.577  -2.651   7.607
  285    HA   ALA  34           HA       ALA  34  18.055  -2.299   9.095
  286   1HB   ALA  34          2HB       ALA  34  17.171  -0.982   7.008
  287   2HB   ALA  34          1HB       ALA  34  16.304  -0.020   8.205
  288   3HB   ALA  34          3HB       ALA  34  18.064  -0.111   8.255
   
  No H/Q in entry =         288
  Start of MODEL   14
    1   1H    ALA   1          3HT       ALA   1  -7.531   8.079  15.312
    2   2H    ALA   1          2HT       ALA   1  -7.345   9.555  16.131
    3   3H    ALA   1          1HT       ALA   1  -8.482   8.415  16.676
    4    HA   ALA   1           HA       ALA   1  -9.912   8.779  14.884
    5   1HB   ALA   1          2HB       ALA   1  -9.235  10.808  16.610
    6   2HB   ALA   1          1HB       ALA   1  -9.039  11.588  15.040
    7   3HB   ALA   1          3HB       ALA   1 -10.587  10.865  15.478
    8    H    VAL   2           H        VAL   2 -10.064  10.741  13.004
    9    HA   VAL   2           HA       VAL   2  -8.661   9.745  10.806
   10    HB   VAL   2           HB       VAL   2 -10.602  11.243  10.590
   11   1HG1  VAL   2          2HG1      VAL   2  -9.267  12.795  12.452
   12   2HG1  VAL   2          1HG1      VAL   2  -9.064  13.717  10.962
   13   3HG1  VAL   2          3HG1      VAL   2 -10.682  13.304  11.531
   14   1HG2  VAL   2          3HG2      VAL   2  -8.916  11.013   8.735
   15   2HG2  VAL   2          2HG2      VAL   2  -9.780  12.551   8.713
   16   3HG2  VAL   2          1HG2      VAL   2  -8.129  12.474   9.332
   17    H    SER   3           H        SER   3  -6.801  10.552   9.643
   18    HA   SER   3           HA       SER   3  -5.030  12.402  11.155
   19   1HB   SER   3          2HB       SER   3  -4.248  10.214  11.824
   20   2HB   SER   3          1HB       SER   3  -4.293   9.636  10.156
   21    HG   SER   3           HG       SER   3  -2.335  10.363  10.009
   22    H    GLU   4           H        GLU   4  -3.565  13.547   9.794
   23    HA   GLU   4           HA       GLU   4  -4.469  14.011   7.111
   24   1HB   GLU   4          2HB       GLU   4  -3.270  15.724   8.415
   25   2HB   GLU   4          1HB       GLU   4  -1.819  14.729   8.399
   26   1HG   GLU   4          2HG       GLU   4  -1.528  14.984   6.063
   27   2HG   GLU   4          1HG       GLU   4  -3.180  15.564   5.839
   28    H    HIS   5           H        HIS   5  -1.415  12.538   8.270
   29    HA   HIS   5           HA       HIS   5  -0.369  11.739   5.839
   30   1HB   HIS   5          2HB       HIS   5   0.162  11.178   8.509
   31   2HB   HIS   5          1HB       HIS   5  -0.088   9.607   7.749
   32    HD1  HIS   5          1HD       HIS   5   1.228   9.518   5.229
   33    HD2  HIS   5          2HD       HIS   5   2.760  11.988   8.215
   34    HE1  HIS   5          1HE       HIS   5   3.639   9.985   4.603
   35    H    GLN   6           H        GLN   6  -3.200  10.501   7.402
   36    HA   GLN   6           HA       GLN   6  -3.256   8.083   5.810
   37   1HB   GLN   6          2HB       GLN   6  -4.736   9.192   8.041
   38   2HB   GLN   6          1HB       GLN   6  -5.755   8.342   6.880
   39   1HG   GLN   6          2HG       GLN   6  -3.591   6.663   7.091
   40   2HG   GLN   6          1HG       GLN   6  -3.731   7.287   8.735
   41   1HE2  GLN   6          2HE2      GLN   6  -6.066   4.576   9.034
   42   2HE2  GLN   6          1HE2      GLN   6  -4.440   5.014   9.303
   43    H    LEU   7           H        LEU   7  -3.361  10.822   4.641
   44    HA   LEU   7           HA       LEU   7  -5.899  10.671   3.166
   45   1HB   LEU   7          2HB       LEU   7  -4.027  12.877   3.849
   46   2HB   LEU   7          1HB       LEU   7  -4.765  12.955   2.249
   47    HG   LEU   7           HG       LEU   7  -6.759  12.222   4.199
   48   1HD1  LEU   7          1HD1      LEU   7  -4.835  14.331   4.975
   49   2HD1  LEU   7          3HD1      LEU   7  -6.533  14.795   5.081
   50   3HD1  LEU   7          2HD1      LEU   7  -5.944  13.395   5.977
   51   1HD2  LEU   7          3HD2      LEU   7  -6.401  13.884   1.898
   52   2HD2  LEU   7          2HD2      LEU   7  -7.915  13.403   2.666
   53   3HD2  LEU   7          1HD2      LEU   7  -7.092  14.875   3.182
   54    H    LEU   8           H        LEU   8  -2.511  11.585   2.400
   55    HA   LEU   8           HA       LEU   8  -2.636  10.733  -0.279
   56   1HB   LEU   8          2HB       LEU   8  -0.883  12.142   0.165
   57   2HB   LEU   8          1HB       LEU   8  -0.632  11.457   1.757
   58    HG   LEU   8           HG       LEU   8   1.150  11.033   0.010
   59   1HD1  LEU   8          2HD1      LEU   8   0.271   9.546   2.168
   60   2HD1  LEU   8          1HD1      LEU   8   0.407   8.349   0.879
   61   3HD1  LEU   8          3HD1      LEU   8   1.806   9.323   1.329
   62   1HD2  LEU   8          1HD2      LEU   8  -1.071  10.061  -1.410
   63   2HD2  LEU   8          3HD2      LEU   8   0.621   9.939  -1.891
   64   3HD2  LEU   8          2HD2      LEU   8  -0.133   8.635  -0.973
   65    H    HIS   9           H        HIS   9  -1.575   9.244   2.733
   66    HA   HIS   9           HA       HIS   9  -1.276   6.634   1.467
   67   1HB   HIS   9          2HB       HIS   9   0.476   7.194   2.933
   68   2HB   HIS   9          1HB       HIS   9  -0.614   7.751   4.197
   69    HD1  HIS   9          1HD       HIS   9  -0.095   6.013   6.019
   70    HD2  HIS   9          2HD       HIS   9  -0.850   4.391   2.296
   71    HE1  HIS   9          1HE       HIS   9  -0.224   3.503   6.371
   72    H    ASP  10           H        ASP  10  -3.902   7.582   1.458
   73    HA   ASP  10           HA       ASP  10  -5.651   7.160   3.503
   74   1HB   ASP  10          2HB       ASP  10  -6.479   7.693   1.315
   75   2HB   ASP  10          1HB       ASP  10  -5.868   6.169   0.658
   76    H    LYS  11           H        LYS  11  -4.913   5.624   5.042
   77    HA   LYS  11           HA       LYS  11  -4.200   2.942   4.429
   78   1HB   LYS  11          2HB       LYS  11  -4.220   4.508   6.703
   79   2HB   LYS  11          1HB       LYS  11  -5.493   3.329   7.036
   80   1HG   LYS  11          2HG       LYS  11  -2.657   2.672   6.180
   81   2HG   LYS  11          1HG       LYS  11  -3.305   2.497   7.812
   82   1HD   LYS  11          2HD       LYS  11  -5.059   0.949   6.858
   83   2HD   LYS  11          1HD       LYS  11  -4.180   1.001   5.328
   84   1HE   LYS  11          2HE       LYS  11  -2.291  -0.076   6.235
   85   2HE   LYS  11          1HE       LYS  11  -2.765   0.292   7.893
   86   1HZ   LYS  11          2HZ       LYS  11  -4.689  -1.189   7.586
   87   2HZ   LYS  11          1HZ       LYS  11  -4.109  -1.605   6.044
   88   3HZ   LYS  11          3HZ       LYS  11  -3.208  -2.004   7.424
   89    H    GLY  12           H        GLY  12  -5.672   1.743   3.220
   90   1HA   GLY  12          2HA       GLY  12  -7.724   0.284   4.033
   91   2HA   GLY  12          1HA       GLY  12  -8.537   1.852   4.015
   92    H    LYS  13           H        LYS  13  -6.564   2.459   1.674
   93    HA   LYS  13           HA       LYS  13  -8.377   1.854  -0.458
   94   1HB   LYS  13          2HB       LYS  13  -5.739   3.128  -0.211
   95   2HB   LYS  13          1HB       LYS  13  -6.225   2.559  -1.808
   96   1HG   LYS  13          2HG       LYS  13  -8.035   4.264  -0.096
   97   2HG   LYS  13          1HG       LYS  13  -6.849   4.978  -1.192
   98   1HD   LYS  13          2HD       LYS  13  -8.217   4.620  -2.946
   99   2HD   LYS  13          1HD       LYS  13  -8.253   2.893  -2.579
  100   1HE   LYS  13          2HE       LYS  13 -10.415   3.134  -2.002
  101   2HE   LYS  13          1HE       LYS  13  -9.879   4.099  -0.627
  102   1HZ   LYS  13          2HZ       LYS  13  -9.735   5.859  -2.656
  103   2HZ   LYS  13          1HZ       LYS  13 -11.089   4.938  -3.106
  104   3HZ   LYS  13          3HZ       LYS  13 -11.056   5.713  -1.599
  105    H    SER  14           H        SER  14  -8.321  -0.438   0.422
  106    HA   SER  14           HA       SER  14  -7.567  -2.639   0.103
  107   1HB   SER  14          2HB       SER  14  -7.855  -3.256  -2.133
  108   2HB   SER  14          1HB       SER  14  -8.678  -1.701  -2.102
  109    HG   SER  14           HG       SER  14  -6.939  -0.754  -3.034
  110    H    ILE  15           H        ILE  15  -5.677  -2.745   1.297
  111    HA   ILE  15           HA       ILE  15  -3.221  -1.621   0.896
  112    HB   ILE  15           HB       ILE  15  -4.081  -4.283   1.800
  113   1HG1  ILE  15          2HG1      ILE  15  -3.742  -1.916   2.957
  114   2HG1  ILE  15          1HG1      ILE  15  -3.448  -3.404   3.837
  115   1HG2  ILE  15          3HG2      ILE  15  -1.197  -3.622   1.135
  116   2HG2  ILE  15          2HG2      ILE  15  -1.684  -4.958   2.178
  117   3HG2  ILE  15          1HG2      ILE  15  -2.150  -4.953   0.477
  118   1HD1  ILE  15          1HD1      ILE  15  -1.246  -2.089   2.255
  119   2HD1  ILE  15          3HD1      ILE  15  -1.623  -1.540   3.888
  120   3HD1  ILE  15          2HD1      ILE  15  -1.104  -3.203   3.616
  121    H    GLN  16           H        GLN  16  -4.820  -3.976  -1.005
  122    HA   GLN  16           HA       GLN  16  -3.209  -4.987  -2.946
  123   1HB   GLN  16          2HB       GLN  16  -5.497  -3.147  -3.713
  124   2HB   GLN  16          1HB       GLN  16  -5.042  -4.687  -4.461
  125   1HG   GLN  16          2HG       GLN  16  -6.403  -4.225  -1.799
  126   2HG   GLN  16          1HG       GLN  16  -7.026  -5.109  -3.190
  127   1HE2  GLN  16          2HE2      GLN  16  -5.327  -7.326  -0.485
  128   2HE2  GLN  16          1HE2      GLN  16  -6.258  -5.925  -0.258
  129    H    ASP  17           H        ASP  17  -4.202  -1.588  -2.529
  130    HA   ASP  17           HA       ASP  17  -2.403  -0.777  -4.728
  131   1HB   ASP  17          2HB       ASP  17  -4.774   0.259  -3.777
  132   2HB   ASP  17          1HB       ASP  17  -3.585   1.356  -3.076
  133    H    LEU  18           H        LEU  18  -2.635  -0.132  -1.193
  134    HA   LEU  18           HA       LEU  18  -0.274   1.396  -0.963
  135   1HB   LEU  18          2HB       LEU  18  -1.720   0.886   0.992
  136   2HB   LEU  18          1HB       LEU  18  -1.210  -0.802   0.920
  137    HG   LEU  18           HG       LEU  18   1.169  -0.009   1.180
  138   1HD1  LEU  18          1HD1      LEU  18  -0.230   2.612   1.788
  139   2HD1  LEU  18          3HD1      LEU  18   1.483   2.289   2.058
  140   3HD1  LEU  18          2HD1      LEU  18   0.835   2.299   0.418
  141   1HD2  LEU  18          2HD2      LEU  18  -0.875   0.577   3.335
  142   2HD2  LEU  18          1HD2      LEU  18   0.092  -0.883   3.131
  143   3HD2  LEU  18          3HD2      LEU  18   0.863   0.620   3.632
  144    H    ARG  19           H        ARG  19  -0.830  -1.928  -1.695
  145    HA   ARG  19           HA       ARG  19   1.813  -2.985  -1.319
  146   1HB   ARG  19          2HB       ARG  19   0.271  -4.688  -1.628
  147   2HB   ARG  19          1HB       ARG  19  -0.731  -3.717  -2.693
  148   1HG   ARG  19          2HG       ARG  19   1.006  -4.014  -4.490
  149   2HG   ARG  19          1HG       ARG  19   1.839  -5.151  -3.426
  150   1HD   ARG  19          2HD       ARG  19  -0.750  -5.447  -4.879
  151   2HD   ARG  19          1HD       ARG  19   0.509  -6.644  -4.578
  152    HE   ARG  19           HE       ARG  19  -1.598  -5.845  -2.630
  153   1HH1  ARG  19          1HH1      ARG  19  -0.446  -8.501  -4.141
  154   2HH1  ARG  19          2HH1      ARG  19  -0.062  -9.414  -2.721
  155   1HH2  ARG  19          1HH2      ARG  19  -0.463  -6.728  -0.564
  156   2HH2  ARG  19          2HH2      ARG  19  -0.067  -8.409  -0.695
  157    H    ARG  20           H        ARG  20   0.102  -1.530  -4.075
  158    HA   ARG  20           HA       ARG  20   2.394  -1.757  -5.806
  159   1HB   ARG  20          2HB       ARG  20   1.086  -0.737  -7.439
  160   2HB   ARG  20          1HB       ARG  20  -0.112  -1.524  -6.410
  161   1HG   ARG  20          2HG       ARG  20  -0.899   0.475  -5.569
  162   2HG   ARG  20          1HG       ARG  20   0.651   1.298  -5.758
  163   1HD   ARG  20          2HD       ARG  20  -0.322   2.236  -7.587
  164   2HD   ARG  20          1HD       ARG  20   0.067   0.693  -8.351
  165    HE   ARG  20           HE       ARG  20  -2.458   0.432  -7.061
  166   1HH1  ARG  20          1HH1      ARG  20  -4.355   1.399  -8.015
  167   2HH1  ARG  20          2HH1      ARG  20  -4.278   1.813  -9.695
  168   1HH2  ARG  20          1HH2      ARG  20  -0.865   1.258  -9.948
  169   2HH2  ARG  20          2HH2      ARG  20  -2.303   1.731 -10.791
  170    H    ARG  21           H        ARG  21   1.560   0.315  -3.251
  171    HA   ARG  21           HA       ARG  21   3.112   2.622  -4.142
  172   1HB   ARG  21          2HB       ARG  21   1.448   1.996  -1.917
  173   2HB   ARG  21          1HB       ARG  21   3.058   2.312  -1.259
  174   1HG   ARG  21          2HG       ARG  21   2.426   4.496  -1.382
  175   2HG   ARG  21          1HG       ARG  21   2.832   4.329  -3.091
  176   1HD   ARG  21          2HD       ARG  21   0.663   5.147  -3.249
  177   2HD   ARG  21          1HD       ARG  21   0.360   3.410  -3.265
  178    HE   ARG  21           HE       ARG  21   0.301   4.130  -0.566
  179   1HH1  ARG  21          1HH1      ARG  21  -2.114   3.081  -0.847
  180   2HH1  ARG  21          2HH1      ARG  21  -3.245   4.338  -1.219
  181   1HH2  ARG  21          1HH2      ARG  21  -0.803   6.606  -2.187
  182   2HH2  ARG  21          2HH2      ARG  21  -2.502   6.339  -1.976
  183    H    PHE  22           H        PHE  22   3.548  -0.395  -2.490
  184    HA   PHE  22           HA       PHE  22   6.417   0.078  -2.061
  185   1HB   PHE  22          2HB       PHE  22   4.697  -2.275  -1.407
  186   2HB   PHE  22          1HB       PHE  22   6.375  -2.068  -0.903
  187    HD1  PHE  22          1HD       PHE  22   6.541   0.723  -0.298
  188    HD2  PHE  22          2HD       PHE  22   3.355  -2.041   0.463
  189    HE1  PHE  22          1HE       PHE  22   5.729   2.168   1.529
  190    HE2  PHE  22          2HE       PHE  22   2.545  -0.600   2.301
  191    HZ   PHE  22           HZ       PHE  22   3.739   1.493   2.798
  192    H    PHE  23           H        PHE  23   4.202  -1.390  -4.234
  193    HA   PHE  23           HA       PHE  23   5.139  -3.514  -5.504
  194   1HB   PHE  23          2HB       PHE  23   3.988  -1.092  -6.495
  195   2HB   PHE  23          1HB       PHE  23   5.201  -1.645  -7.638
  196    HD1  PHE  23          1HD       PHE  23   3.303  -3.876  -5.399
  197    HD2  PHE  23          2HD       PHE  23   3.726  -2.266  -9.354
  198    HE1  PHE  23          1HE       PHE  23   1.683  -5.544  -6.256
  199    HE2  PHE  23          2HE       PHE  23   2.116  -3.932 -10.210
  200    HZ   PHE  23           HZ       PHE  23   1.108  -5.536  -8.653
  201    H    LEU  24           H        LEU  24   6.785  -0.394  -6.061
  202    HA   LEU  24           HA       LEU  24   9.142  -1.858  -7.104
  203   1HB   LEU  24          2HB       LEU  24   8.921   1.137  -6.853
  204   2HB   LEU  24          1HB       LEU  24   9.855   0.195  -8.015
  205    HG   LEU  24           HG       LEU  24   6.828   0.365  -7.903
  206   1HD1  LEU  24          1HD1      LEU  24   8.820   2.049  -9.099
  207   2HD1  LEU  24          3HD1      LEU  24   7.933   1.224 -10.381
  208   3HD1  LEU  24          2HD1      LEU  24   7.064   2.194  -9.190
  209   1HD2  LEU  24          3HD2      LEU  24   8.200  -1.776  -8.761
  210   2HD2  LEU  24          2HD2      LEU  24   6.744  -1.215  -9.584
  211   3HD2  LEU  24          1HD2      LEU  24   8.333  -0.782 -10.212
  212    H    HIS  25           H        HIS  25   8.041  -0.066  -4.311
  213    HA   HIS  25           HA       HIS  25  10.705   0.345  -3.188
  214   1HB   HIS  25          2HB       HIS  25   8.415   1.573  -2.688
  215   2HB   HIS  25          1HB       HIS  25   8.218   0.274  -1.508
  216    HD1  HIS  25          1HD       HIS  25  10.358   3.262  -2.304
  217    HD2  HIS  25          2HD       HIS  25  10.012   0.384   0.693
  218    HE1  HIS  25          1HE       HIS  25  11.804   4.054  -0.379
  219    H    HIS  26           H        HIS  26   8.412  -2.267  -3.246
  220    HA   HIS  26           HA       HIS  26   9.389  -3.605  -0.877
  221   1HB   HIS  26          2HB       HIS  26   7.111  -3.817  -2.246
  222   2HB   HIS  26          1HB       HIS  26   8.029  -5.130  -2.987
  223    HD1  HIS  26          1HD       HIS  26   8.296  -3.992   0.591
  224    HD2  HIS  26          2HD       HIS  26   7.007  -7.311  -1.571
  225    HE1  HIS  26          1HE       HIS  26   7.845  -5.805   2.280
  226    H    LEU  27           H        LEU  27   9.739  -4.206  -4.372
  227    HA   LEU  27           HA       LEU  27  11.676  -6.336  -3.906
  228   1HB   LEU  27          2HB       LEU  27  11.234  -4.956  -6.549
  229   2HB   LEU  27          1HB       LEU  27  11.685  -6.632  -6.244
  230    HG   LEU  27           HG       LEU  27   9.005  -5.378  -5.587
  231   1HD1  LEU  27          1HD1      LEU  27  10.089  -6.653  -7.960
  232   2HD1  LEU  27          3HD1      LEU  27   8.718  -7.560  -7.323
  233   3HD1  LEU  27          2HD1      LEU  27   8.532  -5.857  -7.737
  234   1HD2  LEU  27          3HD2      LEU  27  10.269  -8.036  -5.001
  235   2HD2  LEU  27          2HD2      LEU  27   9.233  -7.044  -3.975
  236   3HD2  LEU  27          1HD2      LEU  27   8.535  -7.962  -5.308
  237    H    ILE  28           H        ILE  28  12.059  -3.189  -3.355
  238    HA   ILE  28           HA       ILE  28  14.829  -3.164  -4.479
  239    HB   ILE  28           HB       ILE  28  13.144  -1.424  -5.360
  240   1HG1  ILE  28          2HG1      ILE  28  14.970   0.453  -4.831
  241   2HG1  ILE  28          1HG1      ILE  28  15.875  -0.944  -4.246
  242   1HG2  ILE  28          1HG2      ILE  28  12.436  -1.044  -2.827
  243   2HG2  ILE  28          3HG2      ILE  28  13.768   0.110  -2.866
  244   3HG2  ILE  28          2HG2      ILE  28  12.414   0.290  -3.982
  245   1HD1  ILE  28          3HD1      ILE  28  14.592  -1.549  -6.773
  246   2HD1  ILE  28          2HD1      ILE  28  15.607  -0.116  -6.920
  247   3HD1  ILE  28          1HD1      ILE  28  16.302  -1.633  -6.348
  248    H    ALA  29           H        ALA  29  12.952  -3.254  -1.655
  249    HA   ALA  29           HA       ALA  29  15.094  -3.426   0.121
  250   1HB   ALA  29          3HB       ALA  29  14.430  -0.659  -0.621
  251   2HB   ALA  29          2HB       ALA  29  14.448  -0.941   1.120
  252   3HB   ALA  29          1HB       ALA  29  15.881  -1.296   0.154
  253    H    GLU  30           H        GLU  30  14.389  -3.380   2.399
  254    HA   GLU  30           HA       GLU  30  11.662  -2.821   3.135
  255   1HB   GLU  30          2HB       GLU  30  10.950  -5.178   3.509
  256   2HB   GLU  30          1HB       GLU  30  11.192  -4.820   1.796
  257   1HG   GLU  30          2HG       GLU  30  13.547  -5.734   2.048
  258   2HG   GLU  30          1HG       GLU  30  13.073  -6.301   3.653
  259    H    ILE  31           H        ILE  31  11.581  -2.690   5.376
  260    HA   ILE  31           HA       ILE  31  13.851  -3.948   6.864
  261    HB   ILE  31           HB       ILE  31  12.578  -1.432   7.842
  262   1HG1  ILE  31          2HG1      ILE  31  14.706  -0.441   6.472
  263   2HG1  ILE  31          1HG1      ILE  31  14.194  -1.721   5.372
  264   1HG2  ILE  31          1HG2      ILE  31  14.567  -3.033   8.791
  265   2HG2  ILE  31          3HG2      ILE  31  15.507  -1.861   7.869
  266   3HG2  ILE  31          2HG2      ILE  31  14.438  -1.314   9.160
  267   1HD1  ILE  31          3HD1      ILE  31  12.081   0.046   6.526
  268   2HD1  ILE  31          2HD1      ILE  31  13.111   0.717   5.262
  269   3HD1  ILE  31          1HD1      ILE  31  12.152  -0.729   4.944
  270    H    HIS  32           H        HIS  32  11.325  -5.129   6.512
  271    HA   HIS  32           HA       HIS  32  10.057  -4.810   9.157
  272   1HB   HIS  32          2HB       HIS  32   9.042  -5.732   6.493
  273   2HB   HIS  32          1HB       HIS  32   8.243  -6.295   7.966
  274    HD1  HIS  32          1HD       HIS  32   7.048  -4.508   9.439
  275    HD2  HIS  32          2HD       HIS  32   8.701  -2.968   5.935
  276    HE1  HIS  32          1HE       HIS  32   6.095  -2.177   9.162
  277    H    THR  33           H        THR  33  12.398  -6.156   9.307
  278    HA   THR  33           HA       THR  33  13.381  -8.229   9.827
  279    HB   THR  33           HB       THR  33  11.386  -9.799  10.822
  280    HG1  THR  33          1HG       THR  33  10.158  -7.909  11.918
  281   1HG2  THR  33          2HG2      THR  33  13.069  -7.598  11.926
  282   2HG2  THR  33          1HG2      THR  33  11.798  -8.249  12.960
  283   3HG2  THR  33          3HG2      THR  33  13.056  -9.313  12.331
  284    H    ALA  34           H        ALA  34  13.150  -8.214   7.213
  285    HA   ALA  34           HA       ALA  34  12.435 -10.974   6.542
  286   1HB   ALA  34          3HB       ALA  34  10.686  -8.709   5.861
  287   2HB   ALA  34          2HB       ALA  34  11.145  -9.691   4.471
  288   3HB   ALA  34          1HB       ALA  34  10.341 -10.438   5.851
   
  No H/Q in entry =         288
  Start of MODEL   15
    1   1H    ALA   1          2HT       ALA   1 -24.709  -9.307   0.102
    2   2H    ALA   1          1HT       ALA   1 -24.893 -10.923   0.593
    3   3H    ALA   1          3HT       ALA   1 -24.506  -9.732   1.735
    4    HA   ALA   1           HA       ALA   1 -22.433 -10.550   1.439
    5   1HB   ALA   1          1HB       ALA   1 -23.680 -11.959  -0.590
    6   2HB   ALA   1          3HB       ALA   1 -22.469 -11.015  -1.458
    7   3HB   ALA   1          2HB       ALA   1 -21.976 -12.096  -0.154
    8    H    VAL   2           H        VAL   2 -23.174  -9.225  -1.802
    9    HA   VAL   2           HA       VAL   2 -20.936  -7.627  -2.094
   10    HB   VAL   2           HB       VAL   2 -22.888  -7.989  -3.732
   11   1HG1  VAL   2          1HG1      VAL   2 -24.430  -6.844  -1.883
   12   2HG1  VAL   2          3HG1      VAL   2 -23.944  -5.378  -2.732
   13   3HG1  VAL   2          2HG1      VAL   2 -24.778  -6.664  -3.602
   14   1HG2  VAL   2          3HG2      VAL   2 -20.834  -6.352  -3.871
   15   2HG2  VAL   2          2HG2      VAL   2 -22.160  -6.179  -5.021
   16   3HG2  VAL   2          1HG2      VAL   2 -22.055  -5.103  -3.629
   17    H    SER   3           H        SER   3 -23.642  -7.116   0.028
   18    HA   SER   3           HA       SER   3 -24.218  -5.296   1.415
   19   1HB   SER   3          2HB       SER   3 -22.644  -5.113   3.107
   20   2HB   SER   3          1HB       SER   3 -22.124  -6.605   2.317
   21    HG   SER   3           HG       SER   3 -20.515  -4.832   2.746
   22    H    GLU   4           H        GLU   4 -24.865  -3.570   0.132
   23    HA   GLU   4           HA       GLU   4 -23.438  -1.945  -1.588
   24   1HB   GLU   4          2HB       GLU   4 -25.835  -1.636  -1.133
   25   2HB   GLU   4          1HB       GLU   4 -25.463  -1.022   0.474
   26   1HG   GLU   4          2HG       GLU   4 -24.300   0.888  -0.460
   27   2HG   GLU   4          1HG       GLU   4 -24.460   0.239  -2.092
   28    H    HIS   5           H        HIS   5 -23.627  -1.544   1.956
   29    HA   HIS   5           HA       HIS   5 -22.181   0.748   2.345
   30   1HB   HIS   5          2HB       HIS   5 -22.779  -1.546   3.894
   31   2HB   HIS   5          1HB       HIS   5 -21.082  -1.140   4.151
   32    HD1  HIS   5          1HD       HIS   5 -20.762   1.646   4.509
   33    HD2  HIS   5          2HD       HIS   5 -24.412  -0.083   5.533
   34    HE1  HIS   5          1HE       HIS   5 -21.904   3.267   6.087
   35    H    GLN   6           H        GLN   6 -20.873  -2.322   1.227
   36    HA   GLN   6           HA       GLN   6 -18.152  -1.900   1.637
   37   1HB   GLN   6          2HB       GLN   6 -19.763  -3.345  -0.335
   38   2HB   GLN   6          1HB       GLN   6 -18.156  -2.901  -0.908
   39   1HG   GLN   6          2HG       GLN   6 -18.814  -4.443   1.622
   40   2HG   GLN   6          1HG       GLN   6 -18.047  -5.091   0.171
   41   1HE2  GLN   6          2HE2      GLN   6 -15.048  -2.968   0.832
   42   2HE2  GLN   6          1HE2      GLN   6 -16.167  -3.122  -0.446
   43    H    LEU   7           H        LEU   7 -16.578  -1.136  -0.282
   44    HA   LEU   7           HA       LEU   7 -15.953   0.625  -1.740
   45   1HB   LEU   7          2HB       LEU   7 -18.709   0.190  -2.325
   46   2HB   LEU   7          1HB       LEU   7 -18.496   1.930  -2.130
   47    HG   LEU   7           HG       LEU   7 -16.548   0.337  -3.783
   48   1HD1  LEU   7          3HD1      LEU   7 -19.372   0.931  -4.384
   49   2HD1  LEU   7          2HD1      LEU   7 -18.241   1.482  -5.621
   50   3HD1  LEU   7          1HD1      LEU   7 -18.275  -0.218  -5.151
   51   1HD2  LEU   7          3HD2      LEU   7 -16.014   2.672  -3.159
   52   2HD2  LEU   7          2HD2      LEU   7 -16.281   2.525  -4.897
   53   3HD2  LEU   7          1HD2      LEU   7 -17.541   3.205  -3.866
   54    H    LEU   8           H        LEU   8 -18.842   1.814   0.071
   55    HA   LEU   8           HA       LEU   8 -17.491   4.177   0.898
   56   1HB   LEU   8          2HB       LEU   8 -19.828   4.359   0.769
   57   2HB   LEU   8          1HB       LEU   8 -20.051   2.812   1.567
   58    HG   LEU   8           HG       LEU   8 -19.403   3.677   3.681
   59   1HD1  LEU   8          3HD1      LEU   8 -17.995   5.554   2.001
   60   2HD1  LEU   8          2HD1      LEU   8 -18.905   6.417   3.245
   61   3HD1  LEU   8          1HD1      LEU   8 -17.731   5.182   3.704
   62   1HD2  LEU   8          2HD2      LEU   8 -21.236   5.471   2.104
   63   2HD2  LEU   8          1HD2      LEU   8 -21.643   4.314   3.372
   64   3HD2  LEU   8          3HD2      LEU   8 -20.870   5.844   3.789
   65    H    HIS   9           H        HIS   9 -18.210   1.015   2.192
   66    HA   HIS   9           HA       HIS   9 -17.195   1.460   4.824
   67   1HB   HIS   9          2HB       HIS   9 -18.732  -0.310   4.561
   68   2HB   HIS   9          1HB       HIS   9 -17.843  -1.002   3.203
   69    HD1  HIS   9          1HD       HIS   9 -16.493  -3.014   3.918
   70    HD2  HIS   9          2HD       HIS   9 -16.953  -0.207   6.922
   71    HE1  HIS   9          1HE       HIS   9 -15.290  -3.959   5.945
   72    H    ASP  10           H        ASP  10 -15.635   1.306   1.892
   73    HA   ASP  10           HA       ASP  10 -13.490   0.555   1.212
   74   1HB   ASP  10          2HB       ASP  10 -13.171   2.775   1.752
   75   2HB   ASP  10          1HB       ASP  10 -13.453   2.495   3.468
   76    H    LYS  11           H        LYS  11 -13.690  -1.763   1.890
   77    HA   LYS  11           HA       LYS  11 -13.089  -2.836   4.379
   78   1HB   LYS  11          2HB       LYS  11 -13.654  -4.329   2.586
   79   2HB   LYS  11          1HB       LYS  11 -12.281  -3.781   1.618
   80   1HG   LYS  11          2HG       LYS  11 -11.345  -4.693   4.189
   81   2HG   LYS  11          1HG       LYS  11 -12.340  -5.943   3.445
   82   1HD   LYS  11          2HD       LYS  11 -10.256  -4.511   1.815
   83   2HD   LYS  11          1HD       LYS  11  -9.792  -5.852   2.864
   84   1HE   LYS  11          2HE       LYS  11 -10.566  -7.339   1.363
   85   2HE   LYS  11          1HE       LYS  11 -12.157  -6.579   1.396
   86   1HZ   LYS  11          1HZ       LYS  11 -10.880  -4.815  -0.068
   87   2HZ   LYS  11          3HZ       LYS  11  -9.936  -6.169  -0.454
   88   3HZ   LYS  11          2HZ       LYS  11 -11.608  -6.190  -0.751
   89    H    GLY  12           H        GLY  12 -10.986  -1.146   2.179
   90   1HA   GLY  12          2HA       GLY  12  -8.971  -0.726   4.153
   91   2HA   GLY  12          1HA       GLY  12  -8.454  -2.038   3.097
   92    H    LYS  13           H        LYS  13  -9.891  -0.791   0.768
   93    HA   LYS  13           HA       LYS  13  -9.311   0.568  -1.039
   94   1HB   LYS  13          2HB       LYS  13  -9.079   2.130   1.415
   95   2HB   LYS  13          1HB       LYS  13  -8.731   2.928  -0.124
   96   1HG   LYS  13          2HG       LYS  13 -11.285   1.386   0.447
   97   2HG   LYS  13          1HG       LYS  13 -11.152   3.133   0.633
   98   1HD   LYS  13          2HD       LYS  13 -10.476   3.306  -1.755
   99   2HD   LYS  13          1HD       LYS  13 -10.694   1.561  -1.918
  100   1HE   LYS  13          2HE       LYS  13 -13.014   1.694  -1.680
  101   2HE   LYS  13          1HE       LYS  13 -12.939   3.239  -0.834
  102   1HZ   LYS  13          3HZ       LYS  13 -12.074   2.985  -3.646
  103   2HZ   LYS  13          2HZ       LYS  13 -13.705   3.241  -3.246
  104   3HZ   LYS  13          1HZ       LYS  13 -12.528   4.382  -2.798
  105    H    SER  14           H        SER  14  -7.604   0.788  -2.321
  106    HA   SER  14           HA       SER  14  -5.374   0.368  -2.886
  107   1HB   SER  14          2HB       SER  14  -4.434   2.387  -0.931
  108   2HB   SER  14          1HB       SER  14  -4.164   2.301  -2.672
  109    HG   SER  14           HG       SER  14  -6.176   3.164  -3.010
  110    H    ILE  15           H        ILE  15  -6.424  -1.210  -0.985
  111    HA   ILE  15           HA       ILE  15  -4.445  -1.623   1.124
  112    HB   ILE  15           HB       ILE  15  -6.119  -3.901   0.730
  113   1HG1  ILE  15          2HG1      ILE  15  -8.281  -2.510   1.305
  114   2HG1  ILE  15          1HG1      ILE  15  -7.466  -1.263   0.429
  115   1HG2  ILE  15          1HG2      ILE  15  -6.037  -1.734   2.837
  116   2HG2  ILE  15          3HG2      ILE  15  -6.975  -3.218   2.998
  117   3HG2  ILE  15          2HG2      ILE  15  -5.217  -3.295   2.886
  118   1HD1  ILE  15          3HD1      ILE  15  -7.411  -3.883  -0.895
  119   2HD1  ILE  15          2HD1      ILE  15  -9.026  -3.199  -0.716
  120   3HD1  ILE  15          1HD1      ILE  15  -7.776  -2.295  -1.569
  121    H    GLN  16           H        GLN  16  -5.856  -3.177  -1.649
  122    HA   GLN  16           HA       GLN  16  -3.855  -5.185  -2.107
  123   1HB   GLN  16          2HB       GLN  16  -5.752  -3.746  -4.008
  124   2HB   GLN  16          1HB       GLN  16  -4.905  -5.259  -4.362
  125   1HG   GLN  16          2HG       GLN  16  -6.214  -5.661  -1.889
  126   2HG   GLN  16          1HG       GLN  16  -7.390  -4.859  -2.933
  127   1HE2  GLN  16          2HE2      GLN  16  -7.238  -8.664  -3.479
  128   2HE2  GLN  16          1HE2      GLN  16  -7.228  -7.770  -2.037
  129    H    ASP  17           H        ASP  17  -4.167  -1.778  -2.483
  130    HA   ASP  17           HA       ASP  17  -1.937  -1.611  -4.425
  131   1HB   ASP  17          2HB       ASP  17  -3.485   0.638  -3.096
  132   2HB   ASP  17          1HB       ASP  17  -2.413   0.775  -4.489
  133    H    LEU  18           H        LEU  18  -2.623  -1.090  -0.962
  134    HA   LEU  18           HA       LEU  18  -0.333   0.385  -0.219
  135   1HB   LEU  18          2HB       LEU  18  -0.560  -0.542   1.943
  136   2HB   LEU  18          1HB       LEU  18  -2.187  -0.720   1.289
  137    HG   LEU  18           HG       LEU  18  -1.156  -3.052   0.440
  138   1HD1  LEU  18          3HD1      LEU  18   0.377  -2.353   2.963
  139   2HD1  LEU  18          2HD1      LEU  18   0.288  -3.968   2.261
  140   3HD1  LEU  18          1HD1      LEU  18   1.069  -2.661   1.371
  141   1HD2  LEU  18          3HD2      LEU  18  -2.731  -2.143   2.701
  142   2HD2  LEU  18          2HD2      LEU  18  -2.910  -3.616   1.748
  143   3HD2  LEU  18          1HD2      LEU  18  -1.813  -3.587   3.128
  144    H    ARG  19           H        ARG  19  -0.772  -2.795  -1.426
  145    HA   ARG  19           HA       ARG  19   1.863  -3.876  -1.034
  146   1HB   ARG  19          2HB       ARG  19   0.110  -5.418  -1.471
  147   2HB   ARG  19          1HB       ARG  19  -0.567  -4.407  -2.737
  148   1HG   ARG  19          2HG       ARG  19   1.577  -4.858  -4.058
  149   2HG   ARG  19          1HG       ARG  19   1.899  -6.141  -2.888
  150   1HD   ARG  19          2HD       ARG  19  -0.144  -5.987  -5.031
  151   2HD   ARG  19          1HD       ARG  19   0.682  -7.395  -4.369
  152    HE   ARG  19           HE       ARG  19  -0.992  -6.658  -2.317
  153   1HH1  ARG  19          1HH1      ARG  19  -2.252  -8.849  -2.715
  154   2HH1  ARG  19          2HH1      ARG  19  -3.512  -8.648  -3.886
  155   1HH2  ARG  19          1HH2      ARG  19  -2.255  -5.661  -5.117
  156   2HH2  ARG  19          2HH2      ARG  19  -3.516  -6.843  -5.243
  157    H    ARG  20           H        ARG  20   0.172  -2.448  -3.845
  158    HA   ARG  20           HA       ARG  20   2.552  -2.367  -5.444
  159   1HB   ARG  20          2HB       ARG  20   1.247  -1.321  -7.076
  160   2HB   ARG  20          1HB       ARG  20   0.066  -2.253  -6.156
  161   1HG   ARG  20          2HG       ARG  20  -0.524  -0.253  -4.856
  162   2HG   ARG  20          1HG       ARG  20   0.675   0.687  -5.747
  163   1HD   ARG  20          2HD       ARG  20  -1.278  -0.827  -7.389
  164   2HD   ARG  20          1HD       ARG  20  -1.926   0.545  -6.487
  165    HE   ARG  20           HE       ARG  20   0.450   1.407  -7.777
  166   1HH1  ARG  20          1HH1      ARG  20  -2.746   1.966  -7.948
  167   2HH1  ARG  20          2HH1      ARG  20  -2.866   2.093  -9.671
  168   1HH2  ARG  20          1HH2      ARG  20   0.314   0.851 -10.254
  169   2HH2  ARG  20          2HH2      ARG  20  -1.137   1.462 -10.974
  170    H    ARG  21           H        ARG  21   1.036  -0.092  -3.205
  171    HA   ARG  21           HA       ARG  21   2.640   2.181  -3.801
  172   1HB   ARG  21          2HB       ARG  21   1.121   1.175  -1.468
  173   2HB   ARG  21          1HB       ARG  21   2.485   2.214  -1.047
  174   1HG   ARG  21          2HG       ARG  21   0.844   3.816  -1.382
  175   2HG   ARG  21          1HG       ARG  21   1.514   3.711  -3.011
  176   1HD   ARG  21          2HD       ARG  21  -0.854   3.556  -3.280
  177   2HD   ARG  21          1HD       ARG  21  -0.242   1.913  -3.470
  178    HE   ARG  21           HE       ARG  21  -1.436   1.327  -1.529
  179   1HH1  ARG  21          1HH1      ARG  21  -1.337   2.024   0.813
  180   2HH1  ARG  21          2HH1      ARG  21  -2.068   3.562   1.129
  181   1HH2  ARG  21          1HH2      ARG  21  -2.188   4.486  -2.213
  182   2HH2  ARG  21          2HH2      ARG  21  -2.546   4.959  -0.585
  183    H    PHE  22           H        PHE  22   3.251  -0.884  -2.319
  184    HA   PHE  22           HA       PHE  22   6.000  -0.144  -1.577
  185   1HB   PHE  22          2HB       PHE  22   4.535  -2.710  -1.167
  186   2HB   PHE  22          1HB       PHE  22   6.086  -2.278  -0.450
  187    HD1  PHE  22          1HD       PHE  22   5.183   0.736  -0.232
  188    HD2  PHE  22          2HD       PHE  22   3.501  -3.006   1.040
  189    HE1  PHE  22          1HE       PHE  22   3.946   1.901   1.545
  190    HE2  PHE  22          2HE       PHE  22   2.264  -1.826   2.828
  191    HZ   PHE  22           HZ       PHE  22   2.504   0.614   3.036
  192    H    PHE  23           H        PHE  23   4.126  -1.932  -3.895
  193    HA   PHE  23           HA       PHE  23   5.452  -3.835  -5.157
  194   1HB   PHE  23          2HB       PHE  23   4.028  -1.553  -6.222
  195   2HB   PHE  23          1HB       PHE  23   5.308  -2.051  -7.316
  196    HD1  PHE  23          1HD       PHE  23   3.805  -2.813  -8.997
  197    HD2  PHE  23          2HD       PHE  23   3.687  -4.403  -5.014
  198    HE1  PHE  23          1HE       PHE  23   2.364  -4.662  -9.782
  199    HE2  PHE  23          2HE       PHE  23   2.250  -6.258  -5.801
  200    HZ   PHE  23           HZ       PHE  23   1.600  -6.354  -8.174
  201    H    LEU  24           H        LEU  24   6.457  -0.630  -6.320
  202    HA   LEU  24           HA       LEU  24   9.069  -1.559  -7.095
  203   1HB   LEU  24          2HB       LEU  24   8.024   1.255  -6.637
  204   2HB   LEU  24          1HB       LEU  24   9.564   0.868  -7.406
  205    HG   LEU  24           HG       LEU  24   7.243  -0.566  -8.529
  206   1HD1  LEU  24          1HD1      LEU  24   7.218   2.351  -8.194
  207   2HD1  LEU  24          3HD1      LEU  24   7.047   1.837  -9.873
  208   3HD1  LEU  24          2HD1      LEU  24   5.910   1.261  -8.654
  209   1HD2  LEU  24          3HD2      LEU  24   9.862   0.421  -9.293
  210   2HD2  LEU  24          2HD2      LEU  24   8.859  -0.793 -10.088
  211   3HD2  LEU  24          1HD2      LEU  24   8.645   0.914 -10.470
  212    H    HIS  25           H        HIS  25   7.847   0.252  -4.276
  213    HA   HIS  25           HA       HIS  25  10.257   0.870  -2.999
  214   1HB   HIS  25          2HB       HIS  25   7.615   0.964  -2.275
  215   2HB   HIS  25          1HB       HIS  25   8.221  -0.308  -1.207
  216    HD1  HIS  25          1HD       HIS  25   7.429   2.712  -0.369
  217    HD2  HIS  25          2HD       HIS  25  11.283   1.204  -0.877
  218    HE1  HIS  25          1HE       HIS  25   8.966   4.202   0.987
  219    H    HIS  26           H        HIS  26   8.561  -2.238  -3.132
  220    HA   HIS  26           HA       HIS  26  10.313  -3.638  -1.361
  221   1HB   HIS  26          2HB       HIS  26   7.949  -4.227  -2.530
  222   2HB   HIS  26          1HB       HIS  26   9.069  -5.164  -3.520
  223    HD1  HIS  26          1HD       HIS  26   9.308  -4.396   0.175
  224    HD2  HIS  26          2HD       HIS  26   8.950  -7.681  -2.360
  225    HE1  HIS  26          1HE       HIS  26   9.566  -6.438   1.624
  226    H    LEU  27           H        LEU  27  10.027  -3.910  -4.906
  227    HA   LEU  27           HA       LEU  27  12.498  -5.303  -5.246
  228   1HB   LEU  27          2HB       LEU  27  11.129  -3.522  -7.278
  229   2HB   LEU  27          1HB       LEU  27  12.213  -4.874  -7.606
  230    HG   LEU  27           HG       LEU  27   9.505  -5.076  -6.255
  231   1HD1  LEU  27          1HD1      LEU  27  10.490  -5.535  -9.058
  232   2HD1  LEU  27          3HD1      LEU  27   9.155  -6.504  -8.431
  233   3HD1  LEU  27          2HD1      LEU  27   9.008  -4.749  -8.514
  234   1HD2  LEU  27          2HD2      LEU  27  11.193  -6.741  -5.480
  235   2HD2  LEU  27          1HD2      LEU  27   9.878  -7.494  -6.382
  236   3HD2  LEU  27          3HD2      LEU  27  11.441  -7.233  -7.155
  237    H    ILE  28           H        ILE  28  13.944  -3.940  -7.159
  238    HA   ILE  28           HA       ILE  28  15.593  -2.299  -7.430
  239    HB   ILE  28           HB       ILE  28  13.755  -0.712  -5.614
  240   1HG1  ILE  28          2HG1      ILE  28  14.164  -0.475  -8.603
  241   2HG1  ILE  28          1HG1      ILE  28  12.913  -1.502  -7.902
  242   1HG2  ILE  28          1HG2      ILE  28  16.190   0.070  -7.234
  243   2HG2  ILE  28          3HG2      ILE  28  15.017   1.239  -6.624
  244   3HG2  ILE  28          2HG2      ILE  28  15.952   0.258  -5.496
  245   1HD1  ILE  28          1HD1      ILE  28  12.775   1.030  -6.599
  246   2HD1  ILE  28          3HD1      ILE  28  12.843   1.328  -8.336
  247   3HD1  ILE  28          2HD1      ILE  28  11.580   0.294  -7.667
  248    H    ALA  29           H        ALA  29  14.492  -2.160  -4.017
  249    HA   ALA  29           HA       ALA  29  17.168  -3.006  -3.187
  250   1HB   ALA  29          3HB       ALA  29  16.483  -0.302  -3.199
  251   2HB   ALA  29          2HB       ALA  29  16.239  -0.801  -1.525
  252   3HB   ALA  29          1HB       ALA  29  17.810  -1.031  -2.293
  253    H    GLU  30           H        GLU  30  17.073  -3.094  -0.580
  254    HA   GLU  30           HA       GLU  30  16.075  -4.178   1.249
  255   1HB   GLU  30          2HB       GLU  30  13.361  -3.544   0.273
  256   2HB   GLU  30          1HB       GLU  30  14.024  -3.388   1.894
  257   1HG   GLU  30          2HG       GLU  30  15.431  -1.468   1.030
  258   2HG   GLU  30          1HG       GLU  30  14.506  -1.551  -0.471
  259    H    ILE  31           H        ILE  31  16.153  -6.372   1.200
  260    HA   ILE  31           HA       ILE  31  14.150  -7.781  -0.501
  261    HB   ILE  31           HB       ILE  31  17.012  -8.678  -0.117
  262   1HG1  ILE  31          2HG1      ILE  31  16.718  -6.557  -1.494
  263   2HG1  ILE  31          1HG1      ILE  31  17.468  -7.905  -2.347
  264   1HG2  ILE  31          2HG2      ILE  31  14.625  -9.709  -1.629
  265   2HG2  ILE  31          1HG2      ILE  31  16.254 -10.074  -2.198
  266   3HG2  ILE  31          3HG2      ILE  31  15.745 -10.592  -0.590
  267   1HD1  ILE  31          1HD1      ILE  31  14.545  -7.942  -2.520
  268   2HD1  ILE  31          3HD1      ILE  31  15.256  -6.489  -3.226
  269   3HD1  ILE  31          2HD1      ILE  31  15.746  -8.082  -3.803
  270    H    HIS  32           H        HIS  32  14.040  -7.150   2.259
  271    HA   HIS  32           HA       HIS  32  13.096  -9.461   3.436
  272   1HB   HIS  32          2HB       HIS  32  15.167  -9.855   5.038
  273   2HB   HIS  32          1HB       HIS  32  15.083 -10.665   3.471
  274    HD1  HIS  32          1HD       HIS  32  16.156  -7.126   4.439
  275    HD2  HIS  32          2HD       HIS  32  17.605 -10.444   2.371
  276    HE1  HIS  32          1HE       HIS  32  18.402  -6.450   3.484
  277    H    THR  33           H        THR  33  11.922  -7.342   3.923
  278    HA   THR  33           HA       THR  33  12.662  -6.501   6.654
  279    HB   THR  33           HB       THR  33  11.973  -4.079   5.421
  280    HG1  THR  33          1HG       THR  33  14.035  -5.351   3.964
  281   1HG2  THR  33          2HG2      THR  33  14.411  -5.336   6.591
  282   2HG2  THR  33          1HG2      THR  33  14.616  -3.819   5.716
  283   3HG2  THR  33          3HG2      THR  33  13.532  -3.896   7.105
  284    H    ALA  34           H        ALA  34  10.550  -8.070   6.188
  285    HA   ALA  34           HA       ALA  34   8.249  -6.207   6.511
  286   1HB   ALA  34          3HB       ALA  34   8.579  -8.362   4.479
  287   2HB   ALA  34          2HB       ALA  34   6.997  -8.221   5.245
  288   3HB   ALA  34          1HB       ALA  34   7.681  -6.847   4.376
   
  No H/Q in entry =         288
  Start of MODEL   16
    1   1H    ALA   1          3HT       ALA   1 -19.004   7.582  21.266
    2   2H    ALA   1          2HT       ALA   1 -18.320   7.578  22.822
    3   3H    ALA   1          1HT       ALA   1 -17.481   8.284  21.523
    4    HA   ALA   1           HA       ALA   1 -16.429   6.239  21.816
    5   1HB   ALA   1          1HB       ALA   1 -19.106   5.480  22.697
    6   2HB   ALA   1          3HB       ALA   1 -18.399   4.270  21.626
    7   3HB   ALA   1          2HB       ALA   1 -17.550   4.751  23.095
    8    H    VAL   2           H        VAL   2 -15.686   6.526  19.715
    9    HA   VAL   2           HA       VAL   2 -17.079   6.670  17.336
   10    HB   VAL   2           HB       VAL   2 -14.615   6.875  17.531
   11   1HG1  VAL   2          1HG1      VAL   2 -14.907   3.947  18.108
   12   2HG1  VAL   2          3HG1      VAL   2 -13.449   4.517  17.295
   13   3HG1  VAL   2          2HG1      VAL   2 -13.869   5.139  18.891
   14   1HG2  VAL   2          3HG2      VAL   2 -16.020   5.297  15.475
   15   2HG2  VAL   2          2HG2      VAL   2 -14.947   6.684  15.289
   16   3HG2  VAL   2          1HG2      VAL   2 -14.272   5.067  15.495
   17    H    SER   3           H        SER   3 -17.840   5.140  15.806
   18    HA   SER   3           HA       SER   3 -19.186   2.867  16.818
   19   1HB   SER   3          2HB       SER   3 -19.788   2.409  14.593
   20   2HB   SER   3          1HB       SER   3 -19.466   4.144  14.557
   21    HG   SER   3           HG       SER   3 -18.240   3.445  12.940
   22    H    GLU   4           H        GLU   4 -18.706   0.574  15.727
   23    HA   GLU   4           HA       GLU   4 -15.878  -0.060  16.433
   24   1HB   GLU   4          2HB       GLU   4 -17.894  -1.204  17.568
   25   2HB   GLU   4          1HB       GLU   4 -18.112  -2.052  16.040
   26   1HG   GLU   4          2HG       GLU   4 -16.185  -3.284  16.284
   27   2HG   GLU   4          1HG       GLU   4 -15.366  -2.019  17.202
   28    H    HIS   5           H        HIS   5 -18.315  -0.440  13.905
   29    HA   HIS   5           HA       HIS   5 -17.202  -2.223  12.153
   30   1HB   HIS   5          2HB       HIS   5 -18.996  -0.057  11.942
   31   2HB   HIS   5          1HB       HIS   5 -17.839   0.092  10.621
   32    HD1  HIS   5          1HD       HIS   5 -17.413  -2.361   9.335
   33    HD2  HIS   5          2HD       HIS   5 -21.018  -1.807  11.349
   34    HE1  HIS   5          1HE       HIS   5 -19.023  -4.080   8.404
   35    H    GLN   6           H        GLN   6 -15.863   0.905  12.988
   36    HA   GLN   6           HA       GLN   6 -14.098   1.346  10.892
   37   1HB   GLN   6          2HB       GLN   6 -14.175   1.999  13.711
   38   2HB   GLN   6          1HB       GLN   6 -12.523   1.781  13.136
   39   1HG   GLN   6          2HG       GLN   6 -14.539   3.470  11.649
   40   2HG   GLN   6          1HG       GLN   6 -13.503   4.142  12.909
   41   1HE2  GLN   6          2HE2      GLN   6 -10.473   3.456  10.940
   42   2HE2  GLN   6          1HE2      GLN   6 -11.035   3.223  12.534
   43    H    LEU   7           H        LEU   7 -11.645   0.749  10.917
   44    HA   LEU   7           HA       LEU   7 -10.009  -0.937  10.899
   45   1HB   LEU   7          2HB       LEU   7 -11.101  -1.130  13.416
   46   2HB   LEU   7          1HB       LEU   7 -11.427  -2.738  12.768
   47    HG   LEU   7           HG       LEU   7  -8.704  -1.458  12.534
   48   1HD1  LEU   7          1HD1      LEU   7  -9.888  -2.012  14.961
   49   2HD1  LEU   7          3HD1      LEU   7  -9.056  -3.525  14.600
   50   3HD1  LEU   7          2HD1      LEU   7  -8.148  -2.013  14.666
   51   1HD2  LEU   7          1HD2      LEU   7  -9.236  -3.397  11.086
   52   2HD2  LEU   7          3HD2      LEU   7  -8.002  -3.807  12.277
   53   3HD2  LEU   7          2HD2      LEU   7  -9.667  -4.338  12.516
   54    H    LEU   8           H        LEU   8 -13.080  -2.753  11.553
   55    HA   LEU   8           HA       LEU   8 -12.596  -4.671   9.547
   56   1HB   LEU   8          2HB       LEU   8 -14.213  -5.199  11.200
   57   2HB   LEU   8          1HB       LEU   8 -15.050  -3.673  10.926
   58    HG   LEU   8           HG       LEU   8 -15.609  -4.383   8.651
   59   1HD1  LEU   8          3HD1      LEU   8 -13.554  -6.225   9.183
   60   2HD1  LEU   8          2HD1      LEU   8 -15.021  -7.189   8.984
   61   3HD1  LEU   8          1HD1      LEU   8 -14.502  -6.094   7.701
   62   1HD2  LEU   8          2HD2      LEU   8 -16.586  -5.542  11.097
   63   2HD2  LEU   8          1HD2      LEU   8 -17.485  -5.138   9.633
   64   3HD2  LEU   8          3HD2      LEU   8 -16.722  -6.720   9.791
   65    H    HIS   9           H        HIS   9 -14.636  -1.818   9.708
   66    HA   HIS   9           HA       HIS   9 -15.655  -1.591   7.175
   67   1HB   HIS   9          2HB       HIS   9 -16.313   0.124   8.527
   68   2HB   HIS   9          1HB       HIS   9 -14.734   0.305   9.288
   69    HD1  HIS   9          1HD       HIS   9 -14.013   2.682   8.734
   70    HD2  HIS   9          2HD       HIS   9 -15.757   0.682   5.574
   71    HE1  HIS   9          1HE       HIS   9 -13.838   4.251   6.744
   72    H    ASP  10           H        ASP  10 -12.663   0.114   8.079
   73    HA   ASP  10           HA       ASP  10 -11.793  -0.003   5.291
   74   1HB   ASP  10          2HB       ASP  10 -11.730   2.138   6.552
   75   2HB   ASP  10          1HB       ASP  10 -10.569   1.412   7.657
   76    H    LYS  11           H        LYS  11 -11.505  -2.474   5.766
   77    HA   LYS  11           HA       LYS  11  -9.619  -3.596   7.438
   78   1HB   LYS  11          2HB       LYS  11 -10.921  -4.955   5.882
   79   2HB   LYS  11          1HB       LYS  11 -10.069  -4.240   4.508
   80   1HG   LYS  11          2HG       LYS  11  -7.997  -5.130   6.106
   81   2HG   LYS  11          1HG       LYS  11  -9.217  -6.387   6.319
   82   1HD   LYS  11          2HD       LYS  11  -9.418  -6.117   3.669
   83   2HD   LYS  11          1HD       LYS  11  -7.751  -5.565   3.850
   84   1HE   LYS  11          2HE       LYS  11  -7.006  -7.622   4.608
   85   2HE   LYS  11          1HE       LYS  11  -8.576  -8.062   5.278
   86   1HZ   LYS  11          3HZ       LYS  11  -8.791  -7.700   2.489
   87   2HZ   LYS  11          2HZ       LYS  11  -7.528  -8.788   2.818
   88   3HZ   LYS  11          1HZ       LYS  11  -9.093  -9.094   3.406
   89    H    GLY  12           H        GLY  12  -9.027  -1.776   4.469
   90   1HA   GLY  12          2HA       GLY  12  -6.640  -0.593   5.118
   91   2HA   GLY  12          1HA       GLY  12  -6.135  -2.196   4.584
   92    H    LYS  13           H        LYS  13  -8.867  -0.360   3.326
   93    HA   LYS  13           HA       LYS  13  -8.923  -0.698   0.689
   94   1HB   LYS  13          2HB       LYS  13  -8.628   1.978   1.925
   95   2HB   LYS  13          1HB       LYS  13  -9.382   1.689   0.360
   96   1HG   LYS  13          2HG       LYS  13 -10.372   0.801   3.090
   97   2HG   LYS  13          1HG       LYS  13 -11.196   1.857   1.934
   98   1HD   LYS  13          2HD       LYS  13 -11.059  -0.159   0.310
   99   2HD   LYS  13          1HD       LYS  13 -10.726  -1.116   1.754
  100   1HE   LYS  13          2HE       LYS  13 -13.155   0.647   1.322
  101   2HE   LYS  13          1HE       LYS  13 -13.137  -1.115   1.265
  102   1HZ   LYS  13          1HZ       LYS  13 -12.410  -1.148   3.568
  103   2HZ   LYS  13          3HZ       LYS  13 -12.426   0.547   3.621
  104   3HZ   LYS  13          2HZ       LYS  13 -13.880  -0.309   3.416
  105    H    SER  14           H        SER  14  -7.974  -0.036  -1.208
  106    HA   SER  14           HA       SER  14  -6.039   0.093  -2.501
  107   1HB   SER  14          2HB       SER  14  -4.882   2.172  -0.681
  108   2HB   SER  14          1HB       SER  14  -4.990   2.172  -2.444
  109    HG   SER  14           HG       SER  14  -6.508   3.493  -0.845
  110    H    ILE  15           H        ILE  15  -6.348  -1.635  -0.471
  111    HA   ILE  15           HA       ILE  15  -4.015  -1.877   1.179
  112    HB   ILE  15           HB       ILE  15  -5.281  -4.407   0.760
  113   1HG1  ILE  15          2HG1      ILE  15  -7.568  -3.588   1.733
  114   2HG1  ILE  15          1HG1      ILE  15  -7.182  -2.084   0.959
  115   1HG2  ILE  15          2HG2      ILE  15  -4.681  -2.557   2.942
  116   2HG2  ILE  15          1HG2      ILE  15  -6.124  -3.531   3.225
  117   3HG2  ILE  15          3HG2      ILE  15  -4.580  -4.317   2.898
  118   1HD1  ILE  15          3HD1      ILE  15  -6.967  -4.670  -0.552
  119   2HD1  ILE  15          2HD1      ILE  15  -8.529  -3.874  -0.370
  120   3HD1  ILE  15          1HD1      ILE  15  -7.205  -3.043  -1.184
  121    H    GLN  16           H        GLN  16  -5.474  -3.663  -1.445
  122    HA   GLN  16           HA       GLN  16  -3.259  -5.205  -2.311
  123   1HB   GLN  16          2HB       GLN  16  -5.683  -4.027  -3.714
  124   2HB   GLN  16          1HB       GLN  16  -4.558  -5.135  -4.515
  125   1HG   GLN  16          2HG       GLN  16  -5.578  -6.009  -1.868
  126   2HG   GLN  16          1HG       GLN  16  -6.768  -5.960  -3.167
  127   1HE2  GLN  16          2HE2      GLN  16  -4.820  -9.256  -3.124
  128   2HE2  GLN  16          1HE2      GLN  16  -5.547  -8.383  -1.864
  129    H    ASP  17           H        ASP  17  -4.127  -1.872  -2.402
  130    HA   ASP  17           HA       ASP  17  -2.213  -1.230  -4.557
  131   1HB   ASP  17          2HB       ASP  17  -4.542  -0.016  -3.619
  132   2HB   ASP  17          1HB       ASP  17  -3.261   1.014  -2.982
  133    H    LEU  18           H        LEU  18  -2.551  -0.903  -1.008
  134    HA   LEU  18           HA       LEU  18  -0.215   0.586  -0.449
  135   1HB   LEU  18          2HB       LEU  18  -1.949  -1.221   0.995
  136   2HB   LEU  18          1HB       LEU  18  -0.268  -1.590   1.384
  137    HG   LEU  18           HG       LEU  18  -1.217   0.132   2.903
  138   1HD1  LEU  18          2HD1      LEU  18   1.175   0.352   1.285
  139   2HD1  LEU  18          1HD1      LEU  18   0.593   1.952   1.744
  140   3HD1  LEU  18          3HD1      LEU  18   0.945   0.753   2.987
  141   1HD2  LEU  18          2HD2      LEU  18  -2.036   1.252   0.320
  142   2HD2  LEU  18          1HD2      LEU  18  -2.671   1.576   1.933
  143   3HD2  LEU  18          3HD2      LEU  18  -1.245   2.438   1.358
  144    H    ARG  19           H        ARG  19  -0.767  -2.609  -1.603
  145    HA   ARG  19           HA       ARG  19   1.884  -3.690  -1.338
  146   1HB   ARG  19          2HB       ARG  19   0.258  -5.328  -1.695
  147   2HB   ARG  19          1HB       ARG  19  -0.676  -4.302  -2.764
  148   1HG   ARG  19          2HG       ARG  19   1.150  -4.570  -4.487
  149   2HG   ARG  19          1HG       ARG  19   1.862  -5.801  -3.440
  150   1HD   ARG  19          2HD       ARG  19  -0.565  -5.919  -5.126
  151   2HD   ARG  19          1HD       ARG  19   0.518  -7.215  -4.627
  152    HE   ARG  19           HE       ARG  19  -1.881  -6.306  -3.180
  153   1HH1  ARG  19          1HH1      ARG  19   1.246  -7.371  -2.459
  154   2HH1  ARG  19          2HH1      ARG  19   0.742  -8.678  -1.442
  155   1HH2  ARG  19          1HH2      ARG  19  -2.625  -8.296  -2.166
  156   2HH2  ARG  19          2HH2      ARG  19  -1.447  -9.203  -1.277
  157    H    ARG  20           H        ARG  20   0.060  -2.176  -4.014
  158    HA   ARG  20           HA       ARG  20   2.403  -2.088  -5.720
  159   1HB   ARG  20          2HB       ARG  20   1.006  -1.212  -7.342
  160   2HB   ARG  20          1HB       ARG  20  -0.155  -2.059  -6.321
  161   1HG   ARG  20          2HG       ARG  20  -1.263  -0.098  -6.157
  162   2HG   ARG  20          1HG       ARG  20   0.069   0.480  -5.157
  163   1HD   ARG  20          2HD       ARG  20   0.484   2.008  -6.766
  164   2HD   ARG  20          1HD       ARG  20   1.021   0.669  -7.783
  165    HE   ARG  20           HE       ARG  20  -1.367   0.531  -8.597
  166   1HH1  ARG  20          1HH1      ARG  20  -3.313   1.968  -7.753
  167   2HH1  ARG  20          2HH1      ARG  20  -3.095   3.633  -8.177
  168   1HH2  ARG  20          1HH2      ARG  20   0.287   3.290  -8.859
  169   2HH2  ARG  20          2HH2      ARG  20  -1.057   4.382  -8.802
  170    H    ARG  21           H        ARG  21   1.388  -0.355  -3.034
  171    HA   ARG  21           HA       ARG  21   2.613   2.210  -3.745
  172   1HB   ARG  21          2HB       ARG  21   1.278   0.991  -1.395
  173   2HB   ARG  21          1HB       ARG  21   2.583   2.103  -0.993
  174   1HG   ARG  21          2HG       ARG  21   1.541   3.915  -2.076
  175   2HG   ARG  21          1HG       ARG  21   0.470   2.858  -2.998
  176   1HD   ARG  21          2HD       ARG  21   0.245   2.591  -0.067
  177   2HD   ARG  21          1HD       ARG  21  -0.270   4.151  -0.710
  178    HE   ARG  21           HE       ARG  21  -1.469   1.518  -1.437
  179   1HH1  ARG  21          1HH1      ARG  21  -2.396   2.496  -3.673
  180   2HH1  ARG  21          2HH1      ARG  21  -3.548   3.746  -3.345
  181   1HH2  ARG  21          1HH2      ARG  21  -2.493   4.221  -0.080
  182   2HH2  ARG  21          2HH2      ARG  21  -3.599   4.728  -1.313
  183    H    PHE  22           H        PHE  22   3.349  -0.830  -2.236
  184    HA   PHE  22           HA       PHE  22   6.119  -0.071  -1.654
  185   1HB   PHE  22          2HB       PHE  22   4.686  -2.670  -1.305
  186   2HB   PHE  22          1HB       PHE  22   6.300  -2.305  -0.692
  187    HD1  PHE  22          1HD       PHE  22   3.212  -2.761   0.472
  188    HD2  PHE  22          2HD       PHE  22   6.108   0.390   0.205
  189    HE1  PHE  22          1HE       PHE  22   2.145  -1.617   2.386
  190    HE2  PHE  22          2HE       PHE  22   5.049   1.529   2.122
  191    HZ   PHE  22           HZ       PHE  22   3.076   0.518   3.179
  192    H    PHE  23           H        PHE  23   4.164  -1.665  -3.997
  193    HA   PHE  23           HA       PHE  23   5.304  -3.485  -5.475
  194   1HB   PHE  23          2HB       PHE  23   3.977  -1.099  -6.212
  195   2HB   PHE  23          1HB       PHE  23   5.308  -1.310  -7.334
  196    HD1  PHE  23          1HD       PHE  23   4.004  -1.784  -9.225
  197    HD2  PHE  23          2HD       PHE  23   3.578  -4.099  -5.636
  198    HE1  PHE  23          1HE       PHE  23   2.661  -3.447 -10.461
  199    HE2  PHE  23          2HE       PHE  23   2.239  -5.768  -6.879
  200    HZ   PHE  23           HZ       PHE  23   1.793  -5.408  -9.273
  201    H    LEU  24           H        LEU  24   6.632  -0.306  -6.345
  202    HA   LEU  24           HA       LEU  24   9.171  -1.536  -7.089
  203   1HB   LEU  24          2HB       LEU  24   8.009   1.226  -7.158
  204   2HB   LEU  24          1HB       LEU  24   9.761   1.045  -7.268
  205    HG   LEU  24           HG       LEU  24   9.387  -0.622  -9.128
  206   1HD1  LEU  24          1HD1      LEU  24   6.700  -0.347  -8.252
  207   2HD1  LEU  24          3HD1      LEU  24   6.778   0.330  -9.879
  208   3HD1  LEU  24          2HD1      LEU  24   7.301  -1.329  -9.587
  209   1HD2  LEU  24          3HD2      LEU  24   9.319   2.197  -9.156
  210   2HD2  LEU  24          2HD2      LEU  24   9.729   1.134 -10.503
  211   3HD2  LEU  24          1HD2      LEU  24   8.066   1.682 -10.286
  212    H    HIS  25           H        HIS  25   7.865   0.213  -4.333
  213    HA   HIS  25           HA       HIS  25  10.385   0.871  -3.110
  214   1HB   HIS  25          2HB       HIS  25   7.552   0.863  -2.353
  215   2HB   HIS  25          1HB       HIS  25   8.628   0.481  -1.005
  216    HD1  HIS  25          1HD       HIS  25   8.116   2.849   0.037
  217    HD2  HIS  25          2HD       HIS  25  10.000   2.972  -3.679
  218    HE1  HIS  25          1HE       HIS  25   8.950   5.221  -0.264
  219    H    HIS  26           H        HIS  26   8.611  -2.111  -3.394
  220    HA   HIS  26           HA       HIS  26   9.981  -3.394  -1.170
  221   1HB   HIS  26          2HB       HIS  26   7.599  -3.860  -2.333
  222   2HB   HIS  26          1HB       HIS  26   8.610  -5.042  -3.163
  223    HD1  HIS  26          1HD       HIS  26   9.106  -3.905   0.389
  224    HD2  HIS  26          2HD       HIS  26   7.920  -7.315  -1.685
  225    HE1  HIS  26          1HE       HIS  26   9.012  -5.765   2.084
  226    H    LEU  27           H        LEU  27   9.712  -4.513  -4.534
  227    HA   LEU  27           HA       LEU  27  11.982  -6.118  -4.571
  228   1HB   LEU  27          2HB       LEU  27  11.310  -4.398  -6.953
  229   2HB   LEU  27          1HB       LEU  27  11.867  -6.070  -6.923
  230    HG   LEU  27           HG       LEU  27   9.129  -4.995  -6.246
  231   1HD1  LEU  27          3HD1      LEU  27  10.325  -6.313  -8.469
  232   2HD1  LEU  27          2HD1      LEU  27   9.202  -7.451  -7.725
  233   3HD1  LEU  27          1HD1      LEU  27   8.633  -5.869  -8.256
  234   1HD2  LEU  27          1HD2      LEU  27  10.521  -7.430  -5.220
  235   2HD2  LEU  27          3HD2      LEU  27   9.263  -6.453  -4.462
  236   3HD2  LEU  27          2HD2      LEU  27   8.840  -7.613  -5.722
  237    H    ILE  28           H        ILE  28  11.987  -2.819  -5.975
  238    HA   ILE  28           HA       ILE  28  14.862  -2.645  -5.900
  239    HB   ILE  28           HB       ILE  28  12.726  -0.509  -6.155
  240   1HG1  ILE  28          2HG1      ILE  28  14.614  -1.535  -8.276
  241   2HG1  ILE  28          1HG1      ILE  28  13.083  -2.346  -7.950
  242   1HG2  ILE  28          1HG2      ILE  28  15.741  -0.356  -6.436
  243   2HG2  ILE  28          3HG2      ILE  28  14.637   0.888  -7.023
  244   3HG2  ILE  28          2HG2      ILE  28  14.734   0.538  -5.297
  245   1HD1  ILE  28          2HD1      ILE  28  12.636   0.493  -8.120
  246   2HD1  ILE  28          1HD1      ILE  28  13.506  -0.048  -9.556
  247   3HD1  ILE  28          3HD1      ILE  28  11.964  -0.789  -9.127
  248    H    ALA  29           H        ALA  29  13.028  -0.086  -4.357
  249    HA   ALA  29           HA       ALA  29  14.834   0.281  -2.244
  250   1HB   ALA  29          3HB       ALA  29  12.210   1.264  -2.982
  251   2HB   ALA  29          2HB       ALA  29  12.322   1.037  -1.237
  252   3HB   ALA  29          1HB       ALA  29  13.481   2.074  -2.067
  253    H    GLU  30           H        GLU  30  14.207  -0.046   0.156
  254    HA   GLU  30           HA       GLU  30  12.558  -2.420   0.694
  255   1HB   GLU  30          2HB       GLU  30  14.516  -3.537   1.899
  256   2HB   GLU  30          1HB       GLU  30  14.582  -3.575   0.134
  257   1HG   GLU  30          2HG       GLU  30  15.898  -1.308   0.436
  258   2HG   GLU  30          1HG       GLU  30  16.204  -1.941   2.058
  259    H    ILE  31           H        ILE  31  11.375  -1.041   2.080
  260    HA   ILE  31           HA       ILE  31  12.889   0.130   4.371
  261    HB   ILE  31           HB       ILE  31  10.011   0.726   3.890
  262   1HG1  ILE  31          2HG1      ILE  31  10.882   0.927   1.641
  263   2HG1  ILE  31          1HG1      ILE  31  10.721   2.556   2.299
  264   1HG2  ILE  31          1HG2      ILE  31  11.705   1.605   5.739
  265   2HG2  ILE  31          3HG2      ILE  31  12.157   2.735   4.462
  266   3HG2  ILE  31          2HG2      ILE  31  10.493   2.682   5.044
  267   1HD1  ILE  31          2HD1      ILE  31  13.301   1.532   3.020
  268   2HD1  ILE  31          1HD1      ILE  31  13.072   1.311   1.285
  269   3HD1  ILE  31          3HD1      ILE  31  12.919   2.917   1.998
  270    H    HIS  32           H        HIS  32  12.441  -2.605   4.392
  271    HA   HIS  32           HA       HIS  32  10.098  -3.540   5.618
  272   1HB   HIS  32          2HB       HIS  32  12.350  -4.748   4.821
  273   2HB   HIS  32          1HB       HIS  32  12.702  -4.659   6.550
  274    HD1  HIS  32          1HD       HIS  32  12.139  -6.903   7.484
  275    HD2  HIS  32          2HD       HIS  32   9.229  -5.584   4.806
  276    HE1  HIS  32          1HE       HIS  32  10.288  -8.632   7.529
  277    H    THR  33           H        THR  33   9.525  -1.756   7.090
  278    HA   THR  33           HA       THR  33  10.925  -2.029   9.714
  279    HB   THR  33           HB       THR  33   9.936   0.554   8.466
  280    HG1  THR  33          1HG       THR  33  11.870   0.141   7.593
  281   1HG2  THR  33          3HG2      THR  33   9.835   0.052  11.077
  282   2HG2  THR  33          2HG2      THR  33  11.557   0.421  10.971
  283   3HG2  THR  33          1HG2      THR  33  10.365   1.619  10.469
  284    H    ALA  34           H        ALA  34   8.998  -3.578   9.857
  285    HA   ALA  34           HA       ALA  34   6.362  -2.315  10.114
  286   1HB   ALA  34          3HB       ALA  34   7.184  -4.862   9.509
  287   2HB   ALA  34          2HB       ALA  34   6.724  -5.033  11.204
  288   3HB   ALA  34          1HB       ALA  34   5.552  -4.440  10.027
   
  No H/Q in entry =         288
  Start of MODEL   17
    1   1H    ALA   1          2HT       ALA   1 -31.782  -0.582   2.720
    2   2H    ALA   1          1HT       ALA   1 -32.006   0.467   1.401
    3   3H    ALA   1          3HT       ALA   1 -33.260   0.229   2.520
    4    HA   ALA   1           HA       ALA   1 -33.502  -2.061   1.846
    5   1HB   ALA   1          2HB       ALA   1 -34.273   0.157   0.412
    6   2HB   ALA   1          1HB       ALA   1 -33.433  -0.792  -0.814
    7   3HB   ALA   1          3HB       ALA   1 -34.794  -1.491   0.064
    8    H    VAL   2           H        VAL   2 -31.207  -0.397  -0.348
    9    HA   VAL   2           HA       VAL   2 -30.218  -2.541  -1.767
   10    HB   VAL   2           HB       VAL   2 -29.476  -0.097  -1.888
   11   1HG1  VAL   2          3HG1      VAL   2 -27.643  -1.091   0.317
   12   2HG1  VAL   2          2HG1      VAL   2 -27.425   0.423  -0.562
   13   3HG1  VAL   2          1HG1      VAL   2 -28.846   0.192   0.457
   14   1HG2  VAL   2          2HG2      VAL   2 -28.453  -2.001  -3.175
   15   2HG2  VAL   2          1HG2      VAL   2 -27.320  -0.692  -2.833
   16   3HG2  VAL   2          3HG2      VAL   2 -27.267  -2.177  -1.882
   17    H    SER   3           H        SER   3 -28.216  -3.851  -1.441
   18    HA   SER   3           HA       SER   3 -28.275  -5.329   0.983
   19   1HB   SER   3          2HB       SER   3 -26.678  -6.628  -0.005
   20   2HB   SER   3          1HB       SER   3 -27.060  -5.669  -1.437
   21    HG   SER   3           HG       SER   3 -24.789  -5.766   0.017
   22    H    GLU   4           H        GLU   4 -27.524  -4.791   2.977
   23    HA   GLU   4           HA       GLU   4 -26.082  -2.316   3.412
   24   1HB   GLU   4          2HB       GLU   4 -27.729  -3.606   4.979
   25   2HB   GLU   4          1HB       GLU   4 -26.300  -4.520   5.446
   26   1HG   GLU   4          2HG       GLU   4 -25.469  -2.794   6.656
   27   2HG   GLU   4          1HG       GLU   4 -25.826  -1.629   5.381
   28    H    HIS   5           H        HIS   5 -25.203  -5.665   2.986
   29    HA   HIS   5           HA       HIS   5 -22.747  -5.927   4.179
   30   1HB   HIS   5          2HB       HIS   5 -24.057  -7.074   1.920
   31   2HB   HIS   5          1HB       HIS   5 -22.348  -6.847   1.554
   32    HD1  HIS   5          1HD       HIS   5 -20.656  -7.845   3.448
   33    HD2  HIS   5          2HD       HIS   5 -24.582  -9.236   3.538
   34    HE1  HIS   5          1HE       HIS   5 -20.636  -9.951   4.856
   35    H    GLN   6           H        GLN   6 -23.531  -3.825   1.492
   36    HA   GLN   6           HA       GLN   6 -21.102  -3.242   0.352
   37   1HB   GLN   6          2HB       GLN   6 -23.516  -1.742   0.882
   38   2HB   GLN   6          1HB       GLN   6 -22.091  -0.712   0.822
   39   1HG   GLN   6          2HG       GLN   6 -21.473  -1.813  -1.347
   40   2HG   GLN   6          1HG       GLN   6 -23.018  -2.663  -1.303
   41   1HE2  GLN   6          2HE2      GLN   6 -23.079   1.423  -1.845
   42   2HE2  GLN   6          1HE2      GLN   6 -21.795   0.723  -0.969
   43    H    LEU   7           H        LEU   7 -19.441  -1.616   0.869
   44    HA   LEU   7           HA       LEU   7 -18.016  -0.447   2.345
   45   1HB   LEU   7          2HB       LEU   7 -20.554  -0.272   3.591
   46   2HB   LEU   7          1HB       LEU   7 -19.420  -0.780   4.842
   47    HG   LEU   7           HG       LEU   7 -18.486   1.378   3.025
   48   1HD1  LEU   7          1HD1      LEU   7 -21.036   1.671   3.888
   49   2HD1  LEU   7          3HD1      LEU   7 -20.172   2.291   5.295
   50   3HD1  LEU   7          2HD1      LEU   7 -19.922   3.027   3.711
   51   1HD2  LEU   7          3HD2      LEU   7 -18.319   0.688   5.963
   52   2HD2  LEU   7          2HD2      LEU   7 -17.012   0.751   4.781
   53   3HD2  LEU   7          1HD2      LEU   7 -17.763   2.244   5.345
   54    H    LEU   8           H        LEU   8 -19.619  -3.277   3.915
   55    HA   LEU   8           HA       LEU   8 -17.396  -3.981   5.477
   56   1HB   LEU   8          2HB       LEU   8 -19.472  -4.842   6.134
   57   2HB   LEU   8          1HB       LEU   8 -19.820  -5.405   4.505
   58    HG   LEU   8           HG       LEU   8 -18.142  -7.111   4.652
   59   1HD1  LEU   8          2HD1      LEU   8 -17.099  -5.346   6.618
   60   2HD1  LEU   8          1HD1      LEU   8 -17.380  -6.897   7.408
   61   3HD1  LEU   8          3HD1      LEU   8 -16.349  -6.809   5.981
   62   1HD2  LEU   8          2HD2      LEU   8 -20.305  -6.881   6.598
   63   2HD2  LEU   8          1HD2      LEU   8 -19.809  -8.280   5.647
   64   3HD2  LEU   8          3HD2      LEU   8 -19.009  -7.926   7.178
   65    H    HIS   9           H        HIS   9 -17.830  -4.152   2.128
   66    HA   HIS   9           HA       HIS   9 -16.313  -6.560   1.702
   67   1HB   HIS   9          2HB       HIS   9 -17.176  -4.374  -0.161
   68   2HB   HIS   9          1HB       HIS   9 -16.385  -5.862  -0.712
   69    HD1  HIS   9          1HD       HIS   9 -18.396  -7.129  -1.739
   70    HD2  HIS   9          2HD       HIS   9 -19.086  -5.508   2.002
   71    HE1  HIS   9          1HE       HIS   9 -20.671  -8.002  -1.019
   72    H    ASP  10           H        ASP  10 -15.832  -3.210   1.865
   73    HA   ASP  10           HA       ASP  10 -13.421  -2.600   0.786
   74   1HB   ASP  10          2HB       ASP  10 -14.663  -1.016   1.997
   75   2HB   ASP  10          1HB       ASP  10 -14.667  -2.007   3.454
   76    H    LYS  11           H        LYS  11 -11.986  -4.435   0.725
   77    HA   LYS  11           HA       LYS  11 -11.210  -5.882   3.067
   78   1HB   LYS  11          2HB       LYS  11 -10.952  -6.711   0.704
   79   2HB   LYS  11          1HB       LYS  11  -9.634  -5.551   0.502
   80   1HG   LYS  11          2HG       LYS  11  -8.956  -6.811   2.861
   81   2HG   LYS  11          1HG       LYS  11  -9.661  -8.124   1.921
   82   1HD   LYS  11          2HD       LYS  11  -7.591  -6.247   0.769
   83   2HD   LYS  11          1HD       LYS  11  -7.153  -7.739   1.600
   84   1HE   LYS  11          2HE       LYS  11  -9.118  -7.683  -0.696
   85   2HE   LYS  11          1HE       LYS  11  -7.385  -7.906  -0.940
   86   1HZ   LYS  11          1HZ       LYS  11  -8.709  -9.582   1.057
   87   2HZ   LYS  11          3HZ       LYS  11  -9.002  -9.931  -0.576
   88   3HZ   LYS  11          2HZ       LYS  11  -7.412  -9.945   0.021
   89    H    GLY  12           H        GLY  12 -10.611  -2.719   2.195
   90   1HA   GLY  12          2HA       GLY  12  -9.191  -1.708   4.168
   91   2HA   GLY  12          1HA       GLY  12  -7.908  -2.658   3.418
   92    H    LYS  13           H        LYS  13  -9.778  -1.792   0.889
   93    HA   LYS  13           HA       LYS  13  -9.493  -0.275  -0.855
   94   1HB   LYS  13          2HB       LYS  13  -9.367   1.208   1.664
   95   2HB   LYS  13          1HB       LYS  13  -9.345   2.093   0.130
   96   1HG   LYS  13          2HG       LYS  13 -11.489   0.140   1.065
   97   2HG   LYS  13          1HG       LYS  13 -11.667   1.891   0.967
   98   1HD   LYS  13          2HD       LYS  13 -10.959   1.564  -1.535
   99   2HD   LYS  13          1HD       LYS  13 -11.441  -0.112  -1.263
  100   1HE   LYS  13          2HE       LYS  13 -13.660   0.412  -1.110
  101   2HE   LYS  13          1HE       LYS  13 -13.347   1.941  -0.289
  102   1HZ   LYS  13          2HZ       LYS  13 -12.913   1.422  -3.181
  103   2HZ   LYS  13          1HZ       LYS  13 -14.228   2.274  -2.522
  104   3HZ   LYS  13          3HZ       LYS  13 -12.658   2.901  -2.384
  105    H    SER  14           H        SER  14  -7.878   0.208  -2.174
  106    HA   SER  14           HA       SER  14  -5.632   0.199  -2.816
  107   1HB   SER  14          2HB       SER  14  -4.968   2.261  -0.793
  108   2HB   SER  14          1HB       SER  14  -4.731   2.283  -2.543
  109    HG   SER  14           HG       SER  14  -6.620   3.199  -2.772
  110    H    ILE  15           H        ILE  15  -6.352  -1.608  -1.000
  111    HA   ILE  15           HA       ILE  15  -4.278  -1.793   1.054
  112    HB   ILE  15           HB       ILE  15  -5.610  -4.273   0.640
  113   1HG1  ILE  15          2HG1      ILE  15  -7.945  -3.241   1.284
  114   2HG1  ILE  15          1HG1      ILE  15  -7.344  -1.858   0.436
  115   1HG2  ILE  15          1HG2      ILE  15  -4.674  -3.235   2.761
  116   2HG2  ILE  15          3HG2      ILE  15  -6.135  -2.250   2.819
  117   3HG2  ILE  15          2HG2      ILE  15  -6.251  -4.007   2.933
  118   1HD1  ILE  15          2HD1      ILE  15  -6.914  -4.397  -0.973
  119   2HD1  ILE  15          1HD1      ILE  15  -8.611  -3.976  -0.750
  120   3HD1  ILE  15          3HD1      ILE  15  -7.530  -2.865  -1.590
  121    H    GLN  16           H        GLN  16  -5.527  -3.465  -1.744
  122    HA   GLN  16           HA       GLN  16  -3.284  -5.161  -2.303
  123   1HB   GLN  16          2HB       GLN  16  -5.475  -3.944  -4.033
  124   2HB   GLN  16          1HB       GLN  16  -4.323  -5.150  -4.624
  125   1HG   GLN  16          2HG       GLN  16  -5.272  -6.282  -2.273
  126   2HG   GLN  16          1HG       GLN  16  -6.706  -5.507  -2.952
  127   1HE2  GLN  16          2HE2      GLN  16  -6.621  -8.833  -4.539
  128   2HE2  GLN  16          1HE2      GLN  16  -6.952  -8.180  -3.008
  129    H    ASP  17           H        ASP  17  -4.113  -1.825  -2.616
  130    HA   ASP  17           HA       ASP  17  -1.904  -1.281  -4.510
  131   1HB   ASP  17          2HB       ASP  17  -3.805   0.621  -3.084
  132   2HB   ASP  17          1HB       ASP  17  -2.662   1.072  -4.348
  133    H    LEU  18           H        LEU  18  -2.750  -0.892  -1.076
  134    HA   LEU  18           HA       LEU  18  -0.550   0.679  -0.228
  135   1HB   LEU  18          2HB       LEU  18  -2.188   0.007   1.423
  136   2HB   LEU  18          1HB       LEU  18  -1.926  -1.700   1.071
  137    HG   LEU  18           HG       LEU  18   0.564  -1.131   1.764
  138   1HD1  LEU  18          3HD1      LEU  18  -1.095   1.029   3.085
  139   2HD1  LEU  18          2HD1      LEU  18   0.501   0.546   3.657
  140   3HD1  LEU  18          1HD1      LEU  18   0.317   1.248   2.050
  141   1HD2  LEU  18          1HD2      LEU  18  -1.779  -1.505   3.645
  142   2HD2  LEU  18          3HD2      LEU  18  -0.753  -2.760   2.950
  143   3HD2  LEU  18          2HD2      LEU  18  -0.098  -1.653   4.156
  144    H    ARG  19           H        ARG  19  -0.880  -2.521  -1.425
  145    HA   ARG  19           HA       ARG  19   1.776  -3.497  -0.814
  146   1HB   ARG  19          2HB       ARG  19   0.196  -5.194  -1.166
  147   2HB   ARG  19          1HB       ARG  19  -0.614  -4.302  -2.438
  148   1HG   ARG  19          2HG       ARG  19   1.396  -4.670  -3.901
  149   2HG   ARG  19          1HG       ARG  19   2.036  -5.749  -2.657
  150   1HD   ARG  19          2HD       ARG  19  -0.247  -6.136  -4.526
  151   2HD   ARG  19          1HD       ARG  19   0.904  -7.318  -3.903
  152    HE   ARG  19           HE       ARG  19  -1.566  -6.416  -2.526
  153   1HH1  ARG  19          1HH1      ARG  19  -2.071  -8.967  -2.417
  154   2HH1  ARG  19          2HH1      ARG  19  -1.068  -9.728  -1.228
  155   1HH2  ARG  19          1HH2      ARG  19   1.194  -7.106  -1.070
  156   2HH2  ARG  19          2HH2      ARG  19   0.777  -8.674  -0.462
  157    H    ARG  20           H        ARG  20   0.139  -2.464  -3.839
  158    HA   ARG  20           HA       ARG  20   2.567  -2.414  -5.324
  159   1HB   ARG  20          2HB       ARG  20   1.347  -1.458  -7.088
  160   2HB   ARG  20          1HB       ARG  20   0.162  -2.422  -6.203
  161   1HG   ARG  20          2HG       ARG  20  -0.244  -0.186  -4.883
  162   2HG   ARG  20          1HG       ARG  20   0.479   0.561  -6.305
  163   1HD   ARG  20          2HD       ARG  20  -1.610  -1.507  -6.781
  164   2HD   ARG  20          1HD       ARG  20  -2.153   0.050  -6.151
  165    HE   ARG  20           HE       ARG  20  -0.744  -0.344  -8.751
  166   1HH1  ARG  20          1HH1      ARG  20  -3.634   0.695  -7.872
  167   2HH1  ARG  20          2HH1      ARG  20  -3.480   2.344  -8.380
  168   1HH2  ARG  20          1HH2      ARG  20  -0.045   2.163  -8.821
  169   2HH2  ARG  20          2HH2      ARG  20  -1.446   3.178  -8.912
  170    H    ARG  21           H        ARG  21   1.127  -0.177  -3.114
  171    HA   ARG  21           HA       ARG  21   2.611   2.159  -3.903
  172   1HB   ARG  21          2HB       ARG  21   1.087   1.244  -1.535
  173   2HB   ARG  21          1HB       ARG  21   2.427   2.322  -1.146
  174   1HG   ARG  21          2HG       ARG  21   0.771   3.883  -1.563
  175   2HG   ARG  21          1HG       ARG  21   1.450   3.717  -3.183
  176   1HD   ARG  21          2HD       ARG  21  -0.874   3.488  -3.533
  177   2HD   ARG  21          1HD       ARG  21  -0.294   1.823  -3.498
  178    HE   ARG  21           HE       ARG  21  -1.560   1.507  -1.540
  179   1HH1  ARG  21          1HH1      ARG  21  -3.313   3.791  -2.343
  180   2HH1  ARG  21          2HH1      ARG  21  -3.265   4.799  -0.936
  181   1HH2  ARG  21          1HH2      ARG  21  -0.457   3.254   0.392
  182   2HH2  ARG  21          2HH2      ARG  21  -1.642   4.498   0.612
  183    H    PHE  22           H        PHE  22   3.248  -0.777  -2.167
  184    HA   PHE  22           HA       PHE  22   5.995   0.052  -1.521
  185   1HB   PHE  22          2HB       PHE  22   4.564  -2.495  -0.907
  186   2HB   PHE  22          1HB       PHE  22   6.127  -2.008  -0.254
  187    HD1  PHE  22          1HD       PHE  22   5.496   0.939  -0.010
  188    HD2  PHE  22          2HD       PHE  22   3.300  -2.577   1.100
  189    HE1  PHE  22          1HE       PHE  22   4.280   2.241   1.687
  190    HE2  PHE  22          2HE       PHE  22   2.089  -1.268   2.811
  191    HZ   PHE  22           HZ       PHE  22   2.592   1.127   3.065
  192    H    PHE  23           H        PHE  23   4.132  -1.824  -3.749
  193    HA   PHE  23           HA       PHE  23   5.516  -3.835  -4.843
  194   1HB   PHE  23          2HB       PHE  23   4.022  -1.684  -6.086
  195   2HB   PHE  23          1HB       PHE  23   5.310  -2.250  -7.135
  196    HD1  PHE  23          1HD       PHE  23   3.914  -3.276  -8.747
  197    HD2  PHE  23          2HD       PHE  23   3.684  -4.355  -4.600
  198    HE1  PHE  23          1HE       PHE  23   2.535  -5.240  -9.338
  199    HE2  PHE  23          2HE       PHE  23   2.307  -6.325  -5.192
  200    HZ   PHE  23           HZ       PHE  23   1.746  -6.735  -7.555
  201    H    LEU  24           H        LEU  24   6.347  -0.800  -6.436
  202    HA   LEU  24           HA       LEU  24   8.952  -1.565  -7.198
  203   1HB   LEU  24          2HB       LEU  24   7.947   1.237  -6.600
  204   2HB   LEU  24          1HB       LEU  24   9.361   0.833  -7.574
  205    HG   LEU  24           HG       LEU  24   7.212  -0.694  -8.610
  206   1HD1  LEU  24          1HD1      LEU  24   6.504   2.229  -8.207
  207   2HD1  LEU  24          3HD1      LEU  24   5.603   1.087  -9.206
  208   3HD1  LEU  24          2HD1      LEU  24   5.684   0.858  -7.459
  209   1HD2  LEU  24          2HD2      LEU  24   8.696   1.774  -9.557
  210   2HD2  LEU  24          1HD2      LEU  24   9.026   0.093  -9.978
  211   3HD2  LEU  24          3HD2      LEU  24   7.567   0.882 -10.577
  212    H    HIS  25           H        HIS  25   7.893   0.297  -4.320
  213    HA   HIS  25           HA       HIS  25  10.403   0.839  -3.195
  214   1HB   HIS  25          2HB       HIS  25   7.741   0.899  -2.301
  215   2HB   HIS  25          1HB       HIS  25   8.581  -0.152  -1.155
  216    HD1  HIS  25          1HD       HIS  25   9.137   1.328   0.795
  217    HD2  HIS  25          2HD       HIS  25   9.989   3.166  -2.847
  218    HE1  HIS  25          1HE       HIS  25  10.281   3.519   1.351
  219    H    HIS  26           H        HIS  26   8.576  -2.174  -3.179
  220    HA   HIS  26           HA       HIS  26  10.292  -3.650  -1.446
  221   1HB   HIS  26          2HB       HIS  26   7.892  -4.151  -2.481
  222   2HB   HIS  26          1HB       HIS  26   8.893  -5.034  -3.635
  223    HD1  HIS  26          1HD       HIS  26   9.547  -4.585   0.053
  224    HD2  HIS  26          2HD       HIS  26   8.701  -7.633  -2.657
  225    HE1  HIS  26          1HE       HIS  26   9.827  -6.745   1.311
  226    H    LEU  27           H        LEU  27   9.899  -4.144  -4.943
  227    HA   LEU  27           HA       LEU  27  12.043  -5.690  -5.566
  228   1HB   LEU  27          2HB       LEU  27  11.125  -3.218  -7.052
  229   2HB   LEU  27          1HB       LEU  27  12.226  -4.417  -7.730
  230    HG   LEU  27           HG       LEU  27   9.498  -5.117  -6.625
  231   1HD1  LEU  27          3HD1      LEU  27  10.291  -3.928  -9.196
  232   2HD1  LEU  27          2HD1      LEU  27   9.356  -5.413  -9.359
  233   3HD1  LEU  27          1HD1      LEU  27   8.693  -4.049  -8.459
  234   1HD2  LEU  27          1HD2      LEU  27  11.498  -6.565  -8.389
  235   2HD2  LEU  27          3HD2      LEU  27  11.078  -6.975  -6.725
  236   3HD2  LEU  27          2HD2      LEU  27   9.884  -7.165  -8.009
  237    H    ILE  28           H        ILE  28  12.258  -2.312  -4.576
  238    HA   ILE  28           HA       ILE  28  15.223  -2.478  -4.911
  239    HB   ILE  28           HB       ILE  28  14.792   0.123  -4.248
  240   1HG1  ILE  28          2HG1      ILE  28  12.401  -0.675  -5.934
  241   2HG1  ILE  28          1HG1      ILE  28  12.304  -0.325  -4.208
  242   1HG2  ILE  28          2HG2      ILE  28  15.369  -1.412  -6.602
  243   2HG2  ILE  28          1HG2      ILE  28  14.331  -0.058  -7.050
  244   3HG2  ILE  28          3HG2      ILE  28  15.860   0.238  -6.222
  245   1HD1  ILE  28          3HD1      ILE  28  13.720   1.840  -5.219
  246   2HD1  ILE  28          2HD1      ILE  28  12.513   1.524  -6.466
  247   3HD1  ILE  28          1HD1      ILE  28  12.004   1.835  -4.806
  248    H    ALA  29           H        ALA  29  13.532  -0.308  -2.711
  249    HA   ALA  29           HA       ALA  29  15.251  -0.789  -0.541
  250   1HB   ALA  29          2HB       ALA  29  12.657   0.542  -0.945
  251   2HB   ALA  29          1HB       ALA  29  12.910  -0.059   0.694
  252   3HB   ALA  29          3HB       ALA  29  14.061   1.072  -0.017
  253    H    GLU  30           H        GLU  30  15.462  -2.556   0.746
  254    HA   GLU  30           HA       GLU  30  13.231  -3.982   1.842
  255   1HB   GLU  30          2HB       GLU  30  14.034  -6.210   0.616
  256   2HB   GLU  30          1HB       GLU  30  12.802  -5.165  -0.098
  257   1HG   GLU  30          2HG       GLU  30  14.155  -4.536  -1.802
  258   2HG   GLU  30          1HG       GLU  30  15.557  -4.355  -0.742
  259    H    ILE  31           H        ILE  31  13.921  -5.215   3.572
  260    HA   ILE  31           HA       ILE  31  15.414  -5.962   5.217
  261    HB   ILE  31           HB       ILE  31  17.500  -6.445   3.140
  262   1HG1  ILE  31          2HG1      ILE  31  15.295  -6.968   2.053
  263   2HG1  ILE  31          1HG1      ILE  31  16.304  -8.395   2.287
  264   1HG2  ILE  31          1HG2      ILE  31  16.340  -8.053   5.431
  265   2HG2  ILE  31          3HG2      ILE  31  17.673  -8.581   4.404
  266   3HG2  ILE  31          2HG2      ILE  31  17.867  -7.170   5.445
  267   1HD1  ILE  31          2HD1      ILE  31  14.468  -7.691   4.517
  268   2HD1  ILE  31          1HD1      ILE  31  13.718  -8.311   3.046
  269   3HD1  ILE  31          3HD1      ILE  31  14.927  -9.276   3.895
  270    H    HIS  32           H        HIS  32  16.216  -4.372   6.466
  271    HA   HIS  32           HA       HIS  32  17.836  -2.232   5.391
  272   1HB   HIS  32          2HB       HIS  32  17.168  -2.914   8.266
  273   2HB   HIS  32          1HB       HIS  32  17.889  -1.400   7.707
  274    HD1  HIS  32          1HD       HIS  32  16.145  -0.986   5.164
  275    HD2  HIS  32          2HD       HIS  32  14.614  -1.970   8.914
  276    HE1  HIS  32          1HE       HIS  32  13.727  -0.233   5.170
  277    H    THR  33           H        THR  33  19.763  -3.211   4.637
  278    HA   THR  33           HA       THR  33  21.302  -5.075   6.191
  279    HB   THR  33           HB       THR  33  23.167  -3.895   4.590
  280    HG1  THR  33          1HG       THR  33  22.247  -2.738   3.119
  281   1HG2  THR  33          3HG2      THR  33  21.044  -5.930   3.878
  282   2HG2  THR  33          2HG2      THR  33  22.467  -5.617   2.886
  283   3HG2  THR  33          1HG2      THR  33  22.656  -6.248   4.522
  284    H    ALA  34           H        ALA  34  22.296  -4.600   8.086
  285    HA   ALA  34           HA       ALA  34  23.589  -1.921   8.350
  286   1HB   ALA  34          3HB       ALA  34  21.467  -3.103  10.002
  287   2HB   ALA  34          2HB       ALA  34  22.862  -2.564  10.937
  288   3HB   ALA  34          1HB       ALA  34  22.004  -1.427   9.897
   
  No H/Q in entry =         288
  Start of MODEL   18
    1   1H    ALA   1          1HT       ALA   1 -25.184  -0.268   7.852
    2   2H    ALA   1          3HT       ALA   1 -26.612   0.393   8.485
    3   3H    ALA   1          2HT       ALA   1 -25.186   1.317   8.465
    4    HA   ALA   1           HA       ALA   1 -25.078   0.665  10.611
    5   1HB   ALA   1          1HB       ALA   1 -27.301  -0.661  10.111
    6   2HB   ALA   1          3HB       ALA   1 -26.223  -2.056  10.065
    7   3HB   ALA   1          2HB       ALA   1 -26.332  -1.075  11.526
    8    H    VAL   2           H        VAL   2 -24.146  -1.673  11.685
    9    HA   VAL   2           HA       VAL   2 -21.487  -1.844  11.012
   10    HB   VAL   2           HB       VAL   2 -22.587  -3.036  12.924
   11   1HG1  VAL   2          2HG1      VAL   2 -23.328  -4.991  10.726
   12   2HG1  VAL   2          1HG1      VAL   2 -23.492  -5.308  12.452
   13   3HG1  VAL   2          3HG1      VAL   2 -24.450  -4.037  11.695
   14   1HG2  VAL   2          2HG2      VAL   2 -20.284  -3.671  11.564
   15   2HG2  VAL   2          1HG2      VAL   2 -20.766  -4.392  13.101
   16   3HG2  VAL   2          3HG2      VAL   2 -21.124  -5.222  11.587
   17    H    SER   3           H        SER   3 -24.172  -3.296   9.296
   18    HA   SER   3           HA       SER   3 -24.232  -4.682   7.395
   19   1HB   SER   3          2HB       SER   3 -23.589  -3.426   5.597
   20   2HB   SER   3          1HB       SER   3 -23.369  -2.199   6.847
   21    HG   SER   3           HG       SER   3 -21.350  -2.209   6.292
   22    H    GLU   4           H        GLU   4 -23.488  -6.738   7.814
   23    HA   GLU   4           HA       GLU   4 -21.000  -7.646   8.598
   24   1HB   GLU   4          2HB       GLU   4 -23.013  -9.075   8.142
   25   2HB   GLU   4          1HB       GLU   4 -22.660  -8.949   6.423
   26   1HG   GLU   4          2HG       GLU   4 -20.842 -10.339   6.556
   27   2HG   GLU   4          1HG       GLU   4 -20.408  -9.785   8.174
   28    H    HIS   5           H        HIS   5 -21.955  -6.565   5.377
   29    HA   HIS   5           HA       HIS   5 -19.815  -7.460   3.852
   30   1HB   HIS   5          2HB       HIS   5 -21.766  -5.359   3.658
   31   2HB   HIS   5          1HB       HIS   5 -20.217  -4.836   2.996
   32    HD1  HIS   5          1HD       HIS   5 -19.125  -6.609   1.210
   33    HD2  HIS   5          2HD       HIS   5 -23.202  -6.996   1.978
   34    HE1  HIS   5          1HE       HIS   5 -20.081  -7.998  -0.682
   35    H    GLN   6           H        GLN   6 -19.727  -5.189   6.456
   36    HA   GLN   6           HA       GLN   6 -17.540  -3.594   5.849
   37   1HB   GLN   6          2HB       GLN   6 -18.818  -4.515   8.237
   38   2HB   GLN   6          1HB       GLN   6 -17.068  -4.511   8.459
   39   1HG   GLN   6          2HG       GLN   6 -16.998  -2.181   7.581
   40   2HG   GLN   6          1HG       GLN   6 -18.759  -2.191   7.487
   41   1HE2  GLN   6          2HE2      GLN   6 -17.386  -2.649  11.323
   42   2HE2  GLN   6          1HE2      GLN   6 -16.803  -3.672  10.094
   43    H    LEU   7           H        LEU   7 -15.186  -4.020   6.698
   44    HA   LEU   7           HA       LEU   7 -13.255  -5.367   6.608
   45   1HB   LEU   7          2HB       LEU   7 -15.350  -7.164   7.481
   46   2HB   LEU   7          1HB       LEU   7 -14.286  -8.002   6.351
   47    HG   LEU   7           HG       LEU   7 -13.048  -6.320   8.496
   48   1HD1  LEU   7          3HD1      LEU   7 -14.845  -7.800   9.535
   49   2HD1  LEU   7          2HD1      LEU   7 -13.914  -9.183   8.961
   50   3HD1  LEU   7          1HD1      LEU   7 -13.207  -8.066  10.128
   51   1HD2  LEU   7          3HD2      LEU   7 -12.357  -8.797   6.911
   52   2HD2  LEU   7          2HD2      LEU   7 -11.499  -7.258   6.967
   53   3HD2  LEU   7          1HD2      LEU   7 -11.446  -8.348   8.352
   54    H    LEU   8           H        LEU   8 -15.743  -7.190   4.698
   55    HA   LEU   8           HA       LEU   8 -14.053  -7.608   2.489
   56   1HB   LEU   8          2HB       LEU   8 -16.013  -8.915   2.587
   57   2HB   LEU   8          1HB       LEU   8 -17.007  -7.494   2.887
   58    HG   LEU   8           HG       LEU   8 -16.490  -6.648   0.645
   59   1HD1  LEU   8          3HD1      LEU   8 -14.396  -8.473   0.877
   60   2HD1  LEU   8          2HD1      LEU   8 -15.429  -9.147  -0.388
   61   3HD1  LEU   8          1HD1      LEU   8 -14.788  -7.511  -0.550
   62   1HD2  LEU   8          3HD2      LEU   8 -18.386  -8.346   1.201
   63   2HD2  LEU   8          2HD2      LEU   8 -17.995  -8.038  -0.491
   64   3HD2  LEU   8          1HD2      LEU   8 -17.391  -9.494   0.304
   65    H    HIS   9           H        HIS   9 -16.412  -5.188   3.357
   66    HA   HIS   9           HA       HIS   9 -16.475  -3.515   1.166
   67   1HB   HIS   9          2HB       HIS   9 -17.933  -2.890   2.808
   68   2HB   HIS   9          1HB       HIS   9 -16.799  -3.206   4.119
   69    HD1  HIS   9          1HD       HIS   9 -16.431  -0.955   5.247
   70    HD2  HIS   9          2HD       HIS   9 -16.551  -0.757   1.126
   71    HE1  HIS   9          1HE       HIS   9 -15.910   1.461   4.657
   72    H    ASP  10           H        ASP  10 -14.561  -2.568   3.988
   73    HA   ASP  10           HA       ASP  10 -12.772  -1.034   2.316
   74   1HB   ASP  10          2HB       ASP  10 -13.486  -0.215   4.492
   75   2HB   ASP  10          1HB       ASP  10 -12.793  -1.629   5.272
   76    H    LYS  11           H        LYS  11 -12.457  -3.914   4.387
   77    HA   LYS  11           HA       LYS  11 -10.693  -5.449   4.586
   78   1HB   LYS  11          2HB       LYS  11 -11.891  -5.815   2.329
   79   2HB   LYS  11          1HB       LYS  11 -10.440  -5.109   1.607
   80   1HG   LYS  11          2HG       LYS  11  -9.770  -7.099   3.627
   81   2HG   LYS  11          1HG       LYS  11 -10.776  -7.785   2.350
   82   1HD   LYS  11          2HD       LYS  11  -9.209  -7.349   0.691
   83   2HD   LYS  11          1HD       LYS  11  -8.485  -6.012   1.583
   84   1HE   LYS  11          2HE       LYS  11  -7.020  -8.035   1.519
   85   2HE   LYS  11          1HE       LYS  11  -7.459  -7.563   3.160
   86   1HZ   LYS  11          2HZ       LYS  11  -9.280  -9.202   3.047
   87   2HZ   LYS  11          1HZ       LYS  11  -8.695  -9.717   1.537
   88   3HZ   LYS  11          3HZ       LYS  11  -7.741  -9.910   2.926
   89    H    GLY  12           H        GLY  12  -9.912  -2.472   4.529
   90   1HA   GLY  12          2HA       GLY  12  -7.596  -1.870   5.144
   91   2HA   GLY  12          1HA       GLY  12  -7.040  -2.978   3.893
   92    H    LYS  13           H        LYS  13  -9.161  -1.982   2.017
   93    HA   LYS  13           HA       LYS  13  -9.277  -0.432   0.273
   94   1HB   LYS  13          2HB       LYS  13  -8.839   0.984   2.783
   95   2HB   LYS  13          1HB       LYS  13  -8.962   1.943   1.303
   96   1HG   LYS  13          2HG       LYS  13 -11.008  -0.108   2.220
   97   2HG   LYS  13          1HG       LYS  13 -11.183   1.630   2.448
   98   1HD   LYS  13          2HD       LYS  13 -10.914   1.892  -0.058
   99   2HD   LYS  13          1HD       LYS  13 -11.008   0.134  -0.178
  100   1HE   LYS  13          2HE       LYS  13 -13.237   0.771  -0.506
  101   2HE   LYS  13          1HE       LYS  13 -13.203   0.410   1.219
  102   1HZ   LYS  13          3HZ       LYS  13 -12.748   3.125   0.121
  103   2HZ   LYS  13          2HZ       LYS  13 -14.276   2.562   0.601
  104   3HZ   LYS  13          1HZ       LYS  13 -13.022   2.694   1.739
  105    H    SER  14           H        SER  14  -7.968   0.182  -1.310
  106    HA   SER  14           HA       SER  14  -5.883   0.273  -2.361
  107   1HB   SER  14          2HB       SER  14  -4.997   2.294  -0.345
  108   2HB   SER  14          1HB       SER  14  -4.883   2.347  -2.105
  109    HG   SER  14           HG       SER  14  -6.911   3.054  -2.227
  110    H    ILE  15           H        ILE  15  -6.236  -1.611  -0.511
  111    HA   ILE  15           HA       ILE  15  -3.843  -1.839   1.149
  112    HB   ILE  15           HB       ILE  15  -5.189  -4.332   0.824
  113   1HG1  ILE  15          2HG1      ILE  15  -7.381  -3.374   1.929
  114   2HG1  ILE  15          1HG1      ILE  15  -6.957  -1.950   1.049
  115   1HG2  ILE  15          3HG2      ILE  15  -3.929  -3.574   2.813
  116   2HG2  ILE  15          2HG2      ILE  15  -5.183  -2.378   3.136
  117   3HG2  ILE  15          1HG2      ILE  15  -5.557  -4.099   3.240
  118   1HD1  ILE  15          2HD1      ILE  15  -6.794  -4.460  -0.486
  119   2HD1  ILE  15          1HD1      ILE  15  -8.420  -3.981   0.001
  120   3HD1  ILE  15          3HD1      ILE  15  -7.433  -2.890  -0.972
  121    H    GLN  16           H        GLN  16  -5.515  -3.491  -1.440
  122    HA   GLN  16           HA       GLN  16  -3.404  -5.108  -2.447
  123   1HB   GLN  16          2HB       GLN  16  -5.769  -3.753  -3.805
  124   2HB   GLN  16          1HB       GLN  16  -4.754  -4.978  -4.579
  125   1HG   GLN  16          2HG       GLN  16  -6.409  -5.357  -2.066
  126   2HG   GLN  16          1HG       GLN  16  -6.775  -6.023  -3.657
  127   1HE2  GLN  16          2HE2      GLN  16  -4.545  -8.241  -1.294
  128   2HE2  GLN  16          1HE2      GLN  16  -5.687  -7.089  -0.798
  129    H    ASP  17           H        ASP  17  -4.214  -1.738  -2.472
  130    HA   ASP  17           HA       ASP  17  -2.251  -1.139  -4.617
  131   1HB   ASP  17          2HB       ASP  17  -4.551   0.126  -3.971
  132   2HB   ASP  17          1HB       ASP  17  -3.445   1.030  -2.937
  133    H    LEU  18           H        LEU  18  -2.678  -0.789  -1.108
  134    HA   LEU  18           HA       LEU  18  -0.331   0.639  -0.473
  135   1HB   LEU  18          2HB       LEU  18  -1.905   0.009   1.279
  136   2HB   LEU  18          1HB       LEU  18  -1.634  -1.704   0.958
  137    HG   LEU  18           HG       LEU  18   0.873  -1.103   1.438
  138   1HD1  LEU  18          1HD1      LEU  18  -0.668   1.162   2.718
  139   2HD1  LEU  18          3HD1      LEU  18   0.939   0.680   3.262
  140   3HD1  LEU  18          2HD1      LEU  18   0.706   1.275   1.619
  141   1HD2  LEU  18          1HD2      LEU  18  -1.405  -1.698   3.243
  142   2HD2  LEU  18          3HD2      LEU  18   0.091  -2.595   2.988
  143   3HD2  LEU  18          2HD2      LEU  18   0.082  -1.178   4.037
  144    H    ARG  19           H        ARG  19  -0.904  -2.541  -1.655
  145    HA   ARG  19           HA       ARG  19   1.678  -3.723  -1.202
  146   1HB   ARG  19          2HB       ARG  19   0.046  -5.307  -1.709
  147   2HB   ARG  19          1HB       ARG  19  -0.788  -4.229  -2.813
  148   1HG   ARG  19          2HG       ARG  19   1.087  -4.529  -4.446
  149   2HG   ARG  19          1HG       ARG  19   1.769  -5.753  -3.371
  150   1HD   ARG  19          2HD       ARG  19  -0.648  -5.873  -5.101
  151   2HD   ARG  19          1HD       ARG  19   0.493  -7.148  -4.679
  152    HE   ARG  19           HE       ARG  19  -1.725  -6.224  -2.901
  153   1HH1  ARG  19          1HH1      ARG  19  -2.697  -8.616  -3.552
  154   2HH1  ARG  19          2HH1      ARG  19  -1.812  -9.833  -2.694
  155   1HH2  ARG  19          1HH2      ARG  19   0.863  -7.750  -1.967
  156   2HH2  ARG  19          2HH2      ARG  19   0.205  -9.343  -1.799
  157    H    ARG  20           H        ARG  20   0.191  -2.480  -4.220
  158    HA   ARG  20           HA       ARG  20   2.684  -2.379  -5.595
  159   1HB   ARG  20          2HB       ARG  20   0.728  -2.317  -6.939
  160   2HB   ARG  20          1HB       ARG  20   0.068  -0.980  -6.008
  161   1HG   ARG  20          2HG       ARG  20   0.973   0.447  -7.501
  162   2HG   ARG  20          1HG       ARG  20   2.570  -0.089  -6.976
  163   1HD   ARG  20          2HD       ARG  20   2.761  -0.731  -9.162
  164   2HD   ARG  20          1HD       ARG  20   1.902  -2.159  -8.585
  165    HE   ARG  20           HE       ARG  20  -0.144  -0.451  -9.265
  166   1HH1  ARG  20          1HH1      ARG  20   1.029  -2.917 -10.828
  167   2HH1  ARG  20          2HH1      ARG  20   1.104  -2.233 -12.418
  168   1HH2  ARG  20          1HH2      ARG  20   0.671   1.027 -11.328
  169   2HH2  ARG  20          2HH2      ARG  20   0.902  -0.003 -12.700
  170    H    ARG  21           H        ARG  21   1.091  -0.230  -3.325
  171    HA   ARG  21           HA       ARG  21   2.619   2.134  -3.812
  172   1HB   ARG  21          2HB       ARG  21   1.046   1.010  -1.605
  173   2HB   ARG  21          1HB       ARG  21   2.443   1.915  -1.022
  174   1HG   ARG  21          2HG       ARG  21   0.939   3.652  -1.237
  175   2HG   ARG  21          1HG       ARG  21   1.614   3.657  -2.866
  176   1HD   ARG  21          2HD       ARG  21  -0.689   3.638  -3.290
  177   2HD   ARG  21          1HD       ARG  21  -0.279   1.925  -3.380
  178    HE   ARG  21           HE       ARG  21  -1.593   1.579  -1.456
  179   1HH1  ARG  21          1HH1      ARG  21  -3.285   3.896  -2.046
  180   2HH1  ARG  21          2HH1      ARG  21  -3.129   4.879  -0.628
  181   1HH2  ARG  21          1HH2      ARG  21  -0.271   3.266   0.497
  182   2HH2  ARG  21          2HH2      ARG  21  -1.425   4.519   0.816
  183    H    PHE  22           H        PHE  22   3.245  -0.934  -2.283
  184    HA   PHE  22           HA       PHE  22   6.012  -0.223  -1.627
  185   1HB   PHE  22          2HB       PHE  22   4.558  -2.818  -1.367
  186   2HB   PHE  22          1HB       PHE  22   6.166  -2.485  -0.728
  187    HD1  PHE  22          1HD       PHE  22   5.669   0.390   0.036
  188    HD2  PHE  22          2HD       PHE  22   3.374  -3.185   0.648
  189    HE1  PHE  22          1HE       PHE  22   4.584   1.424   1.984
  190    HE2  PHE  22          2HE       PHE  22   2.296  -2.142   2.609
  191    HZ   PHE  22           HZ       PHE  22   2.910   0.155   3.237
  192    H    PHE  23           H        PHE  23   4.099  -1.911  -3.985
  193    HA   PHE  23           HA       PHE  23   5.264  -3.676  -5.440
  194   1HB   PHE  23          2HB       PHE  23   3.939  -1.382  -6.351
  195   2HB   PHE  23          1HB       PHE  23   5.385  -1.504  -7.330
  196    HD1  PHE  23          1HD       PHE  23   4.583  -2.233  -9.366
  197    HD2  PHE  23          2HD       PHE  23   3.447  -4.241  -5.748
  198    HE1  PHE  23          1HE       PHE  23   3.518  -4.023 -10.696
  199    HE2  PHE  23          2HE       PHE  23   2.383  -6.036  -7.081
  200    HZ   PHE  23           HZ       PHE  23   2.430  -5.897  -9.540
  201    H    LEU  24           H        LEU  24   6.631  -0.545  -6.364
  202    HA   LEU  24           HA       LEU  24   9.194  -1.744  -7.022
  203   1HB   LEU  24          2HB       LEU  24   8.156   1.095  -6.933
  204   2HB   LEU  24          1HB       LEU  24   9.844   0.733  -7.296
  205    HG   LEU  24           HG       LEU  24   8.091  -0.975  -8.841
  206   1HD1  LEU  24          3HD1      LEU  24   7.482   1.950  -8.738
  207   2HD1  LEU  24          2HD1      LEU  24   7.459   1.158 -10.313
  208   3HD1  LEU  24          1HD1      LEU  24   6.398   0.589  -9.025
  209   1HD2  LEU  24          3HD2      LEU  24  10.540   0.480  -9.058
  210   2HD2  LEU  24          2HD2      LEU  24   9.907  -0.749 -10.153
  211   3HD2  LEU  24          1HD2      LEU  24   9.511   0.950 -10.412
  212    H    HIS  25           H        HIS  25   7.871   0.190  -4.358
  213    HA   HIS  25           HA       HIS  25  10.267   0.796  -2.992
  214   1HB   HIS  25          2HB       HIS  25   7.445   0.687  -2.367
  215   2HB   HIS  25          1HB       HIS  25   8.390   0.057  -1.012
  216    HD1  HIS  25          1HD       HIS  25   7.602   2.356   0.195
  217    HD2  HIS  25          2HD       HIS  25  10.283   2.780  -2.969
  218    HE1  HIS  25          1HE       HIS  25   8.579   4.684   0.393
  219    H    HIS  26           H        HIS  26   8.494  -2.247  -3.250
  220    HA   HIS  26           HA       HIS  26  10.000  -3.597  -1.190
  221   1HB   HIS  26          2HB       HIS  26   7.670  -4.155  -2.367
  222   2HB   HIS  26          1HB       HIS  26   8.751  -5.151  -3.345
  223    HD1  HIS  26          1HD       HIS  26   8.864  -4.324   0.345
  224    HD2  HIS  26          2HD       HIS  26   8.717  -7.646  -2.162
  225    HE1  HIS  26          1HE       HIS  26   9.112  -6.338   1.831
  226    H    LEU  27           H        LEU  27  10.048  -3.684  -4.748
  227    HA   LEU  27           HA       LEU  27  12.313  -5.460  -4.881
  228   1HB   LEU  27          2HB       LEU  27  11.422  -3.509  -7.016
  229   2HB   LEU  27          1HB       LEU  27  12.286  -5.029  -7.238
  230    HG   LEU  27           HG       LEU  27   9.656  -5.137  -5.833
  231   1HD1  LEU  27          2HD1      LEU  27   9.433  -3.624  -7.896
  232   2HD1  LEU  27          1HD1      LEU  27   9.816  -5.057  -8.850
  233   3HD1  LEU  27          3HD1      LEU  27   8.375  -5.033  -7.834
  234   1HD2  LEU  27          1HD2      LEU  27  11.038  -6.873  -7.906
  235   2HD2  LEU  27          3HD2      LEU  27  11.056  -7.148  -6.164
  236   3HD2  LEU  27          2HD2      LEU  27   9.543  -7.279  -7.062
  237    H    ILE  28           H        ILE  28  11.963  -1.961  -4.700
  238    HA   ILE  28           HA       ILE  28  14.928  -1.709  -4.958
  239    HB   ILE  28           HB       ILE  28  13.417  -0.330  -6.474
  240   1HG1  ILE  28          2HG1      ILE  28  14.771   1.793  -5.063
  241   2HG1  ILE  28          1HG1      ILE  28  15.779   0.345  -5.058
  242   1HG2  ILE  28          1HG2      ILE  28  12.206   0.251  -3.967
  243   2HG2  ILE  28          3HG2      ILE  28  12.928   1.750  -4.552
  244   3HG2  ILE  28          2HG2      ILE  28  11.761   0.883  -5.551
  245   1HD1  ILE  28          1HD1      ILE  28  14.429   1.081  -7.618
  246   2HD1  ILE  28          3HD1      ILE  28  15.808   2.057  -7.110
  247   3HD1  ILE  28          2HD1      ILE  28  15.998   0.321  -7.355
  248    H    ALA  29           H        ALA  29  13.687  -2.694  -2.540
  249    HA   ALA  29           HA       ALA  29  15.059  -1.413  -0.534
  250   1HB   ALA  29          3HB       ALA  29  12.858   0.243  -1.430
  251   2HB   ALA  29          2HB       ALA  29  12.638  -0.208   0.261
  252   3HB   ALA  29          1HB       ALA  29  14.114   0.613  -0.247
  253    H    GLU  30           H        GLU  30  15.023  -3.128   0.834
  254    HA   GLU  30           HA       GLU  30  12.362  -4.334   1.480
  255   1HB   GLU  30          2HB       GLU  30  13.533  -6.490   1.782
  256   2HB   GLU  30          1HB       GLU  30  13.740  -5.881   0.136
  257   1HG   GLU  30          2HG       GLU  30  15.971  -5.300   0.488
  258   2HG   GLU  30          1HG       GLU  30  15.766  -5.165   2.237
  259    H    ILE  31           H        ILE  31  12.117  -5.055   3.687
  260    HA   ILE  31           HA       ILE  31  13.631  -3.408   5.581
  261    HB   ILE  31           HB       ILE  31  11.895  -5.516   6.682
  262   1HG1  ILE  31          2HG1      ILE  31  10.577  -5.134   4.694
  263   2HG1  ILE  31          1HG1      ILE  31   9.814  -4.232   6.003
  264   1HG2  ILE  31          2HG2      ILE  31  12.892  -2.979   7.383
  265   2HG2  ILE  31          1HG2      ILE  31  11.148  -2.777   7.222
  266   3HG2  ILE  31          3HG2      ILE  31  11.797  -3.988   8.327
  267   1HD1  ILE  31          1HD1      ILE  31  11.630  -2.404   5.024
  268   2HD1  ILE  31          3HD1      ILE  31  11.111  -3.239   3.559
  269   3HD1  ILE  31          2HD1      ILE  31   9.919  -2.458   4.597
  270    H    HIS  32           H        HIS  32  15.678  -4.140   5.894
  271    HA   HIS  32           HA       HIS  32  16.731  -6.679   5.664
  272   1HB   HIS  32          2HB       HIS  32  17.414  -4.545   7.702
  273   2HB   HIS  32          1HB       HIS  32  18.399  -5.985   7.423
  274    HD1  HIS  32          1HD       HIS  32  17.449  -5.674   4.205
  275    HD2  HIS  32          2HD       HIS  32  19.717  -3.091   6.563
  276    HE1  HIS  32          1HE       HIS  32  18.803  -4.248   2.607
  277    H    THR  33           H        THR  33  15.379  -8.351   6.389
  278    HA   THR  33           HA       THR  33  14.161  -8.374   9.004
  279    HB   THR  33           HB       THR  33  14.573 -11.043   8.062
  280    HG1  THR  33          1HG       THR  33  14.451 -10.852   5.985
  281   1HG2  THR  33          1HG2      THR  33  12.603 -10.160   9.278
  282   2HG2  THR  33          3HG2      THR  33  12.175  -9.200   7.861
  283   3HG2  THR  33          2HG2      THR  33  12.139 -10.962   7.777
  284    H    ALA  34           H        ALA  34  15.906  -7.876  10.457
  285    HA   ALA  34           HA       ALA  34  17.683 -10.221  10.970
  286   1HB   ALA  34          1HB       ALA  34  18.543  -7.703  10.046
  287   2HB   ALA  34          3HB       ALA  34  18.928  -7.727  11.767
  288   3HB   ALA  34          2HB       ALA  34  19.553  -8.989  10.706
   
  No H/Q in entry =         288
  Start of MODEL   19
    1   1H    ALA   1          2HT       ALA   1 -20.068 -16.893 -12.084
    2   2H    ALA   1          1HT       ALA   1 -20.696 -18.254 -12.883
    3   3H    ALA   1          3HT       ALA   1 -19.295 -18.399 -11.935
    4    HA   ALA   1           HA       ALA   1 -18.648 -18.381 -14.223
    5   1HB   ALA   1          2HB       ALA   1 -20.372 -15.900 -14.269
    6   2HB   ALA   1          1HB       ALA   1 -19.154 -16.211 -15.506
    7   3HB   ALA   1          3HB       ALA   1 -20.498 -17.333 -15.289
    8    H    VAL   2           H        VAL   2 -17.257 -17.961 -11.959
    9    HA   VAL   2           HA       VAL   2 -16.174 -15.465 -11.379
   10    HB   VAL   2           HB       VAL   2 -15.632 -17.541 -10.135
   11   1HG1  VAL   2          2HG1      VAL   2 -14.400 -18.210 -12.767
   12   2HG1  VAL   2          1HG1      VAL   2 -13.548 -18.748 -11.319
   13   3HG1  VAL   2          3HG1      VAL   2 -15.211 -19.260 -11.606
   14   1HG2  VAL   2          1HG2      VAL   2 -13.379 -15.861 -11.244
   15   2HG2  VAL   2          3HG2      VAL   2 -14.164 -15.734  -9.671
   16   3HG2  VAL   2          2HG2      VAL   2 -13.093 -17.093 -10.017
   17    H    SER   3           H        SER   3 -14.278 -14.348 -12.149
   18    HA   SER   3           HA       SER   3 -13.428 -15.136 -14.908
   19   1HB   SER   3          2HB       SER   3 -14.594 -13.236 -15.474
   20   2HB   SER   3          1HB       SER   3 -14.451 -12.544 -13.856
   21    HG   SER   3           HG       SER   3 -13.113 -11.363 -15.139
   22    H    GLU   4           H        GLU   4 -11.223 -14.409 -15.456
   23    HA   GLU   4           HA       GLU   4  -9.424 -14.674 -13.171
   24   1HB   GLU   4          2HB       GLU   4  -8.923 -15.656 -15.418
   25   2HB   GLU   4          1HB       GLU   4  -8.751 -14.021 -16.056
   26   1HG   GLU   4          2HG       GLU   4  -6.680 -13.796 -15.179
   27   2HG   GLU   4          1HG       GLU   4  -7.202 -14.415 -13.611
   28    H    HIS   5           H        HIS   5  -9.583 -12.186 -15.744
   29    HA   HIS   5           HA       HIS   5  -8.002 -10.245 -14.633
   30   1HB   HIS   5          2HB       HIS   5 -10.067 -10.300 -16.572
   31   2HB   HIS   5          1HB       HIS   5 -10.305  -8.882 -15.550
   32    HD1  HIS   5          1HD       HIS   5  -7.829  -7.584 -15.071
   33    HD2  HIS   5          2HD       HIS   5  -8.286  -9.777 -18.585
   34    HE1  HIS   5          1HE       HIS   5  -6.046  -6.755 -16.669
   35    H    GLN   6           H        GLN   6 -11.292 -11.053 -13.616
   36    HA   GLN   6           HA       GLN   6 -11.906  -8.911 -11.974
   37   1HB   GLN   6          2HB       GLN   6 -12.621 -11.692 -12.076
   38   2HB   GLN   6          1HB       GLN   6 -12.529 -11.132 -10.408
   39   1HG   GLN   6          2HG       GLN   6 -13.922  -9.125 -11.160
   40   2HG   GLN   6          1HG       GLN   6 -14.217 -10.016 -12.654
   41   1HE2  GLN   6          2HE2      GLN   6 -16.144 -11.114  -9.239
   42   2HE2  GLN   6          1HE2      GLN   6 -14.982  -9.865  -9.223
   43    H    LEU   7           H        LEU   7 -11.574  -8.699  -9.559
   44    HA   LEU   7           HA       LEU   7 -10.183  -8.723  -7.656
   45   1HB   LEU   7          2HB       LEU   7  -9.712 -11.247  -8.916
   46   2HB   LEU   7          1HB       LEU   7  -8.158 -10.596  -8.395
   47    HG   LEU   7           HG       LEU   7  -9.743 -10.018  -6.235
   48   1HD1  LEU   7          2HD1      LEU   7 -11.433 -11.571  -7.617
   49   2HD1  LEU   7          1HD1      LEU   7 -10.505 -12.845  -6.825
   50   3HD1  LEU   7          3HD1      LEU   7 -11.345 -11.635  -5.856
   51   1HD2  LEU   7          3HD2      LEU   7  -7.623 -11.839  -6.948
   52   2HD2  LEU   7          2HD2      LEU   7  -7.957 -11.099  -5.382
   53   3HD2  LEU   7          1HD2      LEU   7  -8.718 -12.631  -5.814
   54    H    LEU   8           H        LEU   8  -8.245  -9.229 -10.670
   55    HA   LEU   8           HA       LEU   8  -6.027  -7.754  -9.830
   56   1HB   LEU   8          2HB       LEU   8  -5.745  -9.156 -11.685
   57   2HB   LEU   8          1HB       LEU   8  -7.159  -8.483 -12.485
   58    HG   LEU   8           HG       LEU   8  -6.052  -6.393 -12.852
   59   1HD1  LEU   8          2HD1      LEU   8  -4.450  -7.355 -10.675
   60   2HD1  LEU   8          1HD1      LEU   8  -3.391  -6.927 -12.021
   61   3HD1  LEU   8          3HD1      LEU   8  -4.502  -5.728 -11.357
   62   1HD2  LEU   8          3HD2      LEU   8  -5.532  -8.409 -14.347
   63   2HD2  LEU   8          2HD2      LEU   8  -4.372  -7.083 -14.412
   64   3HD2  LEU   8          1HD2      LEU   8  -4.006  -8.530 -13.474
   65    H    HIS   9           H        HIS   9  -9.164  -6.720 -10.831
   66    HA   HIS   9           HA       HIS   9  -8.317  -4.088 -11.649
   67   1HB   HIS   9          2HB       HIS   9 -11.043  -5.186 -11.025
   68   2HB   HIS   9          1HB       HIS   9 -10.762  -3.583 -11.724
   69    HD1  HIS   9          1HD       HIS   9 -11.469  -3.941 -14.176
   70    HD2  HIS   9          2HD       HIS   9  -9.059  -6.912 -12.622
   71    HE1  HIS   9          1HE       HIS   9 -10.927  -5.476 -16.127
   72    H    ASP  10           H        ASP  10  -9.451  -5.720  -8.886
   73    HA   ASP  10           HA       ASP  10  -9.798  -3.346  -7.269
   74   1HB   ASP  10          2HB       ASP  10 -11.397  -5.051  -7.030
   75   2HB   ASP  10          1HB       ASP  10 -10.162  -6.303  -6.954
   76    H    LYS  11           H        LYS  11  -7.123  -4.690  -8.336
   77    HA   LYS  11           HA       LYS  11  -5.743  -5.360  -5.915
   78   1HB   LYS  11          2HB       LYS  11  -5.061  -6.192  -8.151
   79   2HB   LYS  11          1HB       LYS  11  -4.572  -4.554  -8.574
   80   1HG   LYS  11          2HG       LYS  11  -2.843  -6.357  -7.547
   81   2HG   LYS  11          1HG       LYS  11  -2.679  -4.628  -7.284
   82   1HD   LYS  11          2HD       LYS  11  -2.436  -5.658  -5.134
   83   2HD   LYS  11          1HD       LYS  11  -4.032  -4.936  -5.140
   84   1HE   LYS  11          2HE       LYS  11  -3.247  -7.777  -5.003
   85   2HE   LYS  11          1HE       LYS  11  -4.710  -6.991  -4.424
   86   1HZ   LYS  11          3HZ       LYS  11  -4.177  -7.611  -7.280
   87   2HZ   LYS  11          2HZ       LYS  11  -5.074  -8.604  -6.241
   88   3HZ   LYS  11          1HZ       LYS  11  -5.629  -7.045  -6.611
   89    H    GLY  12           H        GLY  12  -7.007  -2.841  -5.545
   90   1HA   GLY  12          2HA       GLY  12  -4.698  -1.299  -4.774
   91   2HA   GLY  12          1HA       GLY  12  -5.612  -0.529  -6.065
   92    H    LYS  13           H        LYS  13  -7.503  -2.416  -3.876
   93    HA   LYS  13           HA       LYS  13  -9.109  -0.265  -3.026
   94   1HB   LYS  13          2HB       LYS  13  -8.570  -2.812  -1.569
   95   2HB   LYS  13          1HB       LYS  13 -10.009  -1.803  -1.394
   96   1HG   LYS  13          2HG       LYS  13  -9.222  -3.002  -4.062
   97   2HG   LYS  13          1HG       LYS  13 -10.250  -3.864  -2.914
   98   1HD   LYS  13          2HD       LYS  13 -12.042  -2.637  -3.504
   99   2HD   LYS  13          1HD       LYS  13 -11.162  -1.134  -3.221
  100   1HE   LYS  13          2HE       LYS  13 -10.585  -0.896  -5.423
  101   2HE   LYS  13          1HE       LYS  13 -10.423  -2.633  -5.674
  102   1HZ   LYS  13          2HZ       LYS  13 -12.977  -2.606  -5.347
  103   2HZ   LYS  13          1HZ       LYS  13 -12.842  -0.964  -5.757
  104   3HZ   LYS  13          3HZ       LYS  13 -12.321  -2.153  -6.847
  105    H    SER  14           H        SER  14  -6.521   0.754  -2.449
  106    HA   SER  14           HA       SER  14  -5.310   1.680  -0.650
  107   1HB   SER  14          2HB       SER  14  -7.264   2.806   0.032
  108   2HB   SER  14          1HB       SER  14  -8.077   1.273   0.360
  109    HG   SER  14           HG       SER  14  -5.929   2.418   1.832
  110    H    ILE  15           H        ILE  15  -4.674  -0.747  -1.133
  111    HA   ILE  15           HA       ILE  15  -3.408  -1.838   1.032
  112    HB   ILE  15           HB       ILE  15  -5.056  -3.897   1.155
  113   1HG1  ILE  15          2HG1      ILE  15  -7.226  -2.007   1.474
  114   2HG1  ILE  15          1HG1      ILE  15  -6.625  -2.056  -0.183
  115   1HG2  ILE  15          2HG2      ILE  15  -4.482  -1.625   2.831
  116   2HG2  ILE  15          1HG2      ILE  15  -6.137  -2.173   3.097
  117   3HG2  ILE  15          3HG2      ILE  15  -4.793  -3.295   3.309
  118   1HD1  ILE  15          3HD1      ILE  15  -6.719  -4.721   0.808
  119   2HD1  ILE  15          2HD1      ILE  15  -8.279  -3.957   1.107
  120   3HD1  ILE  15          1HD1      ILE  15  -7.622  -4.012  -0.527
  121    H    GLN  16           H        GLN  16  -5.663  -3.192  -1.252
  122    HA   GLN  16           HA       GLN  16  -3.989  -5.145  -2.390
  123   1HB   GLN  16          2HB       GLN  16  -6.061  -3.361  -3.698
  124   2HB   GLN  16          1HB       GLN  16  -5.541  -4.933  -4.291
  125   1HG   GLN  16          2HG       GLN  16  -6.359  -5.067  -1.519
  126   2HG   GLN  16          1HG       GLN  16  -7.653  -4.445  -2.543
  127   1HE2  GLN  16          2HE2      GLN  16  -7.351  -8.312  -2.514
  128   2HE2  GLN  16          1HE2      GLN  16  -7.128  -7.224  -1.230
  129    H    ASP  17           H        ASP  17  -4.124  -1.681  -2.563
  130    HA   ASP  17           HA       ASP  17  -2.104  -1.548  -4.725
  131   1HB   ASP  17          2HB       ASP  17  -4.197   0.216  -3.804
  132   2HB   ASP  17          1HB       ASP  17  -2.643   1.032  -3.625
  133    H    LEU  18           H        LEU  18  -2.595  -1.033  -1.257
  134    HA   LEU  18           HA       LEU  18  -0.243   0.305  -0.528
  135   1HB   LEU  18          2HB       LEU  18  -1.999  -0.598   1.067
  136   2HB   LEU  18          1HB       LEU  18  -1.267  -2.192   0.865
  137    HG   LEU  18           HG       LEU  18   0.946  -0.775   1.422
  138   1HD1  LEU  18          3HD1      LEU  18  -0.981   1.144   1.796
  139   2HD1  LEU  18          2HD1      LEU  18  -0.785   0.510   3.430
  140   3HD1  LEU  18          1HD1      LEU  18   0.607   1.161   2.563
  141   1HD2  LEU  18          1HD2      LEU  18  -1.058  -2.200   3.121
  142   2HD2  LEU  18          3HD2      LEU  18   0.620  -2.620   2.778
  143   3HD2  LEU  18          2HD2      LEU  18   0.250  -1.345   3.941
  144    H    ARG  19           H        ARG  19  -0.796  -2.841  -1.798
  145    HA   ARG  19           HA       ARG  19   1.807  -4.000  -1.427
  146   1HB   ARG  19          2HB       ARG  19   0.050  -5.513  -1.899
  147   2HB   ARG  19          1HB       ARG  19  -0.642  -4.456  -3.119
  148   1HG   ARG  19          2HG       ARG  19   1.340  -4.889  -4.570
  149   2HG   ARG  19          1HG       ARG  19   1.894  -6.086  -3.392
  150   1HD   ARG  19          2HD       ARG  19  -0.432  -6.185  -5.260
  151   2HD   ARG  19          1HD       ARG  19   0.677  -7.472  -4.788
  152    HE   ARG  19           HE       ARG  19  -1.747  -6.642  -3.320
  153   1HH1  ARG  19          1HH1      ARG  19   1.029  -7.287  -1.864
  154   2HH1  ARG  19          2HH1      ARG  19   0.651  -8.878  -1.292
  155   1HH2  ARG  19          1HH2      ARG  19  -2.188  -9.198  -3.257
  156   2HH2  ARG  19          2HH2      ARG  19  -1.169  -9.960  -2.082
  157    H    ARG  20           H        ARG  20   0.181  -2.425  -4.188
  158    HA   ARG  20           HA       ARG  20   2.620  -2.349  -5.748
  159   1HB   ARG  20          2HB       ARG  20   1.270  -1.642  -7.441
  160   2HB   ARG  20          1HB       ARG  20  -0.005  -2.187  -6.354
  161   1HG   ARG  20          2HG       ARG  20  -0.836  -0.091  -6.613
  162   2HG   ARG  20          1HG       ARG  20   0.423   0.393  -5.479
  163   1HD   ARG  20          2HD       ARG  20   1.333   1.660  -7.107
  164   2HD   ARG  20          1HD       ARG  20   1.671   0.179  -8.008
  165    HE   ARG  20           HE       ARG  20  -1.011   0.742  -8.531
  166   1HH1  ARG  20          1HH1      ARG  20   0.122   0.708 -10.971
  167   2HH1  ARG  20          2HH1      ARG  20   0.494   2.339 -11.421
  168   1HH2  ARG  20          1HH2      ARG  20   0.289   3.560  -8.182
  169   2HH2  ARG  20          2HH2      ARG  20   0.594   3.953  -9.842
  170    H    ARG  21           H        ARG  21   1.045  -0.271  -3.421
  171    HA   ARG  21           HA       ARG  21   2.517   2.133  -3.941
  172   1HB   ARG  21          2HB       ARG  21   1.049   0.928  -1.639
  173   2HB   ARG  21          1HB       ARG  21   2.252   2.142  -1.220
  174   1HG   ARG  21          2HG       ARG  21   0.595   3.635  -1.647
  175   2HG   ARG  21          1HG       ARG  21   0.978   3.331  -3.342
  176   1HD   ARG  21          2HD       ARG  21  -1.347   2.961  -3.238
  177   2HD   ARG  21          1HD       ARG  21  -0.673   1.336  -3.134
  178    HE   ARG  21           HE       ARG  21  -1.774   1.213  -1.060
  179   1HH1  ARG  21          1HH1      ARG  21  -3.466   3.447  -0.969
  180   2HH1  ARG  21          2HH1      ARG  21  -2.787   4.506   0.221
  181   1HH2  ARG  21          1HH2      ARG  21   0.331   2.994   0.174
  182   2HH2  ARG  21          2HH2      ARG  21  -0.639   4.251   0.868
  183    H    PHE  22           H        PHE  22   3.160  -0.920  -2.412
  184    HA   PHE  22           HA       PHE  22   5.884  -0.145  -1.639
  185   1HB   PHE  22          2HB       PHE  22   4.449  -2.745  -1.353
  186   2HB   PHE  22          1HB       PHE  22   6.011  -2.357  -0.639
  187    HD1  PHE  22          1HD       PHE  22   4.843   0.686  -0.416
  188    HD2  PHE  22          2HD       PHE  22   3.720  -3.201   1.026
  189    HE1  PHE  22          1HE       PHE  22   3.637   1.732   1.443
  190    HE2  PHE  22          2HE       PHE  22   2.512  -2.136   2.902
  191    HZ   PHE  22           HZ       PHE  22   2.488   0.319   3.067
  192    H    PHE  23           H        PHE  23   4.109  -1.853  -4.075
  193    HA   PHE  23           HA       PHE  23   5.423  -3.679  -5.414
  194   1HB   PHE  23          2HB       PHE  23   4.053  -1.386  -6.367
  195   2HB   PHE  23          1HB       PHE  23   5.478  -1.590  -7.366
  196    HD1  PHE  23          1HD       PHE  23   3.647  -4.297  -5.637
  197    HD2  PHE  23          2HD       PHE  23   4.458  -2.282  -9.338
  198    HE1  PHE  23          1HE       PHE  23   2.480  -6.095  -6.878
  199    HE2  PHE  23          2HE       PHE  23   3.299  -4.077 -10.574
  200    HZ   PHE  23           HZ       PHE  23   2.318  -5.951  -9.332
  201    H    LEU  24           H        LEU  24   6.625  -0.477  -6.347
  202    HA   LEU  24           HA       LEU  24   9.254  -1.507  -6.967
  203   1HB   LEU  24          2HB       LEU  24   8.211   1.327  -6.665
  204   2HB   LEU  24          1HB       LEU  24   9.829   0.926  -7.243
  205    HG   LEU  24           HG       LEU  24   8.134  -0.691  -8.766
  206   1HD1  LEU  24          3HD1      LEU  24   6.324   0.906  -7.815
  207   2HD1  LEU  24          2HD1      LEU  24   7.046   2.119  -8.875
  208   3HD1  LEU  24          1HD1      LEU  24   6.359   0.644  -9.558
  209   1HD2  LEU  24          3HD2      LEU  24  10.237   0.840  -9.253
  210   2HD2  LEU  24          2HD2      LEU  24   9.114   0.433 -10.551
  211   3HD2  LEU  24          1HD2      LEU  24   9.009   2.003  -9.753
  212    H    HIS  25           H        HIS  25   7.822   0.225  -4.210
  213    HA   HIS  25           HA       HIS  25  10.231   0.830  -2.827
  214   1HB   HIS  25          2HB       HIS  25   7.413   0.757  -2.222
  215   2HB   HIS  25          1HB       HIS  25   8.320   0.037  -0.887
  216    HD1  HIS  25          1HD       HIS  25   7.598   2.295   0.426
  217    HD2  HIS  25          2HD       HIS  25  10.315   2.791  -2.696
  218    HE1  HIS  25          1HE       HIS  25   8.644   4.579   0.744
  219    H    HIS  26           H        HIS  26   8.597  -2.197  -3.342
  220    HA   HIS  26           HA       HIS  26   9.952  -3.623  -1.222
  221   1HB   HIS  26          2HB       HIS  26   7.729  -4.098  -2.719
  222   2HB   HIS  26          1HB       HIS  26   8.918  -5.183  -3.445
  223    HD1  HIS  26          1HD       HIS  26   8.409  -4.122   0.159
  224    HD2  HIS  26          2HD       HIS  26   8.638  -7.587  -2.140
  225    HE1  HIS  26          1HE       HIS  26   8.350  -6.046   1.779
  226    H    LEU  27           H        LEU  27  10.094  -3.894  -4.768
  227    HA   LEU  27           HA       LEU  27  12.460  -5.502  -4.786
  228   1HB   LEU  27          2HB       LEU  27  11.497  -3.681  -7.006
  229   2HB   LEU  27          1HB       LEU  27  12.478  -5.137  -7.167
  230    HG   LEU  27           HG       LEU  27   9.649  -5.089  -6.076
  231   1HD1  LEU  27          2HD1      LEU  27  10.764  -5.703  -8.817
  232   2HD1  LEU  27          1HD1      LEU  27   9.196  -6.308  -8.282
  233   3HD1  LEU  27          3HD1      LEU  27   9.480  -4.571  -8.393
  234   1HD2  LEU  27          1HD2      LEU  27  11.716  -7.217  -6.578
  235   2HD2  LEU  27          3HD2      LEU  27  10.658  -7.004  -5.183
  236   3HD2  LEU  27          2HD2      LEU  27  10.003  -7.619  -6.700
  237    H    ILE  28           H        ILE  28  11.972  -2.022  -4.688
  238    HA   ILE  28           HA       ILE  28  14.949  -1.705  -4.731
  239    HB   ILE  28           HB       ILE  28  13.032   0.501  -5.476
  240   1HG1  ILE  28          2HG1      ILE  28  12.639  -1.560  -6.902
  241   2HG1  ILE  28          1HG1      ILE  28  13.185  -0.140  -7.796
  242   1HG2  ILE  28          2HG2      ILE  28  15.947  -0.019  -5.529
  243   2HG2  ILE  28          1HG2      ILE  28  15.299   0.780  -6.961
  244   3HG2  ILE  28          3HG2      ILE  28  15.079   1.507  -5.369
  245   1HD1  ILE  28          2HD1      ILE  28  15.514  -0.994  -7.695
  246   2HD1  ILE  28          1HD1      ILE  28  14.936  -2.434  -6.855
  247   3HD1  ILE  28          3HD1      ILE  28  14.438  -2.124  -8.519
  248    H    ALA  29           H        ALA  29  13.568  -2.293  -2.357
  249    HA   ALA  29           HA       ALA  29  14.510  -0.485  -0.511
  250   1HB   ALA  29          2HB       ALA  29  12.173   0.584  -1.908
  251   2HB   ALA  29          1HB       ALA  29  11.941   0.526  -0.160
  252   3HB   ALA  29          3HB       ALA  29  13.310   1.407  -0.840
  253    H    GLU  30           H        GLU  30  12.916  -0.464   1.583
  254    HA   GLU  30           HA       GLU  30  11.011  -2.542   1.903
  255   1HB   GLU  30          2HB       GLU  30  12.584  -4.077   3.297
  256   2HB   GLU  30          1HB       GLU  30  12.621  -4.221   1.537
  257   1HG   GLU  30          2HG       GLU  30  14.625  -2.921   1.382
  258   2HG   GLU  30          1HG       GLU  30  14.502  -2.408   3.068
  259    H    ILE  31           H        ILE  31  10.141  -2.470   3.986
  260    HA   ILE  31           HA       ILE  31   9.671  -1.446   6.043
  261    HB   ILE  31           HB       ILE  31  12.672  -1.527   6.368
  262   1HG1  ILE  31          2HG1      ILE  31  11.678  -3.700   5.540
  263   2HG1  ILE  31          1HG1      ILE  31  12.440  -3.813   7.127
  264   1HG2  ILE  31          1HG2      ILE  31  10.311  -1.267   8.186
  265   2HG2  ILE  31          3HG2      ILE  31  11.718  -2.152   8.774
  266   3HG2  ILE  31          2HG2      ILE  31  11.882  -0.470   8.272
  267   1HD1  ILE  31          3HD1      ILE  31   9.582  -3.062   7.175
  268   2HD1  ILE  31          2HD1      ILE  31   9.913  -4.693   6.591
  269   3HD1  ILE  31          1HD1      ILE  31  10.464  -4.201   8.192
  270    H    HIS  32           H        HIS  32  10.000   0.309   3.845
  271    HA   HIS  32           HA       HIS  32  11.654   2.521   4.161
  272   1HB   HIS  32          2HB       HIS  32   9.838   2.060   2.369
  273   2HB   HIS  32          1HB       HIS  32   8.734   2.865   3.490
  274    HD1  HIS  32          1HD       HIS  32   9.170   5.399   3.989
  275    HD2  HIS  32          2HD       HIS  32  11.682   3.779   1.083
  276    HE1  HIS  32          1HE       HIS  32  10.280   7.358   2.830
  277    H    THR  33           H        THR  33  12.030   3.545   6.085
  278    HA   THR  33           HA       THR  33  11.605   4.613   8.135
  279    HB   THR  33           HB       THR  33   8.906   5.211   6.893
  280    HG1  THR  33          1HG       THR  33  11.473   6.279   6.463
  281   1HG2  THR  33          2HG2      THR  33  10.042   5.857   9.378
  282   2HG2  THR  33          1HG2      THR  33  10.201   7.317   8.402
  283   3HG2  THR  33          3HG2      THR  33   8.614   6.589   8.647
  284    H    ALA  34           H        ALA  34  11.453   3.011   9.690
  285    HA   ALA  34           HA       ALA  34   9.356   1.077   9.856
  286   1HB   ALA  34          3HB       ALA  34  11.618   1.948  11.513
  287   2HB   ALA  34          2HB       ALA  34  10.240   1.385  12.460
  288   3HB   ALA  34          1HB       ALA  34  10.975   0.325  11.257
   
  No H/Q in entry =         288
  Start of MODEL   20
    1   1H    ALA   1          2HT       ALA   1 -19.779  13.539  -2.734
    2   2H    ALA   1          1HT       ALA   1 -20.828  14.663  -3.458
    3   3H    ALA   1          3HT       ALA   1 -20.557  13.160  -4.196
    4    HA   ALA   1           HA       ALA   1 -19.215  14.523  -5.449
    5   1HB   ALA   1          1HB       ALA   1 -19.635  16.393  -3.625
    6   2HB   ALA   1          3HB       ALA   1 -18.047  15.887  -3.046
    7   3HB   ALA   1          2HB       ALA   1 -18.234  16.493  -4.692
    8    H    VAL   2           H        VAL   2 -17.046  14.022  -5.998
    9    HA   VAL   2           HA       VAL   2 -15.904  11.685  -5.084
   10    HB   VAL   2           HB       VAL   2 -15.017  12.747  -7.057
   11   1HG1  VAL   2          1HG1      VAL   2 -14.220  14.974  -5.161
   12   2HG1  VAL   2          3HG1      VAL   2 -13.657  14.855  -6.829
   13   3HG1  VAL   2          2HG1      VAL   2 -15.374  15.074  -6.491
   14   1HG2  VAL   2          3HG2      VAL   2 -13.469  11.496  -5.281
   15   2HG2  VAL   2          2HG2      VAL   2 -12.783  12.227  -6.732
   16   3HG2  VAL   2          1HG2      VAL   2 -12.701  13.081  -5.191
   17    H    SER   3           H        SER   3 -14.357  11.133  -3.481
   18    HA   SER   3           HA       SER   3 -14.437  12.805  -1.090
   19   1HB   SER   3          2HB       SER   3 -14.301  10.684  -0.290
   20   2HB   SER   3          1HB       SER   3 -13.600  10.072  -1.789
   21    HG   SER   3           HG       SER   3 -12.241  11.556   0.223
   22    H    GLU   4           H        GLU   4 -12.467  13.553   0.018
   23    HA   GLU   4           HA       GLU   4 -10.463  14.542  -1.942
   24   1HB   GLU   4          2HB       GLU   4 -11.669  16.094  -0.310
   25   2HB   GLU   4          1HB       GLU   4 -10.735  15.323   0.970
   26   1HG   GLU   4          2HG       GLU   4  -8.651  16.017  -0.034
   27   2HG   GLU   4          1HG       GLU   4  -9.485  16.604  -1.475
   28    H    HIS   5           H        HIS   5 -10.425  13.300   1.415
   29    HA   HIS   5           HA       HIS   5  -7.751  12.762   1.724
   30   1HB   HIS   5          2HB       HIS   5 -10.101  11.938   2.990
   31   2HB   HIS   5          1HB       HIS   5  -9.218  10.461   2.606
   32    HD1  HIS   5          1HD       HIS   5  -6.520  10.635   3.293
   33    HD2  HIS   5          2HD       HIS   5  -9.195  13.131   5.287
   34    HE1  HIS   5          1HE       HIS   5  -5.347  11.398   5.406
   35    H    GLN   6           H        GLN   6  -9.955  11.063  -0.402
   36    HA   GLN   6           HA       GLN   6  -8.639   8.674  -0.853
   37   1HB   GLN   6          2HB       GLN   6 -10.345  10.417  -2.409
   38   2HB   GLN   6          1HB       GLN   6  -9.186   9.568  -3.429
   39   1HG   GLN   6          2HG       GLN   6  -9.893   7.478  -2.005
   40   2HG   GLN   6          1HG       GLN   6 -11.327   8.442  -1.650
   41   1HE2  GLN   6          2HE2      GLN   6 -10.678   7.379  -5.583
   42   2HE2  GLN   6          1HE2      GLN   6  -9.335   7.628  -4.561
   43    H    LEU   7           H        LEU   7  -7.058   8.178  -2.747
   44    HA   LEU   7           HA       LEU   7  -4.989   8.591  -3.804
   45   1HB   LEU   7          2HB       LEU   7  -6.283  11.181  -3.737
   46   2HB   LEU   7          1HB       LEU   7  -4.559  11.364  -3.409
   47    HG   LEU   7           HG       LEU   7  -4.966   9.450  -5.536
   48   1HD1  LEU   7          1HD1      LEU   7  -7.046  11.077  -5.661
   49   2HD1  LEU   7          3HD1      LEU   7  -5.862  12.199  -6.333
   50   3HD1  LEU   7          2HD1      LEU   7  -6.163  10.653  -7.126
   51   1HD2  LEU   7          2HD2      LEU   7  -3.558  12.086  -5.141
   52   2HD2  LEU   7          1HD2      LEU   7  -2.857  10.482  -5.362
   53   3HD2  LEU   7          3HD2      LEU   7  -3.595  11.319  -6.728
   54    H    LEU   8           H        LEU   8  -5.301  10.972  -1.114
   55    HA   LEU   8           HA       LEU   8  -2.719  10.321  -0.093
   56   1HB   LEU   8          2HB       LEU   8  -3.464  12.524   0.291
   57   2HB   LEU   8          1HB       LEU   8  -5.036  11.953   0.829
   58    HG   LEU   8           HG       LEU   8  -4.082  10.982   2.817
   59   1HD1  LEU   8          3HD1      LEU   8  -1.918  10.425   1.561
   60   2HD1  LEU   8          2HD1      LEU   8  -1.405  12.066   1.947
   61   3HD1  LEU   8          1HD1      LEU   8  -1.745  10.920   3.244
   62   1HD2  LEU   8          2HD2      LEU   8  -3.190  13.813   2.237
   63   2HD2  LEU   8          1HD2      LEU   8  -4.640  13.294   3.096
   64   3HD2  LEU   8          3HD2      LEU   8  -3.053  13.082   3.836
   65    H    HIS   9           H        HIS   9  -6.023   9.407   0.407
   66    HA   HIS   9           HA       HIS   9  -5.872   8.149   2.912
   67   1HB   HIS   9          2HB       HIS   9  -8.017   8.498   2.042
   68   2HB   HIS   9          1HB       HIS   9  -7.636   7.731   0.496
   69    HD1  HIS   9          1HD       HIS   9  -8.994   5.573   0.478
   70    HD2  HIS   9          2HD       HIS   9  -7.218   6.402   4.118
   71    HE1  HIS   9          1HE       HIS   9  -9.507   3.581   1.968
   72    H    ASP  10           H        ASP  10  -4.998   6.998  -0.287
   73    HA   ASP  10           HA       ASP  10  -4.318   4.823  -0.972
   74   1HB   ASP  10          2HB       ASP  10  -2.362   6.012  -0.749
   75   2HB   ASP  10          1HB       ASP  10  -2.505   6.102   1.006
   76    H    LYS  11           H        LYS  11  -2.986   4.462   2.253
   77    HA   LYS  11           HA       LYS  11  -3.534   1.808   2.677
   78   1HB   LYS  11          2HB       LYS  11  -2.904   4.060   4.330
   79   2HB   LYS  11          1HB       LYS  11  -4.142   3.100   5.147
   80   1HG   LYS  11          2HG       LYS  11  -1.989   1.516   3.893
   81   2HG   LYS  11          1HG       LYS  11  -1.464   2.538   5.230
   82   1HD   LYS  11          2HD       LYS  11  -3.787   1.482   6.231
   83   2HD   LYS  11          1HD       LYS  11  -3.179   0.141   5.258
   84   1HE   LYS  11          2HE       LYS  11  -1.427  -0.232   6.652
   85   2HE   LYS  11          1HE       LYS  11  -1.110   1.490   6.863
   86   1HZ   LYS  11          2HZ       LYS  11  -3.361   1.337   8.185
   87   2HZ   LYS  11          1HZ       LYS  11  -2.875  -0.279   8.381
   88   3HZ   LYS  11          3HZ       LYS  11  -1.873   0.977   8.925
   89    H    GLY  12           H        GLY  12  -5.551   1.230   1.697
   90   1HA   GLY  12          2HA       GLY  12  -7.749   0.642   3.075
   91   2HA   GLY  12          1HA       GLY  12  -8.018   2.383   2.865
   92    H    LYS  13           H        LYS  13  -6.585   2.459   0.335
   93    HA   LYS  13           HA       LYS  13  -8.685   1.733  -1.493
   94   1HB   LYS  13          2HB       LYS  13  -5.988   2.902  -1.660
   95   2HB   LYS  13          1HB       LYS  13  -6.679   2.213  -3.129
   96   1HG   LYS  13          2HG       LYS  13  -8.323   4.065  -1.445
   97   2HG   LYS  13          1HG       LYS  13  -7.107   4.730  -2.539
   98   1HD   LYS  13          2HD       LYS  13  -8.360   4.249  -4.367
   99   2HD   LYS  13          1HD       LYS  13  -8.681   2.612  -3.786
  100   1HE   LYS  13          2HE       LYS  13 -10.129   4.310  -2.072
  101   2HE   LYS  13          1HE       LYS  13 -10.405   4.941  -3.696
  102   1HZ   LYS  13          2HZ       LYS  13 -10.743   2.107  -2.869
  103   2HZ   LYS  13          1HZ       LYS  13 -12.006   3.217  -3.114
  104   3HZ   LYS  13          3HZ       LYS  13 -11.038   2.734  -4.420
  105    H    SER  14           H        SER  14  -8.520  -0.468  -0.322
  106    HA   SER  14           HA       SER  14  -7.833  -2.696  -0.488
  107   1HB   SER  14          2HB       SER  14  -6.802  -2.461  -3.216
  108   2HB   SER  14          1HB       SER  14  -8.116  -3.475  -2.613
  109    HG   SER  14           HG       SER  14  -8.213  -1.102  -3.913
  110    H    ILE  15           H        ILE  15  -6.119  -2.482   0.965
  111    HA   ILE  15           HA       ILE  15  -3.687  -1.258   0.781
  112    HB   ILE  15           HB       ILE  15  -2.706  -3.197   1.916
  113   1HG1  ILE  15          2HG1      ILE  15  -4.487  -5.101   2.132
  114   2HG1  ILE  15          1HG1      ILE  15  -5.078  -4.424   0.637
  115   1HG2  ILE  15          2HG2      ILE  15  -4.525  -1.638   2.976
  116   2HG2  ILE  15          1HG2      ILE  15  -5.553  -3.067   2.859
  117   3HG2  ILE  15          3HG2      ILE  15  -4.075  -3.119   3.821
  118   1HD1  ILE  15          3HD1      ILE  15  -2.280  -4.564   0.345
  119   2HD1  ILE  15          2HD1      ILE  15  -2.747  -6.098   1.083
  120   3HD1  ILE  15          1HD1      ILE  15  -3.473  -5.598  -0.445
  121    H    GLN  16           H        GLN  16  -4.895  -3.921  -1.053
  122    HA   GLN  16           HA       GLN  16  -3.023  -5.048  -2.651
  123   1HB   GLN  16          2HB       GLN  16  -5.266  -3.422  -3.895
  124   2HB   GLN  16          1HB       GLN  16  -4.670  -5.014  -4.397
  125   1HG   GLN  16          2HG       GLN  16  -6.409  -4.294  -2.033
  126   2HG   GLN  16          1HG       GLN  16  -6.756  -5.428  -3.339
  127   1HE2  GLN  16          2HE2      GLN  16  -5.695  -7.410  -0.341
  128   2HE2  GLN  16          1HE2      GLN  16  -6.957  -6.323  -0.667
  129    H    ASP  17           H        ASP  17  -4.163  -1.723  -2.626
  130    HA   ASP  17           HA       ASP  17  -2.227  -0.965  -4.750
  131   1HB   ASP  17          2HB       ASP  17  -4.004   0.887  -3.138
  132   2HB   ASP  17          1HB       ASP  17  -3.276   1.200  -4.714
  133    H    LEU  18           H        LEU  18  -2.807  -0.109  -1.300
  134    HA   LEU  18           HA       LEU  18  -0.539   1.501  -0.886
  135   1HB   LEU  18          2HB       LEU  18  -2.028   1.102   0.976
  136   2HB   LEU  18          1HB       LEU  18  -1.750  -0.638   0.897
  137    HG   LEU  18           HG       LEU  18   0.737  -0.063   1.321
  138   1HD1  LEU  18          1HD1      LEU  18   0.252   2.423   0.875
  139   2HD1  LEU  18          3HD1      LEU  18  -0.467   2.452   2.486
  140   3HD1  LEU  18          2HD1      LEU  18   1.238   2.048   2.288
  141   1HD2  LEU  18          1HD2      LEU  18  -1.528  -0.368   3.087
  142   2HD2  LEU  18          3HD2      LEU  18   0.125  -0.944   3.303
  143   3HD2  LEU  18          2HD2      LEU  18  -0.321   0.674   3.842
  144    H    ARG  19           H        ARG  19  -0.886  -1.875  -1.518
  145    HA   ARG  19           HA       ARG  19   1.764  -2.789  -0.892
  146   1HB   ARG  19          2HB       ARG  19   0.322  -4.576  -1.212
  147   2HB   ARG  19          1HB       ARG  19  -0.633  -3.717  -2.410
  148   1HG   ARG  19          2HG       ARG  19   1.260  -4.027  -4.040
  149   2HG   ARG  19          1HG       ARG  19   2.050  -5.061  -2.847
  150   1HD   ARG  19          2HD       ARG  19  -0.376  -5.567  -4.499
  151   2HD   ARG  19          1HD       ARG  19   0.892  -6.684  -3.996
  152    HE   ARG  19           HE       ARG  19  -1.236  -5.730  -2.120
  153   1HH1  ARG  19          1HH1      ARG  19  -2.125  -8.185  -3.251
  154   2HH1  ARG  19          2HH1      ARG  19  -1.362  -9.421  -2.307
  155   1HH2  ARG  19          1HH2      ARG  19   1.035  -7.296  -0.979
  156   2HH2  ARG  19          2HH2      ARG  19   0.427  -8.918  -1.020
  157    H    ARG  20           H        ARG  20   0.203  -1.911  -3.985
  158    HA   ARG  20           HA       ARG  20   2.609  -2.006  -5.481
  159   1HB   ARG  20          2HB       ARG  20   1.377  -1.192  -7.267
  160   2HB   ARG  20          1HB       ARG  20   0.126  -1.897  -6.244
  161   1HG   ARG  20          2HG       ARG  20  -0.592   0.223  -5.469
  162   2HG   ARG  20          1HG       ARG  20   0.884   1.018  -6.020
  163   1HD   ARG  20          2HD       ARG  20  -0.625   1.602  -7.709
  164   2HD   ARG  20          1HD       ARG  20   0.149   0.168  -8.383
  165    HE   ARG  20           HE       ARG  20  -2.214  -0.527  -6.861
  166   1HH1  ARG  20          1HH1      ARG  20  -4.257  -0.007  -8.015
  167   2HH1  ARG  20          2HH1      ARG  20  -4.210  -0.204  -9.736
  168   1HH2  ARG  20          1HH2      ARG  20  -0.757  -0.471  -9.879
  169   2HH2  ARG  20          2HH2      ARG  20  -2.231  -0.471 -10.789
  170    H    ARG  21           H        ARG  21   1.566   0.186  -3.122
  171    HA   ARG  21           HA       ARG  21   3.076   2.489  -4.105
  172   1HB   ARG  21          2HB       ARG  21   1.503   1.784  -1.703
  173   2HB   ARG  21          1HB       ARG  21   2.935   2.762  -1.350
  174   1HG   ARG  21          2HG       ARG  21   0.898   4.138  -1.835
  175   2HG   ARG  21          1HG       ARG  21   2.229   4.453  -2.950
  176   1HD   ARG  21          2HD       ARG  21   0.199   4.234  -4.253
  177   2HD   ARG  21          1HD       ARG  21   1.191   2.805  -4.543
  178    HE   ARG  21           HE       ARG  21  -0.325   1.744  -2.695
  179   1HH1  ARG  21          1HH1      ARG  21  -2.565   2.483  -1.961
  180   2HH1  ARG  21          2HH1      ARG  21  -3.652   2.809  -3.269
  181   1HH2  ARG  21          1HH2      ARG  21  -1.155   2.919  -5.670
  182   2HH2  ARG  21          2HH2      ARG  21  -2.855   3.059  -5.367
  183    H    PHE  22           H        PHE  22   3.533  -0.400  -2.248
  184    HA   PHE  22           HA       PHE  22   6.335   0.259  -1.637
  185   1HB   PHE  22          2HB       PHE  22   4.731  -2.175  -0.971
  186   2HB   PHE  22          1HB       PHE  22   6.326  -1.783  -0.330
  187    HD1  PHE  22          1HD       PHE  22   3.268  -2.010   0.840
  188    HD2  PHE  22          2HD       PHE  22   6.114   1.093   0.026
  189    HE1  PHE  22          1HE       PHE  22   2.164  -0.554   2.507
  190    HE2  PHE  22          2HE       PHE  22   5.018   2.543   1.695
  191    HZ   PHE  22           HZ       PHE  22   3.055   1.705   2.901
  192    H    PHE  23           H        PHE  23   4.315  -1.500  -3.802
  193    HA   PHE  23           HA       PHE  23   5.403  -3.618  -4.941
  194   1HB   PHE  23          2HB       PHE  23   4.190  -1.300  -6.084
  195   2HB   PHE  23          1HB       PHE  23   5.489  -1.819  -7.141
  196    HD1  PHE  23          1HD       PHE  23   4.136  -2.561  -8.913
  197    HD2  PHE  23          2HD       PHE  23   3.593  -4.089  -4.939
  198    HE1  PHE  23          1HE       PHE  23   2.659  -4.332  -9.799
  199    HE2  PHE  23          2HE       PHE  23   2.116  -5.867  -5.830
  200    HZ   PHE  23           HZ       PHE  23   1.664  -5.953  -8.249
  201    H    LEU  24           H        LEU  24   6.736  -0.665  -6.344
  202    HA   LEU  24           HA       LEU  24   9.235  -1.907  -7.025
  203   1HB   LEU  24          2HB       LEU  24   8.982   1.067  -6.705
  204   2HB   LEU  24          1HB       LEU  24   9.818   0.148  -7.957
  205    HG   LEU  24           HG       LEU  24   7.126  -0.621  -8.169
  206   1HD1  LEU  24          3HD1      LEU  24   7.379   2.072  -7.082
  207   2HD1  LEU  24          2HD1      LEU  24   6.574   2.076  -8.650
  208   3HD1  LEU  24          1HD1      LEU  24   5.929   1.100  -7.330
  209   1HD2  LEU  24          3HD2      LEU  24   8.966  -0.144  -9.916
  210   2HD2  LEU  24          2HD2      LEU  24   7.312   0.287 -10.353
  211   3HD2  LEU  24          1HD2      LEU  24   8.439   1.537  -9.826
  212    H    HIS  25           H        HIS  25   8.226   0.255  -4.367
  213    HA   HIS  25           HA       HIS  25  10.729   0.717  -3.183
  214   1HB   HIS  25          2HB       HIS  25   8.192   1.302  -2.456
  215   2HB   HIS  25          1HB       HIS  25   8.532  -0.004  -1.314
  216    HD1  HIS  25          1HD       HIS  25   8.823   3.527  -1.547
  217    HD2  HIS  25          2HD       HIS  25  11.336   0.531  -0.105
  218    HE1  HIS  25          1HE       HIS  25  10.494   4.665  -0.020
  219    H    HIS  26           H        HIS  26   8.723  -2.195  -3.050
  220    HA   HIS  26           HA       HIS  26  10.573  -3.512  -1.215
  221   1HB   HIS  26          2HB       HIS  26   7.914  -3.771  -1.592
  222   2HB   HIS  26          1HB       HIS  26   8.533  -5.094  -2.582
  223    HD1  HIS  26          1HD       HIS  26  10.035  -3.778   0.620
  224    HD2  HIS  26          2HD       HIS  26   8.261  -7.245  -0.852
  225    HE1  HIS  26          1HE       HIS  26  10.335  -5.531   2.401
  226    H    LEU  27           H        LEU  27   9.182  -4.580  -4.296
  227    HA   LEU  27           HA       LEU  27  11.025  -6.530  -4.972
  228   1HB   LEU  27          2HB       LEU  27   9.733  -4.552  -6.869
  229   2HB   LEU  27          1HB       LEU  27  10.417  -6.113  -7.322
  230    HG   LEU  27           HG       LEU  27   8.198  -5.803  -5.286
  231   1HD1  LEU  27          1HD1      LEU  27   8.027  -6.479  -8.239
  232   2HD1  LEU  27          3HD1      LEU  27   6.684  -6.548  -7.096
  233   3HD1  LEU  27          2HD1      LEU  27   7.434  -4.999  -7.485
  234   1HD2  LEU  27          1HD2      LEU  27   9.810  -7.883  -5.502
  235   2HD2  LEU  27          3HD2      LEU  27   8.074  -8.133  -5.315
  236   3HD2  LEU  27          2HD2      LEU  27   8.815  -8.253  -6.910
  237    H    ILE  28           H        ILE  28  11.423  -3.023  -5.345
  238    HA   ILE  28           HA       ILE  28  13.820  -3.176  -6.928
  239    HB   ILE  28           HB       ILE  28  12.304  -1.126  -6.506
  240   1HG1  ILE  28          2HG1      ILE  28  15.328  -0.964  -6.363
  241   2HG1  ILE  28          1HG1      ILE  28  14.335  -0.957  -7.821
  242   1HG2  ILE  28          1HG2      ILE  28  13.045  -1.557  -3.883
  243   2HG2  ILE  28          3HG2      ILE  28  14.126  -0.251  -4.371
  244   3HG2  ILE  28          2HG2      ILE  28  12.380  -0.049  -4.511
  245   1HD1  ILE  28          2HD1      ILE  28  14.057   1.141  -5.662
  246   2HD1  ILE  28          1HD1      ILE  28  15.162   1.326  -7.024
  247   3HD1  ILE  28          3HD1      ILE  28  13.426   1.191  -7.309
  248    H    ALA  29           H        ALA  29  13.217  -3.864  -3.631
  249    HA   ALA  29           HA       ALA  29  14.666  -4.257  -1.818
  250   1HB   ALA  29          1HB       ALA  29  15.619  -5.596  -4.113
  251   2HB   ALA  29          3HB       ALA  29  17.039  -4.866  -3.365
  252   3HB   ALA  29          2HB       ALA  29  16.015  -5.960  -2.435
  253    H    GLU  30           H        GLU  30  14.972  -2.179  -0.971
  254    HA   GLU  30           HA       GLU  30  17.332  -0.695  -2.028
  255   1HB   GLU  30          2HB       GLU  30  14.673   0.145  -1.191
  256   2HB   GLU  30          1HB       GLU  30  15.971   1.119  -0.502
  257   1HG   GLU  30          2HG       GLU  30  16.665   0.685  -3.203
  258   2HG   GLU  30          1HG       GLU  30  14.948   1.098  -3.206
  259    H    ILE  31           H        ILE  31  18.993  -1.397  -0.708
  260    HA   ILE  31           HA       ILE  31  18.508  -1.369   2.236
  261    HB   ILE  31           HB       ILE  31  21.133  -2.327   1.364
  262   1HG1  ILE  31          2HG1      ILE  31  19.862  -3.052  -0.621
  263   2HG1  ILE  31          1HG1      ILE  31  20.297  -4.442   0.374
  264   1HG2  ILE  31          2HG2      ILE  31  18.835  -3.450   2.986
  265   2HG2  ILE  31          1HG2      ILE  31  20.372  -4.285   2.772
  266   3HG2  ILE  31          3HG2      ILE  31  20.323  -2.727   3.598
  267   1HD1  ILE  31          1HD1      ILE  31  17.815  -3.473   1.356
  268   2HD1  ILE  31          3HD1      ILE  31  17.676  -3.548  -0.400
  269   3HD1  ILE  31          2HD1      ILE  31  18.121  -4.991   0.511
  270    H    HIS  32           H        HIS  32  18.980   0.639   3.030
  271    HA   HIS  32           HA       HIS  32  21.542   1.846   2.210
  272   1HB   HIS  32          2HB       HIS  32  18.824   3.103   2.298
  273   2HB   HIS  32          1HB       HIS  32  20.249   4.095   2.625
  274    HD1  HIS  32          1HD       HIS  32  22.038   4.278   0.684
  275    HD2  HIS  32          2HD       HIS  32  18.487   2.385  -0.403
  276    HE1  HIS  32          1HE       HIS  32  22.018   4.191  -1.846
  277    H    THR  33           H        THR  33  21.698   0.402   4.392
  278    HA   THR  33           HA       THR  33  21.665   2.412   6.588
  279    HB   THR  33           HB       THR  33  20.888  -0.457   7.102
  280    HG1  THR  33          1HG       THR  33  18.709   0.727   7.211
  281   1HG2  THR  33          1HG2      THR  33  21.573   1.555   8.796
  282   2HG2  THR  33          3HG2      THR  33  19.832   1.816   8.679
  283   3HG2  THR  33          2HG2      THR  33  20.457   0.259   9.224
  284    H    ALA  34           H        ALA  34  23.926   1.892   5.190
  285    HA   ALA  34           HA       ALA  34  25.505   0.264   7.126
  286   1HB   ALA  34          2HB       ALA  34  24.990  -0.473   4.451
  287   2HB   ALA  34          1HB       ALA  34  26.646   0.132   4.470
  288   3HB   ALA  34          3HB       ALA  34  26.178  -1.189   5.540
   
  No H/Q in entry =         288
  Start of MODEL   21
    1   1H    ALA   1          2HT       ALA   1 -11.318  -8.730  11.029
    2   2H    ALA   1          1HT       ALA   1 -12.918  -9.261  11.237
    3   3H    ALA   1          3HT       ALA   1 -11.633 -10.349  11.437
    4    HA   ALA   1           HA       ALA   1 -11.389 -10.713   9.249
    5   1HB   ALA   1          1HB       ALA   1 -13.959 -10.710   9.948
    6   2HB   ALA   1          3HB       ALA   1 -14.026  -9.372   8.800
    7   3HB   ALA   1          2HB       ALA   1 -13.474 -10.961   8.272
    8    H    VAL   2           H        VAL   2 -11.638  -9.734   6.934
    9    HA   VAL   2           HA       VAL   2  -9.986  -7.569   6.555
   10    HB   VAL   2           HB       VAL   2 -10.674  -8.793   4.630
   11   1HG1  VAL   2          1HG1      VAL   2 -13.373  -8.284   5.756
   12   2HG1  VAL   2          3HG1      VAL   2 -13.261  -8.302   3.996
   13   3HG1  VAL   2          2HG1      VAL   2 -12.748  -9.709   4.926
   14   1HG2  VAL   2          2HG2      VAL   2 -10.391  -6.248   4.393
   15   2HG2  VAL   2          1HG2      VAL   2 -11.262  -7.065   3.095
   16   3HG2  VAL   2          3HG2      VAL   2 -12.151  -6.169   4.327
   17    H    SER   3           H        SER   3 -10.195  -5.322   6.522
   18    HA   SER   3           HA       SER   3 -12.025  -4.078   8.267
   19   1HB   SER   3          2HB       SER   3 -11.358  -1.948   7.109
   20   2HB   SER   3          1HB       SER   3  -9.987  -2.947   7.598
   21    HG   SER   3           HG       SER   3 -10.423  -3.852   5.303
   22    H    GLU   4           H        GLU   4 -14.192  -3.920   8.049
   23    HA   GLU   4           HA       GLU   4 -15.652  -4.499   5.693
   24   1HB   GLU   4          2HB       GLU   4 -16.598  -4.450   8.011
   25   2HB   GLU   4          1HB       GLU   4 -16.526  -2.690   7.965
   26   1HG   GLU   4          2HG       GLU   4 -17.860  -2.987   5.715
   27   2HG   GLU   4          1HG       GLU   4 -18.284  -4.554   6.404
   28    H    HIS   5           H        HIS   5 -15.566  -1.254   7.177
   29    HA   HIS   5           HA       HIS   5 -16.457   0.239   5.048
   30   1HB   HIS   5          2HB       HIS   5 -14.759   0.765   7.344
   31   2HB   HIS   5          1HB       HIS   5 -14.457   1.856   5.992
   32    HD1  HIS   5          1HD       HIS   5 -16.777   2.922   4.932
   33    HD2  HIS   5          2HD       HIS   5 -16.957   1.469   8.833
   34    HE1  HIS   5          1HE       HIS   5 -18.848   3.939   5.978
   35    H    GLN   6           H        GLN   6 -13.027   0.868   5.433
   36    HA   GLN   6           HA       GLN   6 -11.501   1.228   3.663
   37   1HB   GLN   6          2HB       GLN   6 -12.182  -1.500   3.989
   38   2HB   GLN   6          1HB       GLN   6 -11.933  -1.195   2.267
   39   1HG   GLN   6          2HG       GLN   6  -9.982  -0.005   4.180
   40   2HG   GLN   6          1HG       GLN   6  -9.886  -1.747   3.910
   41   1HE2  GLN   6          2HE2      GLN   6  -7.730  -0.361   1.279
   42   2HE2  GLN   6          1HE2      GLN   6  -7.682  -0.633   2.962
   43    H    LEU   7           H        LEU   7 -11.704   0.262   0.966
   44    HA   LEU   7           HA       LEU   7 -12.616   1.199  -1.028
   45   1HB   LEU   7          2HB       LEU   7 -14.977  -0.034   0.411
   46   2HB   LEU   7          1HB       LEU   7 -15.055   0.538  -1.256
   47    HG   LEU   7           HG       LEU   7 -12.724  -1.158  -0.760
   48   1HD1  LEU   7          2HD1      LEU   7 -15.409  -2.031   0.131
   49   2HD1  LEU   7          1HD1      LEU   7 -14.555  -3.166  -0.916
   50   3HD1  LEU   7          3HD1      LEU   7 -13.817  -2.633   0.594
   51   1HD2  LEU   7          1HD2      LEU   7 -13.614  -0.447  -2.984
   52   2HD2  LEU   7          3HD2      LEU   7 -13.508  -2.200  -2.829
   53   3HD2  LEU   7          2HD2      LEU   7 -15.069  -1.395  -2.673
   54    H    LEU   8           H        LEU   8 -15.454   1.812   1.091
   55    HA   LEU   8           HA       LEU   8 -15.815   4.432   0.086
   56   1HB   LEU   8          2HB       LEU   8 -17.721   3.422   0.988
   57   2HB   LEU   8          1HB       LEU   8 -16.835   2.852   2.393
   58    HG   LEU   8           HG       LEU   8 -16.709   5.031   3.333
   59   1HD1  LEU   8          1HD1      LEU   8 -16.968   5.780   0.572
   60   2HD1  LEU   8          3HD1      LEU   8 -18.163   6.659   1.528
   61   3HD1  LEU   8          2HD1      LEU   8 -16.449   6.772   1.934
   62   1HD2  LEU   8          3HD2      LEU   8 -19.357   4.170   2.253
   63   2HD2  LEU   8          2HD2      LEU   8 -18.828   4.325   3.929
   64   3HD2  LEU   8          1HD2      LEU   8 -19.261   5.763   3.004
   65    H    HIS   9           H        HIS   9 -14.329   3.052   2.963
   66    HA   HIS   9           HA       HIS   9 -13.494   5.589   4.043
   67   1HB   HIS   9          2HB       HIS   9 -13.924   3.921   5.629
   68   2HB   HIS   9          1HB       HIS   9 -13.018   2.695   4.741
   69    HD1  HIS   9          1HD       HIS   9 -10.832   2.236   5.899
   70    HD2  HIS   9          2HD       HIS   9 -12.044   6.179   6.249
   71    HE1  HIS   9          1HE       HIS   9  -9.023   3.404   7.239
   72    H    ASP  10           H        ASP  10 -12.478   4.044   1.383
   73    HA   ASP  10           HA       ASP  10 -10.321   3.565   0.440
   74   1HB   ASP  10          2HB       ASP  10 -11.178   5.487  -0.600
   75   2HB   ASP  10          1HB       ASP  10 -10.889   6.480   0.825
   76    H    LYS  11           H        LYS  11  -9.734   2.814   2.945
   77    HA   LYS  11           HA       LYS  11  -7.914   4.430   4.403
   78   1HB   LYS  11          2HB       LYS  11  -8.993   2.346   5.281
   79   2HB   LYS  11          1HB       LYS  11  -7.933   1.404   4.226
   80   1HG   LYS  11          2HG       LYS  11  -6.198   3.149   5.540
   81   2HG   LYS  11          1HG       LYS  11  -7.341   2.659   6.793
   82   1HD   LYS  11          2HD       LYS  11  -6.581   0.519   6.818
   83   2HD   LYS  11          1HD       LYS  11  -6.439   0.452   5.060
   84   1HE   LYS  11          2HE       LYS  11  -4.335   1.657   5.126
   85   2HE   LYS  11          1HE       LYS  11  -4.500   1.934   6.860
   86   1HZ   LYS  11          3HZ       LYS  11  -4.709  -0.833   6.130
   87   2HZ   LYS  11          2HZ       LYS  11  -3.209  -0.154   5.714
   88   3HZ   LYS  11          1HZ       LYS  11  -3.753  -0.096   7.323
   89    H    GLY  12           H        GLY  12  -7.491   2.254   1.666
   90   1HA   GLY  12          2HA       GLY  12  -5.011   3.497   0.900
   91   2HA   GLY  12          1HA       GLY  12  -4.734   1.893   1.597
   92    H    LYS  13           H        LYS  13  -7.577   2.933  -0.201
   93    HA   LYS  13           HA       LYS  13  -8.638   1.779  -1.956
   94   1HB   LYS  13          2HB       LYS  13  -6.096   2.960  -2.634
   95   2HB   LYS  13          1HB       LYS  13  -6.751   1.854  -3.849
   96   1HG   LYS  13          2HG       LYS  13  -8.829   3.555  -2.742
   97   2HG   LYS  13          1HG       LYS  13  -7.526   4.518  -3.453
   98   1HD   LYS  13          2HD       LYS  13  -8.970   2.220  -4.788
   99   2HD   LYS  13          1HD       LYS  13  -9.176   3.937  -5.175
  100   1HE   LYS  13          2HE       LYS  13  -6.385   3.277  -5.132
  101   2HE   LYS  13          1HE       LYS  13  -7.229   2.161  -6.209
  102   1HZ   LYS  13          2HZ       LYS  13  -7.975   4.966  -6.418
  103   2HZ   LYS  13          1HZ       LYS  13  -6.418   4.571  -6.968
  104   3HZ   LYS  13          3HZ       LYS  13  -7.773   3.803  -7.640
  105    H    SER  14           H        SER  14  -8.497  -0.187  -0.560
  106    HA   SER  14           HA       SER  14  -7.991  -2.475  -0.465
  107   1HB   SER  14          2HB       SER  14  -8.394  -1.828  -3.189
  108   2HB   SER  14          1HB       SER  14  -6.895  -2.756  -3.134
  109    HG   SER  14           HG       SER  14  -9.238  -3.760  -3.137
  110    H    ILE  15           H        ILE  15  -6.270  -2.343   0.956
  111    HA   ILE  15           HA       ILE  15  -3.865  -1.130   0.629
  112    HB   ILE  15           HB       ILE  15  -4.740  -3.483   2.092
  113   1HG1  ILE  15          2HG1      ILE  15  -4.073  -0.832   2.491
  114   2HG1  ILE  15          1HG1      ILE  15  -4.377  -2.000   3.764
  115   1HG2  ILE  15          2HG2      ILE  15  -2.746  -4.465   0.962
  116   2HG2  ILE  15          1HG2      ILE  15  -1.772  -3.128   1.574
  117   3HG2  ILE  15          3HG2      ILE  15  -2.497  -4.278   2.698
  118   1HD1  ILE  15          2HD1      ILE  15  -1.653  -1.567   2.496
  119   2HD1  ILE  15          1HD1      ILE  15  -2.182  -0.729   3.958
  120   3HD1  ILE  15          3HD1      ILE  15  -2.011  -2.485   3.962
  121    H    GLN  16           H        GLN  16  -5.039  -3.885  -1.022
  122    HA   GLN  16           HA       GLN  16  -3.075  -5.108  -2.466
  123   1HB   GLN  16          2HB       GLN  16  -5.244  -3.551  -3.909
  124   2HB   GLN  16          1HB       GLN  16  -4.631  -5.170  -4.287
  125   1HG   GLN  16          2HG       GLN  16  -6.488  -4.317  -2.063
  126   2HG   GLN  16          1HG       GLN  16  -6.770  -5.524  -3.317
  127   1HE2  GLN  16          2HE2      GLN  16  -5.330  -6.797   0.143
  128   2HE2  GLN  16          1HE2      GLN  16  -6.190  -5.352  -0.087
  129    H    ASP  17           H        ASP  17  -4.212  -1.756  -2.689
  130    HA   ASP  17           HA       ASP  17  -2.129  -1.127  -4.699
  131   1HB   ASP  17          2HB       ASP  17  -4.354   0.488  -3.438
  132   2HB   ASP  17          1HB       ASP  17  -3.132   1.228  -4.474
  133    H    LEU  18           H        LEU  18  -2.900  -0.205  -1.313
  134    HA   LEU  18           HA       LEU  18  -0.733   1.549  -0.878
  135   1HB   LEU  18          2HB       LEU  18  -2.504   0.062   0.775
  136   2HB   LEU  18          1HB       LEU  18  -0.874  -0.334   1.314
  137    HG   LEU  18           HG       LEU  18  -1.732   1.649   2.501
  138   1HD1  LEU  18          2HD1      LEU  18   0.675   1.532   0.895
  139   2HD1  LEU  18          1HD1      LEU  18   0.140   3.204   1.078
  140   3HD1  LEU  18          3HD1      LEU  18   0.450   2.215   2.505
  141   1HD2  LEU  18          3HD2      LEU  18  -3.061   2.259   0.255
  142   2HD2  LEU  18          2HD2      LEU  18  -2.614   3.498   1.428
  143   3HD2  LEU  18          1HD2      LEU  18  -1.632   3.255  -0.018
  144    H    ARG  19           H        ARG  19  -0.906  -1.843  -1.465
  145    HA   ARG  19           HA       ARG  19   1.787  -2.588  -0.760
  146   1HB   ARG  19          2HB       ARG  19   0.353  -4.417  -0.930
  147   2HB   ARG  19          1HB       ARG  19  -0.547  -3.711  -2.264
  148   1HG   ARG  19          2HG       ARG  19   1.418  -4.119  -3.753
  149   2HG   ARG  19          1HG       ARG  19   2.206  -4.970  -2.419
  150   1HD   ARG  19          2HD       ARG  19  -0.106  -5.793  -4.103
  151   2HD   ARG  19          1HD       ARG  19   1.177  -6.780  -3.402
  152    HE   ARG  19           HE       ARG  19  -1.288  -5.895  -1.990
  153   1HH1  ARG  19          1HH1      ARG  19   1.895  -6.978  -1.512
  154   2HH1  ARG  19          2HH1      ARG  19   1.474  -8.213  -0.374
  155   1HH2  ARG  19          1HH2      ARG  19  -1.942  -7.785  -0.770
  156   2HH2  ARG  19          2HH2      ARG  19  -0.697  -8.672   0.043
  157    H    ARG  20           H        ARG  20   0.143  -1.753  -3.834
  158    HA   ARG  20           HA       ARG  20   2.490  -1.969  -5.430
  159   1HB   ARG  20          2HB       ARG  20   1.267  -0.920  -7.166
  160   2HB   ARG  20          1HB       ARG  20   0.085  -1.836  -6.230
  161   1HG   ARG  20          2HG       ARG  20  -0.845   0.088  -5.281
  162   2HG   ARG  20          1HG       ARG  20   0.610   1.048  -5.549
  163   1HD   ARG  20          2HD       ARG  20  -0.741  -0.056  -7.960
  164   2HD   ARG  20          1HD       ARG  20  -1.552   1.271  -7.124
  165    HE   ARG  20           HE       ARG  20   1.287   1.503  -8.040
  166   1HH1  ARG  20          1HH1      ARG  20  -1.786   2.257  -9.048
  167   2HH1  ARG  20          2HH1      ARG  20  -1.540   3.967  -9.159
  168   1HH2  ARG  20          1HH2      ARG  20   1.557   3.887  -7.598
  169   2HH2  ARG  20          2HH2      ARG  20   0.352   4.891  -8.332
  170    H    ARG  21           H        ARG  21   1.568   0.348  -3.108
  171    HA   ARG  21           HA       ARG  21   3.158   2.541  -4.194
  172   1HB   ARG  21          2HB       ARG  21   1.448   2.085  -1.906
  173   2HB   ARG  21          1HB       ARG  21   3.005   2.717  -1.349
  174   1HG   ARG  21          2HG       ARG  21   2.078   4.743  -1.857
  175   2HG   ARG  21          1HG       ARG  21   2.550   4.324  -3.505
  176   1HD   ARG  21          2HD       ARG  21   0.288   4.848  -3.776
  177   2HD   ARG  21          1HD       ARG  21   0.231   3.098  -3.570
  178    HE   ARG  21           HE       ARG  21  -0.062   3.944  -1.001
  179   1HH1  ARG  21          1HH1      ARG  21  -1.781   5.131  -0.058
  180   2HH1  ARG  21          2HH1      ARG  21  -3.145   5.536  -1.044
  181   1HH2  ARG  21          1HH2      ARG  21  -1.702   4.382  -3.979
  182   2HH2  ARG  21          2HH2      ARG  21  -3.100   5.113  -3.264
  183    H    PHE  22           H        PHE  22   3.564  -0.302  -2.264
  184    HA   PHE  22           HA       PHE  22   6.400   0.300  -1.736
  185   1HB   PHE  22          2HB       PHE  22   4.730  -2.035  -0.903
  186   2HB   PHE  22          1HB       PHE  22   6.354  -1.671  -0.324
  187    HD1  PHE  22          1HD       PHE  22   3.064  -1.504   0.578
  188    HD2  PHE  22          2HD       PHE  22   6.515   1.019   0.222
  189    HE1  PHE  22          1HE       PHE  22   2.060   0.098   2.172
  190    HE2  PHE  22          2HE       PHE  22   5.515   2.615   1.822
  191    HZ   PHE  22           HZ       PHE  22   3.299   2.138   2.760
  192    H    PHE  23           H        PHE  23   4.282  -1.459  -3.795
  193    HA   PHE  23           HA       PHE  23   5.262  -3.678  -4.855
  194   1HB   PHE  23          2HB       PHE  23   4.123  -1.356  -6.070
  195   2HB   PHE  23          1HB       PHE  23   5.378  -1.974  -7.128
  196    HD1  PHE  23          1HD       PHE  23   3.962  -2.740  -8.840
  197    HD2  PHE  23          2HD       PHE  23   3.431  -4.057  -4.792
  198    HE1  PHE  23          1HE       PHE  23   2.397  -4.484  -9.618
  199    HE2  PHE  23          2HE       PHE  23   1.865  -5.811  -5.572
  200    HZ   PHE  23           HZ       PHE  23   1.365  -5.991  -7.977
  201    H    LEU  24           H        LEU  24   6.725  -0.790  -6.317
  202    HA   LEU  24           HA       LEU  24   9.159  -2.166  -6.994
  203   1HB   LEU  24          2HB       LEU  24   8.716   0.828  -6.718
  204   2HB   LEU  24          1HB       LEU  24   9.999   0.034  -7.632
  205    HG   LEU  24           HG       LEU  24   7.460  -1.028  -8.463
  206   1HD1  LEU  24          3HD1      LEU  24   7.731   1.993  -8.548
  207   2HD1  LEU  24          2HD1      LEU  24   6.535   1.067  -9.454
  208   3HD1  LEU  24          1HD1      LEU  24   6.489   1.081  -7.691
  209   1HD2  LEU  24          2HD2      LEU  24   9.943  -0.293  -9.534
  210   2HD2  LEU  24          1HD2      LEU  24   8.583  -0.978 -10.423
  211   3HD2  LEU  24          3HD2      LEU  24   8.785   0.772 -10.331
  212    H    HIS  25           H        HIS  25   8.225   0.056  -4.358
  213    HA   HIS  25           HA       HIS  25  10.670   0.432  -3.075
  214   1HB   HIS  25          2HB       HIS  25   8.065   0.877  -2.377
  215   2HB   HIS  25          1HB       HIS  25   8.496  -0.416  -1.254
  216    HD1  HIS  25          1HD       HIS  25   9.166   3.163  -2.039
  217    HD2  HIS  25          2HD       HIS  25  10.626   0.256   0.568
  218    HE1  HIS  25          1HE       HIS  25  10.566   4.383  -0.318
  219    H    HIS  26           H        HIS  26   8.633  -2.460  -3.054
  220    HA   HIS  26           HA       HIS  26  10.326  -3.932  -1.239
  221   1HB   HIS  26          2HB       HIS  26   7.784  -4.247  -1.911
  222   2HB   HIS  26          1HB       HIS  26   8.516  -5.328  -3.098
  223    HD1  HIS  26          1HD       HIS  26   9.672  -4.655   0.430
  224    HD2  HIS  26          2HD       HIS  26   8.247  -7.815  -1.879
  225    HE1  HIS  26          1HE       HIS  26   9.928  -6.726   1.834
  226    H    LEU  27           H        LEU  27   9.847  -3.901  -4.761
  227    HA   LEU  27           HA       LEU  27  11.891  -5.965  -5.146
  228   1HB   LEU  27          2HB       LEU  27  10.610  -4.223  -7.260
  229   2HB   LEU  27          1HB       LEU  27  11.360  -5.806  -7.475
  230    HG   LEU  27           HG       LEU  27   9.065  -5.530  -5.564
  231   1HD1  LEU  27          3HD1      LEU  27   8.577  -4.461  -7.899
  232   2HD1  LEU  27          2HD1      LEU  27   8.597  -6.127  -8.478
  233   3HD1  LEU  27          1HD1      LEU  27   7.433  -5.635  -7.247
  234   1HD2  LEU  27          3HD2      LEU  27  10.618  -7.614  -6.123
  235   2HD2  LEU  27          2HD2      LEU  27   8.888  -7.826  -5.854
  236   3HD2  LEU  27          1HD2      LEU  27   9.525  -7.773  -7.498
  237    H    ILE  28           H        ILE  28  12.218  -2.820  -4.306
  238    HA   ILE  28           HA       ILE  28  14.564  -2.410  -6.111
  239    HB   ILE  28           HB       ILE  28  14.407  -0.047  -5.614
  240   1HG1  ILE  28          2HG1      ILE  28  12.151  -0.799  -3.726
  241   2HG1  ILE  28          1HG1      ILE  28  13.765  -0.296  -3.224
  242   1HG2  ILE  28          1HG2      ILE  28  12.236  -1.584  -6.740
  243   2HG2  ILE  28          3HG2      ILE  28  11.606  -0.121  -5.983
  244   3HG2  ILE  28          2HG2      ILE  28  12.845  -0.003  -7.234
  245   1HD1  ILE  28          2HD1      ILE  28  13.311   1.797  -4.716
  246   2HD1  ILE  28          1HD1      ILE  28  11.618   1.330  -4.562
  247   3HD1  ILE  28          3HD1      ILE  28  12.562   1.712  -3.121
  248    H    ALA  29           H        ALA  29  13.526  -2.287  -2.712
  249    HA   ALA  29           HA       ALA  29  15.681  -3.472  -1.514
  250   1HB   ALA  29          3HB       ALA  29  16.468  -0.888  -2.628
  251   2HB   ALA  29          2HB       ALA  29  16.772  -0.985  -0.894
  252   3HB   ALA  29          1HB       ALA  29  17.479  -2.180  -1.981
  253    H    GLU  30           H        GLU  30  13.781  -3.792  -0.157
  254    HA   GLU  30           HA       GLU  30  12.318  -1.772   1.152
  255   1HB   GLU  30          2HB       GLU  30  11.829  -3.467   2.883
  256   2HB   GLU  30          1HB       GLU  30  11.715  -4.167   1.265
  257   1HG   GLU  30          2HG       GLU  30  14.316  -4.654   1.738
  258   2HG   GLU  30          1HG       GLU  30  13.730  -4.655   3.406
  259    H    ILE  31           H        ILE  31  12.676  -0.524   2.970
  260    HA   ILE  31           HA       ILE  31  15.106  -0.982   4.584
  261    HB   ILE  31           HB       ILE  31  15.408   1.675   4.229
  262   1HG1  ILE  31          2HG1      ILE  31  15.200   2.128   1.775
  263   2HG1  ILE  31          1HG1      ILE  31  14.355   0.590   1.599
  264   1HG2  ILE  31          2HG2      ILE  31  17.044  -0.277   3.927
  265   2HG2  ILE  31          1HG2      ILE  31  16.552  -0.282   2.233
  266   3HG2  ILE  31          3HG2      ILE  31  17.324   1.145   2.923
  267   1HD1  ILE  31          3HD1      ILE  31  13.458   2.853   3.408
  268   2HD1  ILE  31          2HD1      ILE  31  12.787   2.517   1.811
  269   3HD1  ILE  31          1HD1      ILE  31  12.594   1.344   3.115
  270    H    HIS  32           H        HIS  32  13.726  -1.282   6.372
  271    HA   HIS  32           HA       HIS  32  12.366  -0.632   8.170
  272   1HB   HIS  32          2HB       HIS  32  14.271   1.232   7.979
  273   2HB   HIS  32          1HB       HIS  32  12.886   2.250   7.571
  274    HD1  HIS  32          1HD       HIS  32  12.114   3.413   9.629
  275    HD2  HIS  32          2HD       HIS  32  13.278  -0.506  10.442
  276    HE1  HIS  32          1HE       HIS  32  11.646   3.022  12.088
  277    H    THR  33           H        THR  33  10.791  -1.231   6.122
  278    HA   THR  33           HA       THR  33   9.015   1.108   5.627
  279    HB   THR  33           HB       THR  33   9.131  -1.630   4.327
  280    HG1  THR  33          1HG       THR  33  10.048   0.934   3.718
  281   1HG2  THR  33          1HG2      THR  33   6.816  -0.703   4.488
  282   2HG2  THR  33          3HG2      THR  33   7.372   0.741   3.644
  283   3HG2  THR  33          2HG2      THR  33   7.394  -0.821   2.826
  284    H    ALA  34           H        ALA  34   7.117   1.250   6.718
  285    HA   ALA  34           HA       ALA  34   5.384  -0.877   7.370
  286   1HB   ALA  34          1HB       ALA  34   7.666  -0.642   9.155
  287   2HB   ALA  34          3HB       ALA  34   6.152  -0.392  10.025
  288   3HB   ALA  34          2HB       ALA  34   6.409  -1.879   9.113
   
  No H/Q in entry =         288
  Start of MODEL   22
    1   1H    ALA   1          3HT       ALA   1  -2.192  17.501   9.366
    2   2H    ALA   1          2HT       ALA   1  -3.477  18.000   8.374
    3   3H    ALA   1          1HT       ALA   1  -3.658  17.988  10.063
    4    HA   ALA   1           HA       ALA   1  -4.773  16.078   9.431
    5   1HB   ALA   1          2HB       ALA   1  -2.953  16.266   7.192
    6   2HB   ALA   1          1HB       ALA   1  -2.962  14.622   7.830
    7   3HB   ALA   1          3HB       ALA   1  -4.470  15.376   7.312
    8    H    VAL   2           H        VAL   2  -4.588  14.254  10.721
    9    HA   VAL   2           HA       VAL   2  -2.746  14.047  12.754
   10    HB   VAL   2           HB       VAL   2  -4.815  12.626  12.445
   11   1HG1  VAL   2          2HG1      VAL   2  -4.235  11.912  10.114
   12   2HG1  VAL   2          1HG1      VAL   2  -2.929  10.931  10.780
   13   3HG1  VAL   2          3HG1      VAL   2  -4.606  10.556  11.179
   14   1HG2  VAL   2          1HG2      VAL   2  -2.834  12.220  14.094
   15   2HG2  VAL   2          3HG2      VAL   2  -3.991  10.915  13.837
   16   3HG2  VAL   2          2HG2      VAL   2  -2.427  10.879  13.024
   17    H    SER   3           H        SER   3  -2.303  13.063   9.415
   18    HA   SER   3           HA       SER   3   0.557  12.537  10.038
   19   1HB   SER   3          2HB       SER   3  -0.237  10.312   9.974
   20   2HB   SER   3          1HB       SER   3  -1.369  10.663   8.666
   21    HG   SER   3           HG       SER   3   1.463  10.780   8.460
   22    H    GLU   4           H        GLU   4   1.959  13.023   8.290
   23    HA   GLU   4           HA       GLU   4   0.915  14.943   6.374
   24   1HB   GLU   4          2HB       GLU   4   3.258  14.904   7.446
   25   2HB   GLU   4          1HB       GLU   4   3.644  13.653   6.266
   26   1HG   GLU   4          2HG       GLU   4   2.290  15.920   5.034
   27   2HG   GLU   4          1HG       GLU   4   3.782  16.407   5.842
   28    H    HIS   5           H        HIS   5   2.661  11.850   5.896
   29    HA   HIS   5           HA       HIS   5   2.190  11.568   3.165
   30   1HB   HIS   5          2HB       HIS   5   3.166   9.938   5.238
   31   2HB   HIS   5          1HB       HIS   5   1.930   9.008   4.390
   32    HD1  HIS   5          1HD       HIS   5   2.260   8.807   1.727
   33    HD2  HIS   5          2HD       HIS   5   5.550  10.211   3.860
   34    HE1  HIS   5          1HE       HIS   5   4.254   8.602   0.179
   35    H    GLN   6           H        GLN   6  -0.113  11.362   5.728
   36    HA   GLN   6           HA       GLN   6  -2.040   9.652   4.662
   37   1HB   GLN   6          2HB       GLN   6  -2.025  11.891   6.490
   38   2HB   GLN   6          1HB       GLN   6  -3.505  11.856   5.533
   39   1HG   GLN   6          2HG       GLN   6  -2.381   9.475   7.031
   40   2HG   GLN   6          1HG       GLN   6  -3.665  10.516   7.646
   41   1HE2  GLN   6          2HE2      GLN   6  -5.836   8.152   6.086
   42   2HE2  GLN   6          1HE2      GLN   6  -5.202   8.692   7.575
   43    H    LEU   7           H        LEU   7  -4.180  10.622   3.531
   44    HA   LEU   7           HA       LEU   7  -5.058  11.652   1.599
   45   1HB   LEU   7          2HB       LEU   7  -3.022  13.527   2.566
   46   2HB   LEU   7          1HB       LEU   7  -3.163  13.552   0.809
   47    HG   LEU   7           HG       LEU   7  -5.519  13.765   2.700
   48   1HD1  LEU   7          2HD1      LEU   7  -3.540  15.719   1.949
   49   2HD1  LEU   7          1HD1      LEU   7  -5.098  16.167   1.255
   50   3HD1  LEU   7          3HD1      LEU   7  -4.945  15.921   2.995
   51   1HD2  LEU   7          2HD2      LEU   7  -5.901  12.876   0.365
   52   2HD2  LEU   7          1HD2      LEU   7  -6.758  14.378   0.713
   53   3HD2  LEU   7          3HD2      LEU   7  -5.284  14.408  -0.255
   54    H    LEU   8           H        LEU   8  -1.476  11.860   1.159
   55    HA   LEU   8           HA       LEU   8  -1.613  10.710  -1.428
   56   1HB   LEU   8          2HB       LEU   8   0.293  12.037  -0.940
   57   2HB   LEU   8          1HB       LEU   8   0.563  11.173   0.567
   58    HG   LEU   8           HG       LEU   8   1.212   9.186  -0.571
   59   1HD1  LEU   8          3HD1      LEU   8  -0.323  10.428  -2.691
   60   2HD1  LEU   8          2HD1      LEU   8   1.232   9.849  -3.298
   61   3HD1  LEU   8          1HD1      LEU   8   0.125   8.734  -2.494
   62   1HD2  LEU   8          1HD2      LEU   8   2.730  11.389  -0.595
   63   2HD2  LEU   8          3HD2      LEU   8   3.258   9.903  -1.385
   64   3HD2  LEU   8          2HD2      LEU   8   2.537  11.200  -2.338
   65    H    HIS   9           H        HIS   9  -1.355   9.644   1.843
   66    HA   HIS   9           HA       HIS   9  -0.972   6.848   1.096
   67   1HB   HIS   9          2HB       HIS   9   0.418   7.633   2.861
   68   2HB   HIS   9          1HB       HIS   9  -0.946   8.321   3.740
   69    HD1  HIS   9          1HD       HIS   9  -1.106   6.794   5.788
   70    HD2  HIS   9          2HD       HIS   9  -0.637   4.773   2.212
   71    HE1  HIS   9          1HE       HIS   9  -1.357   4.330   6.348
   72    H    ASP  10           H        ASP  10  -3.462   8.059   0.373
   73    HA   ASP  10           HA       ASP  10  -5.707   8.045   1.826
   74   1HB   ASP  10          2HB       ASP  10  -5.828   8.007  -0.587
   75   2HB   ASP  10          1HB       ASP  10  -5.218   6.347  -0.631
   76    H    LYS  11           H        LYS  11  -5.548   6.915   3.829
   77    HA   LYS  11           HA       LYS  11  -4.800   4.269   4.264
   78   1HB   LYS  11          2HB       LYS  11  -5.707   6.179   5.890
   79   2HB   LYS  11          1HB       LYS  11  -7.212   5.268   5.717
   80   1HG   LYS  11          2HG       LYS  11  -4.542   4.104   6.568
   81   2HG   LYS  11          1HG       LYS  11  -5.897   4.452   7.643
   82   1HD   LYS  11          2HD       LYS  11  -7.291   2.928   6.117
   83   2HD   LYS  11          1HD       LYS  11  -5.755   2.397   5.434
   84   1HE   LYS  11          2HE       LYS  11  -6.641   0.973   7.348
   85   2HE   LYS  11          1HE       LYS  11  -4.995   1.572   7.552
   86   1HZ   LYS  11          1HZ       LYS  11  -7.134   3.283   8.534
   87   2HZ   LYS  11          3HZ       LYS  11  -6.867   1.848   9.399
   88   3HZ   LYS  11          2HZ       LYS  11  -5.602   2.966   9.197
   89    H    GLY  12           H        GLY  12  -5.510   2.976   2.465
   90   1HA   GLY  12          2HA       GLY  12  -7.519   1.237   2.627
   91   2HA   GLY  12          1HA       GLY  12  -8.419   2.659   2.066
   92    H    LYS  13           H        LYS  13  -8.034   3.440  -0.072
   93    HA   LYS  13           HA       LYS  13  -7.702   2.814  -2.380
   94   1HB   LYS  13          2HB       LYS  13  -5.332   3.599  -0.917
   95   2HB   LYS  13          1HB       LYS  13  -4.972   2.740  -2.417
   96   1HG   LYS  13          2HG       LYS  13  -7.041   4.899  -2.471
   97   2HG   LYS  13          1HG       LYS  13  -5.343   5.376  -2.394
   98   1HD   LYS  13          2HD       LYS  13  -4.931   4.693  -4.508
   99   2HD   LYS  13          1HD       LYS  13  -5.869   3.216  -4.300
  100   1HE   LYS  13          2HE       LYS  13  -7.718   5.369  -4.258
  101   2HE   LYS  13          1HE       LYS  13  -6.642   5.649  -5.627
  102   1HZ   LYS  13          3HZ       LYS  13  -7.027   3.230  -6.184
  103   2HZ   LYS  13          2HZ       LYS  13  -8.306   3.268  -5.068
  104   3HZ   LYS  13          1HZ       LYS  13  -8.339   4.276  -6.434
  105    H    SER  14           H        SER  14  -8.307   0.634  -0.840
  106    HA   SER  14           HA       SER  14  -8.012  -1.686  -0.842
  107   1HB   SER  14          2HB       SER  14  -6.735  -1.989  -3.383
  108   2HB   SER  14          1HB       SER  14  -8.414  -2.343  -2.967
  109    HG   SER  14           HG       SER  14  -8.847  -0.698  -4.196
  110    H    ILE  15           H        ILE  15  -6.388  -1.701   0.762
  111    HA   ILE  15           HA       ILE  15  -3.733  -1.046   0.707
  112    HB   ILE  15           HB       ILE  15  -3.485  -3.613   1.648
  113   1HG1  ILE  15          2HG1      ILE  15  -5.474  -4.069   2.877
  114   2HG1  ILE  15          1HG1      ILE  15  -6.266  -2.626   2.292
  115   1HG2  ILE  15          3HG2      ILE  15  -3.659  -0.934   2.648
  116   2HG2  ILE  15          2HG2      ILE  15  -4.529  -2.012   3.741
  117   3HG2  ILE  15          1HG2      ILE  15  -2.835  -2.322   3.362
  118   1HD1  ILE  15          3HD1      ILE  15  -5.198  -4.550   0.283
  119   2HD1  ILE  15          2HD1      ILE  15  -6.629  -5.054   1.179
  120   3HD1  ILE  15          1HD1      ILE  15  -6.665  -3.573   0.222
  121    H    GLN  16           H        GLN  16  -5.324  -3.444  -1.179
  122    HA   GLN  16           HA       GLN  16  -3.462  -5.008  -2.478
  123   1HB   GLN  16          2HB       GLN  16  -5.272  -3.152  -4.054
  124   2HB   GLN  16          1HB       GLN  16  -4.915  -4.859  -4.372
  125   1HG   GLN  16          2HG       GLN  16  -6.767  -3.651  -2.314
  126   2HG   GLN  16          1HG       GLN  16  -7.137  -4.851  -3.554
  127   1HE2  GLN  16          2HE2      GLN  16  -6.797  -6.666  -0.305
  128   2HE2  GLN  16          1HE2      GLN  16  -7.825  -5.454  -0.902
  129    H    ASP  17           H        ASP  17  -4.001  -1.562  -2.466
  130    HA   ASP  17           HA       ASP  17  -1.902  -1.057  -4.510
  131   1HB   ASP  17          2HB       ASP  17  -3.501   0.931  -2.859
  132   2HB   ASP  17          1HB       ASP  17  -2.549   1.287  -4.300
  133    H    LEU  18           H        LEU  18  -2.464  -0.453  -1.006
  134    HA   LEU  18           HA       LEU  18  -0.094   0.883  -0.332
  135   1HB   LEU  18          2HB       LEU  18  -1.900  -0.983   1.036
  136   2HB   LEU  18          1HB       LEU  18  -0.235  -1.131   1.596
  137    HG   LEU  18           HG       LEU  18  -1.461   0.554   2.914
  138   1HD1  LEU  18          3HD1      LEU  18   0.938   1.083   1.320
  139   2HD1  LEU  18          2HD1      LEU  18   0.123   2.560   1.833
  140   3HD1  LEU  18          1HD1      LEU  18   0.641   1.378   3.033
  141   1HD2  LEU  18          2HD2      LEU  18  -2.851   1.132   0.721
  142   2HD2  LEU  18          1HD2      LEU  18  -2.591   2.347   1.974
  143   3HD2  LEU  18          3HD2      LEU  18  -1.591   2.351   0.522
  144    H    ARG  19           H        ARG  19  -0.677  -2.359  -1.374
  145    HA   ARG  19           HA       ARG  19   1.948  -3.477  -0.990
  146   1HB   ARG  19          2HB       ARG  19   0.284  -5.084  -1.411
  147   2HB   ARG  19          1HB       ARG  19  -0.526  -4.068  -2.591
  148   1HG   ARG  19          2HG       ARG  19   1.422  -4.416  -4.143
  149   2HG   ARG  19          1HG       ARG  19   2.054  -5.603  -2.998
  150   1HD   ARG  19          2HD       ARG  19  -0.378  -5.738  -4.737
  151   2HD   ARG  19          1HD       ARG  19   0.827  -6.984  -4.406
  152    HE   ARG  19           HE       ARG  19  -1.279  -6.167  -2.442
  153   1HH1  ARG  19          1HH1      ARG  19  -2.536  -8.300  -2.570
  154   2HH1  ARG  19          2HH1      ARG  19  -1.574  -9.691  -2.196
  155   1HH2  ARG  19          1HH2      ARG  19   1.446  -8.021  -2.530
  156   2HH2  ARG  19          2HH2      ARG  19   0.680  -9.533  -2.176
  157    H    ARG  20           H        ARG  20   0.282  -2.404  -3.952
  158    HA   ARG  20           HA       ARG  20   2.576  -2.244  -5.578
  159   1HB   ARG  20          2HB       ARG  20   0.040  -1.976  -6.147
  160   2HB   ARG  20          1HB       ARG  20   0.344  -0.278  -5.811
  161   1HG   ARG  20          2HG       ARG  20   2.238  -1.699  -7.621
  162   2HG   ARG  20          1HG       ARG  20   0.657  -1.256  -8.263
  163   1HD   ARG  20          2HD       ARG  20   2.289   0.775  -6.762
  164   2HD   ARG  20          1HD       ARG  20   2.629   0.453  -8.463
  165    HE   ARG  20           HE       ARG  20   0.122   1.633  -7.397
  166   1HH1  ARG  20          1HH1      ARG  20  -1.058   0.273  -9.487
  167   2HH1  ARG  20          2HH1      ARG  20  -0.648   1.127 -10.937
  168   1HH2  ARG  20          1HH2      ARG  20   2.002   2.838  -9.500
  169   2HH2  ARG  20          2HH2      ARG  20   1.079   2.582 -10.944
  170    H    ARG  21           H        ARG  21   1.175   0.110  -3.296
  171    HA   ARG  21           HA       ARG  21   2.819   2.345  -3.891
  172   1HB   ARG  21          2HB       ARG  21   1.416   1.299  -1.479
  173   2HB   ARG  21          1HB       ARG  21   2.752   2.403  -1.156
  174   1HG   ARG  21          2HG       ARG  21   1.742   4.171  -2.333
  175   2HG   ARG  21          1HG       ARG  21   0.659   3.089  -3.210
  176   1HD   ARG  21          2HD       ARG  21   0.427   3.059  -0.248
  177   2HD   ARG  21          1HD       ARG  21  -0.134   4.520  -1.058
  178    HE   ARG  21           HE       ARG  21  -1.278   1.799  -1.419
  179   1HH1  ARG  21          1HH1      ARG  21  -2.897   4.106  -0.423
  180   2HH1  ARG  21          2HH1      ARG  21  -3.732   4.614  -1.851
  181   1HH2  ARG  21          1HH2      ARG  21  -1.629   2.902  -4.013
  182   2HH2  ARG  21          2HH2      ARG  21  -3.019   3.928  -3.884
  183    H    PHE  22           H        PHE  22   3.395  -0.692  -2.312
  184    HA   PHE  22           HA       PHE  22   6.194  -0.018  -1.738
  185   1HB   PHE  22          2HB       PHE  22   4.697  -2.582  -1.367
  186   2HB   PHE  22          1HB       PHE  22   6.318  -2.248  -0.761
  187    HD1  PHE  22          1HD       PHE  22   6.010   0.578  -0.001
  188    HD2  PHE  22          2HD       PHE  22   3.399  -2.778   0.572
  189    HE1  PHE  22          1HE       PHE  22   4.972   1.717   1.922
  190    HE2  PHE  22          2HE       PHE  22   2.364  -1.636   2.505
  191    HZ   PHE  22           HZ       PHE  22   3.161   0.603   3.139
  192    H    PHE  23           H        PHE  23   4.168  -1.752  -3.976
  193    HA   PHE  23           HA       PHE  23   5.219  -3.550  -5.448
  194   1HB   PHE  23          2HB       PHE  23   3.864  -1.336  -6.345
  195   2HB   PHE  23          1HB       PHE  23   5.341  -1.279  -7.285
  196    HD1  PHE  23          1HD       PHE  23   3.462  -4.183  -5.925
  197    HD2  PHE  23          2HD       PHE  23   4.776  -2.011  -9.383
  198    HE1  PHE  23          1HE       PHE  23   2.568  -5.968  -7.387
  199    HE2  PHE  23          2HE       PHE  23   3.885  -3.796 -10.845
  200    HZ   PHE  23           HZ       PHE  23   2.789  -5.748  -9.829
  201    H    LEU  24           H        LEU  24   6.708  -0.449  -6.332
  202    HA   LEU  24           HA       LEU  24   9.186  -1.761  -7.110
  203   1HB   LEU  24          2HB       LEU  24   8.377   1.149  -6.864
  204   2HB   LEU  24          1HB       LEU  24   9.975   0.635  -7.408
  205    HG   LEU  24           HG       LEU  24   7.974  -0.857  -8.833
  206   1HD1  LEU  24          1HD1      LEU  24   6.742   1.371  -8.142
  207   2HD1  LEU  24          3HD1      LEU  24   7.739   2.079  -9.414
  208   3HD1  LEU  24          2HD1      LEU  24   6.616   0.773  -9.795
  209   1HD2  LEU  24          2HD2      LEU  24  10.376  -0.274  -9.456
  210   2HD2  LEU  24          1HD2      LEU  24   9.189  -0.054 -10.742
  211   3HD2  LEU  24          3HD2      LEU  24   9.791   1.342  -9.850
  212    H    HIS  25           H        HIS  25   8.108   0.282  -4.384
  213    HA   HIS  25           HA       HIS  25  10.631   0.564  -3.102
  214   1HB   HIS  25          2HB       HIS  25   8.041   1.292  -2.503
  215   2HB   HIS  25          1HB       HIS  25   8.372   0.066  -1.275
  216    HD1  HIS  25          1HD       HIS  25   8.358   2.152   0.438
  217    HD2  HIS  25          2HD       HIS  25  11.513   2.067  -2.286
  218    HE1  HIS  25          1HE       HIS  25  10.110   3.756   1.319
  219    H    HIS  26           H        HIS  26   8.473  -2.184  -3.340
  220    HA   HIS  26           HA       HIS  26   9.712  -3.700  -1.217
  221   1HB   HIS  26          2HB       HIS  26   7.348  -3.897  -2.497
  222   2HB   HIS  26          1HB       HIS  26   8.292  -5.132  -3.333
  223    HD1  HIS  26          1HD       HIS  26   8.497  -4.095   0.294
  224    HD2  HIS  26          2HD       HIS  26   7.593  -7.456  -1.994
  225    HE1  HIS  26          1HE       HIS  26   8.266  -6.009   1.913
  226    H    LEU  27           H        LEU  27   9.907  -3.705  -4.764
  227    HA   LEU  27           HA       LEU  27  12.017  -5.767  -4.667
  228   1HB   LEU  27          2HB       LEU  27  10.909  -4.325  -7.087
  229   2HB   LEU  27          1HB       LEU  27  11.799  -5.847  -7.062
  230    HG   LEU  27           HG       LEU  27   9.049  -5.346  -5.888
  231   1HD1  LEU  27          3HD1      LEU  27  10.098  -6.867  -8.277
  232   2HD1  LEU  27          2HD1      LEU  27   8.535  -7.250  -7.555
  233   3HD1  LEU  27          1HD1      LEU  27   8.826  -5.647  -8.230
  234   1HD2  LEU  27          1HD2      LEU  27  11.074  -7.468  -5.456
  235   2HD2  LEU  27          3HD2      LEU  27   9.738  -6.961  -4.423
  236   3HD2  LEU  27          2HD2      LEU  27   9.439  -8.041  -5.785
  237    H    ILE  28           H        ILE  28  12.072  -2.559  -4.103
  238    HA   ILE  28           HA       ILE  28  14.514  -2.034  -5.720
  239    HB   ILE  28           HB       ILE  28  12.556  -0.356  -5.505
  240   1HG1  ILE  28          2HG1      ILE  28  14.465   1.496  -4.956
  241   2HG1  ILE  28          1HG1      ILE  28  15.481   0.094  -5.295
  242   1HG2  ILE  28          3HG2      ILE  28  12.501  -0.685  -2.958
  243   2HG2  ILE  28          2HG2      ILE  28  13.951   0.318  -2.910
  244   3HG2  ILE  28          1HG2      ILE  28  12.442   0.979  -3.538
  245   1HD1  ILE  28          3HD1      ILE  28  14.052  -0.237  -7.400
  246   2HD1  ILE  28          2HD1      ILE  28  13.436   1.389  -7.102
  247   3HD1  ILE  28          1HD1      ILE  28  15.155   1.139  -7.407
  248    H    ALA  29           H        ALA  29  14.086  -3.718  -3.135
  249    HA   ALA  29           HA       ALA  29  16.647  -3.424  -2.034
  250   1HB   ALA  29          1HB       ALA  29  14.798  -1.412  -1.114
  251   2HB   ALA  29          3HB       ALA  29  15.243  -2.463   0.230
  252   3HB   ALA  29          2HB       ALA  29  16.496  -1.623  -0.685
  253    H    GLU  30           H        GLU  30  16.898  -4.823  -0.078
  254    HA   GLU  30           HA       GLU  30  16.409  -6.858   1.004
  255   1HB   GLU  30          2HB       GLU  30  13.536  -6.602   1.086
  256   2HB   GLU  30          1HB       GLU  30  14.682  -6.600   2.422
  257   1HG   GLU  30          2HG       GLU  30  15.196  -4.152   1.609
  258   2HG   GLU  30          1HG       GLU  30  13.608  -4.275   0.843
  259    H    ILE  31           H        ILE  31  16.798  -8.445  -0.524
  260    HA   ILE  31           HA       ILE  31  14.464  -9.212  -2.228
  261    HB   ILE  31           HB       ILE  31  17.171  -9.957  -3.168
  262   1HG1  ILE  31          2HG1      ILE  31  17.440  -7.583  -2.338
  263   2HG1  ILE  31          1HG1      ILE  31  17.692  -7.768  -4.074
  264   1HG2  ILE  31          3HG2      ILE  31  14.520  -9.134  -4.289
  265   2HG2  ILE  31          2HG2      ILE  31  15.955  -8.958  -5.299
  266   3HG2  ILE  31          1HG2      ILE  31  15.507 -10.544  -4.672
  267   1HD1  ILE  31          3HD1      ILE  31  14.913  -7.336  -3.699
  268   2HD1  ILE  31          2HD1      ILE  31  15.750  -6.140  -2.709
  269   3HD1  ILE  31          1HD1      ILE  31  16.081  -6.240  -4.438
  270    H    HIS  32           H        HIS  32  13.706 -11.011  -1.261
  271    HA   HIS  32           HA       HIS  32  13.719 -13.038  -0.044
  272   1HB   HIS  32          2HB       HIS  32  15.113 -14.773  -1.314
  273   2HB   HIS  32          1HB       HIS  32  13.892 -13.911  -2.255
  274    HD1  HIS  32          1HD       HIS  32  17.621 -13.749  -1.500
  275    HD2  HIS  32          2HD       HIS  32  14.922 -12.518  -4.429
  276    HE1  HIS  32          1HE       HIS  32  19.006 -12.782  -3.388
  277    H    THR  33           H        THR  33  15.224 -11.331   1.421
  278    HA   THR  33           HA       THR  33  17.488 -13.070   2.287
  279    HB   THR  33           HB       THR  33  18.466 -10.633   2.920
  280    HG1  THR  33          1HG       THR  33  18.011  -9.597   0.674
  281   1HG2  THR  33          3HG2      THR  33  18.807 -12.538   0.709
  282   2HG2  THR  33          2HG2      THR  33  19.378 -10.911   0.337
  283   3HG2  THR  33          1HG2      THR  33  20.022 -11.774   1.734
  284    H    ALA  34           H        ALA  34  15.247 -13.437   3.612
  285    HA   ALA  34           HA       ALA  34  15.791 -12.530   6.278
  286   1HB   ALA  34          1HB       ALA  34  14.424 -10.630   4.752
  287   2HB   ALA  34          3HB       ALA  34  13.156 -11.429   5.683
  288   3HB   ALA  34          2HB       ALA  34  14.520 -10.678   6.513
   
  No H/Q in entry =         288
  Start of MODEL   23
    1   1H    ALA   1          2HT       ALA   1 -18.249  -1.120  10.312
    2   2H    ALA   1          1HT       ALA   1 -19.442  -1.431   9.144
    3   3H    ALA   1          3HT       ALA   1 -18.988   0.168   9.485
    4    HA   ALA   1           HA       ALA   1 -20.113   0.240  11.466
    5   1HB   ALA   1          2HB       ALA   1 -21.471  -1.273   9.321
    6   2HB   ALA   1          1HB       ALA   1 -22.207  -1.435  10.916
    7   3HB   ALA   1          3HB       ALA   1 -22.003   0.162  10.197
    8    H    VAL   2           H        VAL   2 -20.842  -3.161  10.717
    9    HA   VAL   2           HA       VAL   2 -20.988  -4.128  13.293
   10    HB   VAL   2           HB       VAL   2 -21.472  -5.590  11.440
   11   1HG1  VAL   2          1HG1      VAL   2 -19.541  -4.482  10.066
   12   2HG1  VAL   2          3HG1      VAL   2 -18.548  -5.768  10.752
   13   3HG1  VAL   2          2HG1      VAL   2 -19.948  -6.170   9.757
   14   1HG2  VAL   2          1HG2      VAL   2 -20.568  -6.609  13.563
   15   2HG2  VAL   2          3HG2      VAL   2 -20.305  -7.600  12.128
   16   3HG2  VAL   2          2HG2      VAL   2 -18.978  -6.651  12.802
   17    H    SER   3           H        SER   3 -18.049  -3.482  11.438
   18    HA   SER   3           HA       SER   3 -16.513  -3.610  13.973
   19   1HB   SER   3          2HB       SER   3 -15.921  -5.743  13.274
   20   2HB   SER   3          1HB       SER   3 -16.111  -5.345  11.564
   21    HG   SER   3           HG       SER   3 -13.894  -5.380  12.974
   22    H    GLU   4           H        GLU   4 -14.321  -2.598  13.682
   23    HA   GLU   4           HA       GLU   4 -14.560  -0.258  11.899
   24   1HB   GLU   4          2HB       GLU   4 -13.780  -0.150  14.336
   25   2HB   GLU   4          1HB       GLU   4 -12.279  -0.888  13.783
   26   1HG   GLU   4          2HG       GLU   4 -11.795   1.404  13.648
   27   2HG   GLU   4          1HG       GLU   4 -12.287   1.018  11.998
   28    H    HIS   5           H        HIS   5 -11.766  -2.345  12.685
   29    HA   HIS   5           HA       HIS   5 -10.211  -1.871  10.475
   30   1HB   HIS   5          2HB       HIS   5 -10.575  -4.151  12.265
   31   2HB   HIS   5          1HB       HIS   5  -9.847  -4.559  10.713
   32    HD1  HIS   5          1HD       HIS   5  -7.685  -3.029  10.061
   33    HD2  HIS   5          2HD       HIS   5  -8.847  -2.986  14.062
   34    HE1  HIS   5          1HE       HIS   5  -5.719  -2.104  11.366
   35    H    GLN   6           H        GLN   6 -12.872  -4.242  10.616
   36    HA   GLN   6           HA       GLN   6 -12.690  -5.327   8.081
   37   1HB   GLN   6          2HB       GLN   6 -14.818  -4.865   9.973
   38   2HB   GLN   6          1HB       GLN   6 -15.399  -4.789   8.312
   39   1HG   GLN   6          2HG       GLN   6 -13.588  -6.977   8.482
   40   2HG   GLN   6          1HG       GLN   6 -14.696  -7.109   9.847
   41   1HE2  GLN   6          2HE2      GLN   6 -16.420  -7.037   6.101
   42   2HE2  GLN   6          1HE2      GLN   6 -15.061  -6.051   6.407
   43    H    LEU   7           H        LEU   7 -13.825  -4.689   6.044
   44    HA   LEU   7           HA       LEU   7 -14.474  -3.096   4.426
   45   1HB   LEU   7          2HB       LEU   7 -15.358  -1.962   6.817
   46   2HB   LEU   7          1HB       LEU   7 -14.353  -0.705   6.092
   47    HG   LEU   7           HG       LEU   7 -16.616  -2.171   4.704
   48   1HD1  LEU   7          3HD1      LEU   7 -17.377  -0.556   6.416
   49   2HD1  LEU   7          2HD1      LEU   7 -16.382   0.696   5.670
   50   3HD1  LEU   7          1HD1      LEU   7 -17.750   0.016   4.789
   51   1HD2  LEU   7          3HD2      LEU   7 -14.368  -0.597   3.737
   52   2HD2  LEU   7          2HD2      LEU   7 -15.568  -1.504   2.817
   53   3HD2  LEU   7          1HD2      LEU   7 -15.904   0.156   3.306
   54    H    LEU   8           H        LEU   8 -12.102  -1.732   6.801
   55    HA   LEU   8           HA       LEU   8 -10.738  -0.141   4.963
   56   1HB   LEU   8          2HB       LEU   8 -10.276   0.249   7.220
   57   2HB   LEU   8          1HB       LEU   8 -10.011  -1.459   7.528
   58    HG   LEU   8           HG       LEU   8  -7.942  -1.457   6.372
   59   1HD1  LEU   8          3HD1      LEU   8  -9.164   0.788   5.052
   60   2HD1  LEU   8          2HD1      LEU   8  -7.553   1.240   5.613
   61   3HD1  LEU   8          1HD1      LEU   8  -7.761  -0.151   4.546
   62   1HD2  LEU   8          2HD2      LEU   8  -7.944  -0.437   8.668
   63   2HD2  LEU   8          1HD2      LEU   8  -6.646   0.176   7.643
   64   3HD2  LEU   8          3HD2      LEU   8  -8.091   1.151   7.915
   65    H    HIS   9           H        HIS   9 -10.376  -3.551   5.805
   66    HA   HIS   9           HA       HIS   9  -8.047  -3.965   4.198
   67   1HB   HIS   9          2HB       HIS   9 -10.080  -5.843   5.363
   68   2HB   HIS   9          1HB       HIS   9  -8.635  -6.416   4.512
   69    HD1  HIS   9          1HD       HIS   9  -7.203  -7.206   6.525
   70    HD2  HIS   9          2HD       HIS   9  -8.871  -3.446   6.938
   71    HE1  HIS   9          1HE       HIS   9  -6.187  -6.230   8.641
   72    H    ASP  10           H        ASP  10 -11.273  -5.330   3.810
   73    HA   ASP  10           HA       ASP  10 -12.284  -6.095   1.799
   74   1HB   ASP  10          2HB       ASP  10 -13.365  -4.130   2.278
   75   2HB   ASP  10          1HB       ASP  10 -11.915  -3.158   2.065
   76    H    LYS  11           H        LYS  11 -10.562  -7.319   0.725
   77    HA   LYS  11           HA       LYS  11  -8.408  -6.410  -0.728
   78   1HB   LYS  11          2HB       LYS  11  -9.614  -8.817  -0.518
   79   2HB   LYS  11          1HB       LYS  11 -10.094  -8.389  -2.165
   80   1HG   LYS  11          2HG       LYS  11  -7.953  -9.616  -2.166
   81   2HG   LYS  11          1HG       LYS  11  -7.733  -7.966  -2.747
   82   1HD   LYS  11          2HD       LYS  11  -6.200  -7.616  -1.137
   83   2HD   LYS  11          1HD       LYS  11  -7.436  -7.914   0.087
   84   1HE   LYS  11          2HE       LYS  11  -6.793 -10.460  -0.872
   85   2HE   LYS  11          1HE       LYS  11  -5.241  -9.629  -0.763
   86   1HZ   LYS  11          2HZ       LYS  11  -5.969  -8.920   1.521
   87   2HZ   LYS  11          1HZ       LYS  11  -7.238 -10.043   1.383
   88   3HZ   LYS  11          3HZ       LYS  11  -5.628 -10.575   1.337
   89    H    GLY  12           H        GLY  12  -8.532  -4.515  -1.870
   90   1HA   GLY  12          2HA       GLY  12  -9.227  -4.227  -4.458
   91   2HA   GLY  12          1HA       GLY  12 -10.793  -3.989  -3.676
   92    H    LYS  13           H        LYS  13  -9.776  -2.724  -1.313
   93    HA   LYS  13           HA       LYS  13  -9.611  -0.021  -2.204
   94   1HB   LYS  13          2HB       LYS  13  -8.878  -1.015   0.503
   95   2HB   LYS  13          1HB       LYS  13  -9.493   0.578   0.081
   96   1HG   LYS  13          2HG       LYS  13 -11.002  -2.050  -0.082
   97   2HG   LYS  13          1HG       LYS  13 -11.308  -0.728   1.047
   98   1HD   LYS  13          2HD       LYS  13 -11.320   0.400  -1.557
   99   2HD   LYS  13          1HD       LYS  13 -12.305  -1.062  -1.629
  100   1HE   LYS  13          2HE       LYS  13 -13.545  -0.275   0.391
  101   2HE   LYS  13          1HE       LYS  13 -12.618   1.224   0.338
  102   1HZ   LYS  13          3HZ       LYS  13 -14.264   0.218  -1.915
  103   2HZ   LYS  13          2HZ       LYS  13 -14.814   1.349  -0.772
  104   3HZ   LYS  13          1HZ       LYS  13 -13.512   1.733  -1.794
  105    H    SER  14           H        SER  14  -7.661   1.060  -0.490
  106    HA   SER  14           HA       SER  14  -5.383   0.491  -2.171
  107   1HB   SER  14          2HB       SER  14  -5.154   2.375   0.109
  108   2HB   SER  14          1HB       SER  14  -4.455   2.454  -1.512
  109    HG   SER  14           HG       SER  14  -6.211   3.394  -2.211
  110    H    ILE  15           H        ILE  15  -5.759  -1.668  -1.033
  111    HA   ILE  15           HA       ILE  15  -3.662  -1.981   1.061
  112    HB   ILE  15           HB       ILE  15  -5.339  -4.273   0.825
  113   1HG1  ILE  15          2HG1      ILE  15  -7.397  -2.963   1.856
  114   2HG1  ILE  15          1HG1      ILE  15  -6.779  -1.653   0.885
  115   1HG2  ILE  15          2HG2      ILE  15  -4.433  -2.371   2.892
  116   2HG2  ILE  15          1HG2      ILE  15  -5.929  -3.226   3.270
  117   3HG2  ILE  15          3HG2      ILE  15  -4.459  -4.134   2.924
  118   1HD1  ILE  15          3HD1      ILE  15  -6.953  -4.312  -0.422
  119   2HD1  ILE  15          2HD1      ILE  15  -8.482  -3.498  -0.082
  120   3HD1  ILE  15          1HD1      ILE  15  -7.266  -2.710  -1.085
  121    H    GLN  16           H        GLN  16  -5.492  -3.368  -1.572
  122    HA   GLN  16           HA       GLN  16  -3.525  -5.223  -2.539
  123   1HB   GLN  16          2HB       GLN  16  -5.806  -3.660  -3.791
  124   2HB   GLN  16          1HB       GLN  16  -4.820  -4.790  -4.728
  125   1HG   GLN  16          2HG       GLN  16  -5.672  -6.037  -2.261
  126   2HG   GLN  16          1HG       GLN  16  -7.070  -5.417  -3.138
  127   1HE2  GLN  16          2HE2      GLN  16  -5.101  -8.662  -4.547
  128   2HE2  GLN  16          1HE2      GLN  16  -4.643  -7.905  -3.100
  129    H    ASP  17           H        ASP  17  -4.198  -1.814  -2.707
  130    HA   ASP  17           HA       ASP  17  -2.066  -1.321  -4.702
  131   1HB   ASP  17          2HB       ASP  17  -4.385   0.139  -3.686
  132   2HB   ASP  17          1HB       ASP  17  -2.936   1.144  -3.696
  133    H    LEU  18           H        LEU  18  -2.767  -0.774  -1.236
  134    HA   LEU  18           HA       LEU  18  -0.482   0.718  -0.509
  135   1HB   LEU  18          2HB       LEU  18  -2.080   0.115   1.212
  136   2HB   LEU  18          1HB       LEU  18  -1.847  -1.604   0.900
  137    HG   LEU  18           HG       LEU  18   0.699  -0.899   1.462
  138   1HD1  LEU  18          1HD1      LEU  18  -0.325   1.472   1.934
  139   2HD1  LEU  18          3HD1      LEU  18  -0.838   0.739   3.455
  140   3HD1  LEU  18          2HD1      LEU  18   0.876   0.811   3.045
  141   1HD2  LEU  18          2HD2      LEU  18  -1.584  -1.756   3.224
  142   2HD2  LEU  18          1HD2      LEU  18  -0.235  -2.716   2.619
  143   3HD2  LEU  18          3HD2      LEU  18   0.027  -1.537   3.906
  144    H    ARG  19           H        ARG  19  -0.928  -2.523  -1.588
  145    HA   ARG  19           HA       ARG  19   1.708  -3.567  -1.042
  146   1HB   ARG  19          2HB       ARG  19   0.093  -5.227  -1.411
  147   2HB   ARG  19          1HB       ARG  19  -0.723  -4.288  -2.650
  148   1HG   ARG  19          2HG       ARG  19   1.265  -4.676  -4.150
  149   2HG   ARG  19          1HG       ARG  19   1.876  -5.812  -2.942
  150   1HD   ARG  19          2HD       ARG  19  -0.400  -6.077  -4.824
  151   2HD   ARG  19          1HD       ARG  19   0.668  -7.320  -4.175
  152    HE   ARG  19           HE       ARG  19  -1.846  -6.383  -2.958
  153   1HH1  ARG  19          1HH1      ARG  19   1.196  -7.207  -1.804
  154   2HH1  ARG  19          2HH1      ARG  19   0.657  -8.525  -0.819
  155   1HH2  ARG  19          1HH2      ARG  19  -2.586  -8.464  -2.044
  156   2HH2  ARG  19          2HH2      ARG  19  -1.483  -9.236  -0.953
  157    H    ARG  20           H        ARG  20   0.083  -2.313  -3.975
  158    HA   ARG  20           HA       ARG  20   2.503  -2.344  -5.509
  159   1HB   ARG  20          2HB       ARG  20   1.274  -1.346  -7.227
  160   2HB   ARG  20          1HB       ARG  20   0.040  -2.213  -6.311
  161   1HG   ARG  20          2HG       ARG  20  -0.631  -0.185  -5.173
  162   2HG   ARG  20          1HG       ARG  20   0.712   0.711  -5.887
  163   1HD   ARG  20          2HD       ARG  20  -1.244  -0.696  -7.679
  164   2HD   ARG  20          1HD       ARG  20  -1.673   0.869  -6.985
  165    HE   ARG  20           HE       ARG  20   0.959   0.882  -8.229
  166   1HH1  ARG  20          1HH1      ARG  20  -2.440   0.958  -8.816
  167   2HH1  ARG  20          2HH1      ARG  20  -2.308   1.973 -10.213
  168   1HH2  ARG  20          1HH2      ARG  20   1.138   2.279  -9.997
  169   2HH2  ARG  20          2HH2      ARG  20  -0.285   2.721 -10.881
  170    H    ARG  21           H        ARG  21   1.101  -0.120  -3.231
  171    HA   ARG  21           HA       ARG  21   2.643   2.199  -3.900
  172   1HB   ARG  21          2HB       ARG  21   1.090   1.228  -1.610
  173   2HB   ARG  21          1HB       ARG  21   2.535   2.101  -1.097
  174   1HG   ARG  21          2HG       ARG  21   1.007   3.846  -1.336
  175   2HG   ARG  21          1HG       ARG  21   1.778   3.839  -2.924
  176   1HD   ARG  21          2HD       ARG  21  -0.575   3.912  -3.337
  177   2HD   ARG  21          1HD       ARG  21  -0.073   2.256  -3.674
  178    HE   ARG  21           HE       ARG  21  -1.420   1.557  -1.870
  179   1HH1  ARG  21          1HH1      ARG  21  -1.515   2.012   0.521
  180   2HH1  ARG  21          2HH1      ARG  21  -2.149   3.570   0.934
  181   1HH2  ARG  21          1HH2      ARG  21  -1.880   4.826  -2.286
  182   2HH2  ARG  21          2HH2      ARG  21  -2.361   5.161  -0.656
  183    H    PHE  22           H        PHE  22   3.262  -0.834  -2.321
  184    HA   PHE  22           HA       PHE  22   6.050  -0.103  -1.733
  185   1HB   PHE  22          2HB       PHE  22   4.568  -2.634  -1.178
  186   2HB   PHE  22          1HB       PHE  22   6.176  -2.232  -0.577
  187    HD1  PHE  22          1HD       PHE  22   3.231  -2.673   0.739
  188    HD2  PHE  22          2HD       PHE  22   5.838   0.639  -0.055
  189    HE1  PHE  22          1HE       PHE  22   2.147  -1.379   2.541
  190    HE2  PHE  22          2HE       PHE  22   4.759   1.925   1.747
  191    HZ   PHE  22           HZ       PHE  22   2.923   0.906   3.012
  192    H    PHE  23           H        PHE  23   4.079  -1.895  -3.957
  193    HA   PHE  23           HA       PHE  23   5.328  -3.866  -5.197
  194   1HB   PHE  23          2HB       PHE  23   3.966  -1.567  -6.289
  195   2HB   PHE  23          1HB       PHE  23   5.238  -2.089  -7.379
  196    HD1  PHE  23          1HD       PHE  23   3.554  -4.405  -5.079
  197    HD2  PHE  23          2HD       PHE  23   3.743  -2.832  -9.067
  198    HE1  PHE  23          1HE       PHE  23   2.084  -6.231  -5.874
  199    HE2  PHE  23          2HE       PHE  23   2.280  -4.657  -9.860
  200    HZ   PHE  23           HZ       PHE  23   1.464  -6.325  -8.256
  201    H    LEU  24           H        LEU  24   6.475  -0.661  -6.253
  202    HA   LEU  24           HA       LEU  24   9.042  -1.739  -7.069
  203   1HB   LEU  24          2HB       LEU  24   8.468   1.187  -6.574
  204   2HB   LEU  24          1HB       LEU  24   9.576   0.471  -7.744
  205    HG   LEU  24           HG       LEU  24   6.549   0.330  -7.817
  206   1HD1  LEU  24          3HD1      LEU  24   7.858   2.463  -8.533
  207   2HD1  LEU  24          2HD1      LEU  24   8.372   1.493  -9.913
  208   3HD1  LEU  24          1HD1      LEU  24   6.658   1.805  -9.645
  209   1HD2  LEU  24          2HD2      LEU  24   7.961  -1.722  -8.599
  210   2HD2  LEU  24          1HD2      LEU  24   6.721  -1.092  -9.683
  211   3HD2  LEU  24          3HD2      LEU  24   8.417  -0.686  -9.952
  212    H    HIS  25           H        HIS  25   7.833   0.126  -4.285
  213    HA   HIS  25           HA       HIS  25  10.256   0.686  -2.982
  214   1HB   HIS  25          2HB       HIS  25   7.677   1.013  -2.292
  215   2HB   HIS  25          1HB       HIS  25   8.041  -0.406  -1.305
  216    HD1  HIS  25          1HD       HIS  25   8.401   3.218  -1.358
  217    HD2  HIS  25          2HD       HIS  25  10.445   0.048   0.416
  218    HE1  HIS  25          1HE       HIS  25   9.804   4.220   0.496
  219    H    HIS  26           H        HIS  26   8.380  -2.346  -2.965
  220    HA   HIS  26           HA       HIS  26  10.009  -3.806  -1.177
  221   1HB   HIS  26          2HB       HIS  26   7.742  -4.343  -2.556
  222   2HB   HIS  26          1HB       HIS  26   8.931  -5.294  -3.450
  223    HD1  HIS  26          1HD       HIS  26   8.926  -4.561   0.254
  224    HD2  HIS  26          2HD       HIS  26   8.588  -7.814  -2.323
  225    HE1  HIS  26          1HE       HIS  26   8.988  -6.618   1.704
  226    H    LEU  27           H        LEU  27  10.120  -3.664  -4.739
  227    HA   LEU  27           HA       LEU  27  12.642  -5.157  -4.783
  228   1HB   LEU  27          2HB       LEU  27  11.355  -3.720  -7.108
  229   2HB   LEU  27          1HB       LEU  27  12.423  -5.123  -7.151
  230    HG   LEU  27           HG       LEU  27   9.682  -5.127  -5.861
  231   1HD1  LEU  27          1HD1      LEU  27  10.521  -5.386  -8.657
  232   2HD1  LEU  27          3HD1      LEU  27   9.608  -6.782  -8.086
  233   3HD1  LEU  27          2HD1      LEU  27   8.905  -5.168  -7.988
  234   1HD2  LEU  27          3HD2      LEU  27  11.935  -6.999  -6.025
  235   2HD2  LEU  27          2HD2      LEU  27  10.537  -7.021  -4.951
  236   3HD2  LEU  27          1HD2      LEU  27  10.415  -7.706  -6.571
  237    H    ILE  28           H        ILE  28  12.216  -2.222  -3.693
  238    HA   ILE  28           HA       ILE  28  14.457  -1.011  -5.259
  239    HB   ILE  28           HB       ILE  28  12.181   0.211  -3.694
  240   1HG1  ILE  28          2HG1      ILE  28  13.307   0.838  -6.437
  241   2HG1  ILE  28          1HG1      ILE  28  12.005  -0.318  -6.166
  242   1HG2  ILE  28          2HG2      ILE  28  14.915   1.296  -4.201
  243   2HG2  ILE  28          1HG2      ILE  28  13.553   2.391  -4.448
  244   3HG2  ILE  28          3HG2      ILE  28  13.800   1.632  -2.875
  245   1HD1  ILE  28          3HD1      ILE  28  10.816   1.592  -4.906
  246   2HD1  ILE  28          2HD1      ILE  28  11.998   2.658  -5.666
  247   3HD1  ILE  28          1HD1      ILE  28  10.891   1.714  -6.663
  248    H    ALA  29           H        ALA  29  13.639  -2.435  -2.278
  249    HA   ALA  29           HA       ALA  29  16.221  -2.346  -1.215
  250   1HB   ALA  29          1HB       ALA  29  14.663   0.114  -0.746
  251   2HB   ALA  29          3HB       ALA  29  15.373  -0.588   0.708
  252   3HB   ALA  29          2HB       ALA  29  16.405  -0.149  -0.652
  253    H    GLU  30           H        GLU  30  16.083  -4.144   0.009
  254    HA   GLU  30           HA       GLU  30  14.288  -4.305   2.273
  255   1HB   GLU  30          2HB       GLU  30  13.113  -6.394   1.450
  256   2HB   GLU  30          1HB       GLU  30  12.619  -4.904   0.639
  257   1HG   GLU  30          2HG       GLU  30  13.690  -5.461  -1.339
  258   2HG   GLU  30          1HG       GLU  30  14.893  -6.468  -0.525
  259    H    ILE  31           H        ILE  31  16.560  -4.574   3.045
  260    HA   ILE  31           HA       ILE  31  17.536  -7.369   2.626
  261    HB   ILE  31           HB       ILE  31  19.228  -5.098   3.630
  262   1HG1  ILE  31          2HG1      ILE  31  18.174  -4.465   1.436
  263   2HG1  ILE  31          1HG1      ILE  31  19.928  -4.628   1.348
  264   1HG2  ILE  31          3HG2      ILE  31  19.593  -7.894   2.952
  265   2HG2  ILE  31          2HG2      ILE  31  20.668  -6.874   1.995
  266   3HG2  ILE  31          1HG2      ILE  31  20.710  -6.792   3.756
  267   1HD1  ILE  31          3HD1      ILE  31  18.849  -7.205   0.859
  268   2HD1  ILE  31          2HD1      ILE  31  17.920  -6.071  -0.122
  269   3HD1  ILE  31          1HD1      ILE  31  19.675  -6.148  -0.288
  270    H    HIS  32           H        HIS  32  15.540  -6.734   4.496
  271    HA   HIS  32           HA       HIS  32  15.035  -6.862   6.804
  272   1HB   HIS  32          2HB       HIS  32  16.105  -9.141   6.062
  273   2HB   HIS  32          1HB       HIS  32  17.475  -8.604   7.039
  274    HD1  HIS  32          1HD       HIS  32  14.708 -10.675   7.436
  275    HD2  HIS  32          2HD       HIS  32  16.151  -7.486   9.701
  276    HE1  HIS  32          1HE       HIS  32  13.720 -10.937   9.754
  277    H    THR  33           H        THR  33  16.138  -4.502   6.598
  278    HA   THR  33           HA       THR  33  18.395  -4.436   8.562
  279    HB   THR  33           HB       THR  33  17.661  -2.185   6.686
  280    HG1  THR  33          1HG       THR  33  19.744  -3.968   6.134
  281   1HG2  THR  33          3HG2      THR  33  19.171  -1.836   8.687
  282   2HG2  THR  33          2HG2      THR  33  20.305  -2.959   7.937
  283   3HG2  THR  33          1HG2      THR  33  19.902  -1.443   7.132
  284    H    ALA  34           H        ALA  34  17.379  -4.152  10.516
  285    HA   ALA  34           HA       ALA  34  15.670  -1.725  10.780
  286   1HB   ALA  34          1HB       ALA  34  14.778  -4.445  11.027
  287   2HB   ALA  34          3HB       ALA  34  14.693  -3.669  12.608
  288   3HB   ALA  34          2HB       ALA  34  13.846  -2.962  11.232
   
  No H/Q in entry =         288
  Start of MODEL   24
    1   1H    ALA   1          1HT       ALA   1  -4.166  13.043   7.727
    2   2H    ALA   1          3HT       ALA   1  -3.430  12.445   9.132
    3   3H    ALA   1          2HT       ALA   1  -4.839  11.707   8.534
    4    HA   ALA   1           HA       ALA   1  -6.181  13.148   9.541
    5   1HB   ALA   1          1HB       ALA   1  -3.558  13.958  10.835
    6   2HB   ALA   1          3HB       ALA   1  -5.158  14.321  11.481
    7   3HB   ALA   1          2HB       ALA   1  -4.614  12.647  11.360
    8    H    VAL   2           H        VAL   2  -3.244  14.841   8.453
    9    HA   VAL   2           HA       VAL   2  -4.003  17.483   8.527
   10    HB   VAL   2           HB       VAL   2  -1.860  16.741   7.581
   11   1HG1  VAL   2          1HG1      VAL   2  -2.735  14.790   6.336
   12   2HG1  VAL   2          3HG1      VAL   2  -3.540  15.878   5.206
   13   3HG1  VAL   2          2HG1      VAL   2  -1.780  15.839   5.288
   14   1HG2  VAL   2          2HG2      VAL   2  -3.416  18.871   6.710
   15   2HG2  VAL   2          1HG2      VAL   2  -1.695  18.659   6.385
   16   3HG2  VAL   2          3HG2      VAL   2  -2.889  18.116   5.205
   17    H    SER   3           H        SER   3  -5.133  15.051   6.197
   18    HA   SER   3           HA       SER   3  -7.155  17.055   5.266
   19   1HB   SER   3          2HB       SER   3  -5.734  16.530   3.408
   20   2HB   SER   3          1HB       SER   3  -5.776  14.806   3.781
   21    HG   SER   3           HG       SER   3  -7.993  16.413   3.013
   22    H    GLU   4           H        GLU   4  -9.253  16.050   4.595
   23    HA   GLU   4           HA       GLU   4 -10.069  14.042   6.579
   24   1HB   GLU   4          2HB       GLU   4 -11.423  16.115   5.828
   25   2HB   GLU   4          1HB       GLU   4 -11.812  15.172   4.392
   26   1HG   GLU   4          2HG       GLU   4 -13.583  14.637   5.827
   27   2HG   GLU   4          1HG       GLU   4 -12.461  13.305   6.106
   28    H    HIS   5           H        HIS   5 -10.825  14.253   3.087
   29    HA   HIS   5           HA       HIS   5 -11.455  11.626   2.594
   30   1HB   HIS   5          2HB       HIS   5 -10.393  13.807   1.016
   31   2HB   HIS   5          1HB       HIS   5  -9.869  12.238   0.408
   32    HD1  HIS   5          1HD       HIS   5 -11.942  10.445   0.106
   33    HD2  HIS   5          2HD       HIS   5 -12.942  14.486   0.260
   34    HE1  HIS   5          1HE       HIS   5 -14.273  10.643  -0.867
   35    H    GLN   6           H        GLN   6  -8.267  12.896   3.284
   36    HA   GLN   6           HA       GLN   6  -6.613  10.864   2.370
   37   1HB   GLN   6          2HB       GLN   6  -6.510  12.824   4.477
   38   2HB   GLN   6          1HB       GLN   6  -5.735  11.322   4.981
   39   1HG   GLN   6          2HG       GLN   6  -5.128  12.316   2.239
   40   2HG   GLN   6          1HG       GLN   6  -4.422  13.204   3.589
   41   1HE2  GLN   6          2HE2      GLN   6  -2.143  10.622   4.446
   42   2HE2  GLN   6          1HE2      GLN   6  -2.817  12.122   4.900
   43    H    LEU   7           H        LEU   7  -5.732   8.969   3.752
   44    HA   LEU   7           HA       LEU   7  -6.176   6.992   4.945
   45   1HB   LEU   7          2HB       LEU   7  -7.319   8.992   6.503
   46   2HB   LEU   7          1HB       LEU   7  -8.671   7.896   6.217
   47    HG   LEU   7           HG       LEU   7  -6.194   6.469   6.837
   48   1HD1  LEU   7          3HD1      LEU   7  -6.831   8.822   8.394
   49   2HD1  LEU   7          2HD1      LEU   7  -7.008   7.373   9.383
   50   3HD1  LEU   7          1HD1      LEU   7  -5.477   7.708   8.576
   51   1HD2  LEU   7          2HD2      LEU   7  -9.000   6.179   7.085
   52   2HD2  LEU   7          1HD2      LEU   7  -7.761   5.006   7.534
   53   3HD2  LEU   7          3HD2      LEU   7  -8.357   6.161   8.728
   54    H    LEU   8           H        LEU   8  -9.484   8.382   4.361
   55    HA   LEU   8           HA       LEU   8 -10.579   5.997   3.395
   56   1HB   LEU   8          2HB       LEU   8 -12.105   7.715   3.891
   57   2HB   LEU   8          1HB       LEU   8 -11.161   8.891   2.984
   58    HG   LEU   8           HG       LEU   8 -11.685   7.718   0.900
   59   1HD1  LEU   8          2HD1      LEU   8 -12.191   5.618   2.590
   60   2HD1  LEU   8          1HD1      LEU   8 -13.818   6.100   2.106
   61   3HD1  LEU   8          3HD1      LEU   8 -12.627   5.658   0.880
   62   1HD2  LEU   8          1HD2      LEU   8 -13.606   9.034   2.636
   63   2HD2  LEU   8          3HD2      LEU   8 -13.354   9.228   0.901
   64   3HD2  LEU   8          2HD2      LEU   8 -14.399   7.939   1.504
   65    H    HIS   9           H        HIS   9  -8.996   8.718   1.885
   66    HA   HIS   9           HA       HIS   9  -9.027   8.127  -0.804
   67   1HB   HIS   9          2HB       HIS   9  -7.948  10.094  -0.292
   68   2HB   HIS   9          1HB       HIS   9  -7.063   9.402   1.067
   69    HD1  HIS   9          1HD       HIS   9  -4.602   9.416   0.470
   70    HD2  HIS   9          2HD       HIS   9  -7.071   8.555  -2.726
   71    HE1  HIS   9          1HE       HIS   9  -3.057   8.979  -1.499
   72    H    ASP  10           H        ASP  10  -6.103   7.387   1.007
   73    HA   ASP  10           HA       ASP  10  -5.560   5.121  -0.703
   74   1HB   ASP  10          2HB       ASP  10  -3.744   6.513  -0.105
   75   2HB   ASP  10          1HB       ASP  10  -4.138   6.411   1.601
   76    H    LYS  11           H        LYS  11  -5.464   5.384   2.853
   77    HA   LYS  11           HA       LYS  11  -5.620   2.686   3.467
   78   1HB   LYS  11          2HB       LYS  11  -5.992   5.150   4.846
   79   2HB   LYS  11          1HB       LYS  11  -7.310   4.068   5.314
   80   1HG   LYS  11          2HG       LYS  11  -4.387   3.262   5.320
   81   2HG   LYS  11          1HG       LYS  11  -5.243   3.852   6.745
   82   1HD   LYS  11          2HD       LYS  11  -6.796   2.004   6.663
   83   2HD   LYS  11          1HD       LYS  11  -6.156   1.472   5.108
   84   1HE   LYS  11          2HE       LYS  11  -5.154   0.048   6.743
   85   2HE   LYS  11          1HE       LYS  11  -3.904   1.202   6.279
   86   1HZ   LYS  11          2HZ       LYS  11  -5.544   2.154   8.423
   87   2HZ   LYS  11          1HZ       LYS  11  -4.755   0.702   8.816
   88   3HZ   LYS  11          3HZ       LYS  11  -3.851   2.048   8.321
   89    H    GLY  12           H        GLY  12  -6.989   1.653   1.921
   90   1HA   GLY  12          2HA       GLY  12  -9.393   0.689   2.485
   91   2HA   GLY  12          1HA       GLY  12  -9.877   2.317   1.992
   92    H    LYS  13           H        LYS  13  -7.734   2.552  -0.025
   93    HA   LYS  13           HA       LYS  13  -9.061   1.277  -2.233
   94   1HB   LYS  13          2HB       LYS  13  -6.398   2.609  -2.114
   95   2HB   LYS  13          1HB       LYS  13  -7.242   2.178  -3.596
   96   1HG   LYS  13          2HG       LYS  13  -8.574   3.920  -1.532
   97   2HG   LYS  13          1HG       LYS  13  -7.455   4.625  -2.702
   98   1HD   LYS  13          2HD       LYS  13  -8.809   4.036  -4.537
   99   2HD   LYS  13          1HD       LYS  13  -9.689   2.817  -3.614
  100   1HE   LYS  13          2HE       LYS  13 -10.798   4.535  -2.301
  101   2HE   LYS  13          1HE       LYS  13  -9.828   5.795  -3.061
  102   1HZ   LYS  13          3HZ       LYS  13 -11.121   4.183  -5.009
  103   2HZ   LYS  13          2HZ       LYS  13 -12.255   4.834  -3.924
  104   3HZ   LYS  13          1HZ       LYS  13 -11.206   5.861  -4.779
  105    H    SER  14           H        SER  14  -8.931  -0.753  -0.949
  106    HA   SER  14           HA       SER  14  -7.907  -2.836  -0.608
  107   1HB   SER  14          2HB       SER  14  -8.501  -2.443  -3.227
  108   2HB   SER  14          1HB       SER  14  -6.761  -2.715  -3.334
  109    HG   SER  14           HG       SER  14  -8.753  -4.394  -2.217
  110    H    ILE  15           H        ILE  15  -6.331  -2.635   0.831
  111    HA   ILE  15           HA       ILE  15  -3.935  -1.336   0.849
  112    HB   ILE  15           HB       ILE  15  -4.979  -3.781   1.909
  113   1HG1  ILE  15          2HG1      ILE  15  -4.153  -1.385   2.782
  114   2HG1  ILE  15          1HG1      ILE  15  -4.310  -2.784   3.836
  115   1HG2  ILE  15          1HG2      ILE  15  -2.015  -3.771   1.276
  116   2HG2  ILE  15          3HG2      ILE  15  -2.754  -4.834   2.476
  117   3HG2  ILE  15          2HG2      ILE  15  -3.202  -4.976   0.777
  118   1HD1  ILE  15          1HD1      ILE  15  -1.748  -2.236   2.332
  119   2HD1  ILE  15          3HD1      ILE  15  -2.067  -1.451   3.883
  120   3HD1  ILE  15          2HD1      ILE  15  -1.973  -3.210   3.788
  121    H    GLN  16           H        GLN  16  -4.889  -4.051  -1.031
  122    HA   GLN  16           HA       GLN  16  -2.805  -5.047  -2.435
  123   1HB   GLN  16          2HB       GLN  16  -4.712  -5.733  -3.509
  124   2HB   GLN  16          1HB       GLN  16  -5.606  -4.341  -2.888
  125   1HG   GLN  16          2HG       GLN  16  -5.721  -4.129  -5.226
  126   2HG   GLN  16          1HG       GLN  16  -4.482  -2.982  -4.743
  127   1HE2  GLN  16          2HE2      GLN  16  -1.965  -5.662  -5.851
  128   2HE2  GLN  16          1HE2      GLN  16  -2.395  -5.122  -4.304
  129    H    ASP  17           H        ASP  17  -4.231  -1.784  -2.751
  130    HA   ASP  17           HA       ASP  17  -2.150  -1.049  -4.723
  131   1HB   ASP  17          2HB       ASP  17  -4.389  -0.133  -5.067
  132   2HB   ASP  17          1HB       ASP  17  -4.377   0.572  -3.451
  133    H    LEU  18           H        LEU  18  -3.030  -0.061  -1.385
  134    HA   LEU  18           HA       LEU  18  -0.924   1.772  -0.964
  135   1HB   LEU  18          2HB       LEU  18  -2.498   1.401   0.829
  136   2HB   LEU  18          1HB       LEU  18  -2.117  -0.321   0.886
  137    HG   LEU  18           HG       LEU  18   0.123   0.148   1.681
  138   1HD1  LEU  18          1HD1      LEU  18  -0.461   2.754   0.576
  139   2HD1  LEU  18          3HD1      LEU  18   0.066   2.914   2.252
  140   3HD1  LEU  18          2HD1      LEU  18   1.094   2.090   1.078
  141   1HD2  LEU  18          1HD2      LEU  18  -2.001   0.293   3.211
  142   2HD2  LEU  18          3HD2      LEU  18  -0.442   0.805   3.856
  143   3HD2  LEU  18          2HD2      LEU  18  -1.603   2.009   3.294
  144    H    ARG  19           H        ARG  19  -0.996  -1.637  -1.407
  145    HA   ARG  19           HA       ARG  19   1.682  -2.313  -0.572
  146   1HB   ARG  19          2HB       ARG  19   0.308  -4.176  -0.698
  147   2HB   ARG  19          1HB       ARG  19  -0.609  -3.530  -2.048
  148   1HG   ARG  19          2HG       ARG  19   1.367  -3.965  -3.527
  149   2HG   ARG  19          1HG       ARG  19   2.151  -4.777  -2.169
  150   1HD   ARG  19          2HD       ARG  19  -0.112  -5.668  -3.866
  151   2HD   ARG  19          1HD       ARG  19   1.127  -6.625  -3.055
  152    HE   ARG  19           HE       ARG  19  -1.161  -5.431  -1.540
  153   1HH1  ARG  19          1HH1      ARG  19   0.057  -8.247  -2.957
  154   2HH1  ARG  19          2HH1      ARG  19  -0.213  -9.256  -1.576
  155   1HH2  ARG  19          1HH2      ARG  19  -1.151  -6.632   0.490
  156   2HH2  ARG  19          2HH2      ARG  19  -0.899  -8.342   0.376
  157    H    ARG  20           H        ARG  20   0.147  -1.688  -3.737
  158    HA   ARG  20           HA       ARG  20   2.522  -1.989  -5.235
  159   1HB   ARG  20          2HB       ARG  20   1.390  -0.949  -7.045
  160   2HB   ARG  20          1HB       ARG  20   0.173  -1.836  -6.131
  161   1HG   ARG  20          2HG       ARG  20  -0.823   0.100  -5.344
  162   2HG   ARG  20          1HG       ARG  20   0.673   1.033  -5.435
  163   1HD   ARG  20          2HD       ARG  20  -0.326   1.885  -7.315
  164   2HD   ARG  20          1HD       ARG  20   0.378   0.437  -8.041
  165    HE   ARG  20           HE       ARG  20  -2.320   0.067  -6.946
  166   1HH1  ARG  20          1HH1      ARG  20  -3.890   0.903  -8.621
  167   2HH1  ARG  20          2HH1      ARG  20  -3.507   0.451 -10.249
  168   1HH2  ARG  20          1HH2      ARG  20  -0.272  -0.546  -9.492
  169   2HH2  ARG  20          2HH2      ARG  20  -1.458  -0.366 -10.742
  170    H    ARG  21           H        ARG  21   1.294   0.784  -3.433
  171    HA   ARG  21           HA       ARG  21   3.181   2.693  -4.423
  172   1HB   ARG  21          2HB       ARG  21   1.334   2.482  -2.210
  173   2HB   ARG  21          1HB       ARG  21   2.892   3.057  -1.603
  174   1HG   ARG  21          2HG       ARG  21   2.188   5.102  -2.296
  175   2HG   ARG  21          1HG       ARG  21   2.595   4.528  -3.914
  176   1HD   ARG  21          2HD       ARG  21   0.307   5.412  -3.890
  177   2HD   ARG  21          1HD       ARG  21   0.279   3.672  -4.173
  178    HE   ARG  21           HE       ARG  21  -0.136   3.580  -1.583
  179   1HH1  ARG  21          1HH1      ARG  21  -2.715   3.518  -2.360
  180   2HH1  ARG  21          2HH1      ARG  21  -3.416   5.069  -2.041
  181   1HH2  ARG  21          1HH2      ARG  21  -0.365   6.687  -1.761
  182   2HH2  ARG  21          2HH2      ARG  21  -2.088   6.859  -1.702
  183    H    PHE  22           H        PHE  22   3.369  -0.075  -2.361
  184    HA   PHE  22           HA       PHE  22   6.171   0.487  -1.659
  185   1HB   PHE  22          2HB       PHE  22   4.406  -1.791  -0.868
  186   2HB   PHE  22          1HB       PHE  22   5.994  -1.434  -0.193
  187    HD1  PHE  22          1HD       PHE  22   5.925   1.477  -0.104
  188    HD2  PHE  22          2HD       PHE  22   2.904  -1.404   0.876
  189    HE1  PHE  22          1HE       PHE  22   4.851   3.117   1.388
  190    HE2  PHE  22          2HE       PHE  22   1.834   0.241   2.380
  191    HZ   PHE  22           HZ       PHE  22   2.818   2.483   2.601
  192    H    PHE  23           H        PHE  23   4.174  -1.429  -3.758
  193    HA   PHE  23           HA       PHE  23   5.317  -3.672  -4.576
  194   1HB   PHE  23          2HB       PHE  23   4.317  -1.438  -6.171
  195   2HB   PHE  23          1HB       PHE  23   5.496  -2.405  -7.034
  196    HD1  PHE  23          1HD       PHE  23   2.631  -2.030  -7.710
  197    HD2  PHE  23          2HD       PHE  23   4.630  -5.032  -5.381
  198    HE1  PHE  23          1HE       PHE  23   0.828  -3.630  -8.224
  199    HE2  PHE  23          2HE       PHE  23   2.820  -6.625  -5.897
  200    HZ   PHE  23           HZ       PHE  23   0.946  -5.892  -7.311
  201    H    LEU  24           H        LEU  24   6.644  -0.984  -6.417
  202    HA   LEU  24           HA       LEU  24   9.141  -2.140  -6.968
  203   1HB   LEU  24          2HB       LEU  24   8.666   0.827  -6.573
  204   2HB   LEU  24          1HB       LEU  24   9.873   0.065  -7.610
  205    HG   LEU  24           HG       LEU  24   7.353  -1.011  -8.355
  206   1HD1  LEU  24          2HD1      LEU  24   6.677   1.239  -7.133
  207   2HD1  LEU  24          1HD1      LEU  24   7.239   1.973  -8.635
  208   3HD1  LEU  24          3HD1      LEU  24   5.923   0.798  -8.666
  209   1HD2  LEU  24          2HD2      LEU  24   9.657   0.272  -9.496
  210   2HD2  LEU  24          1HD2      LEU  24   8.474  -0.764 -10.295
  211   3HD2  LEU  24          3HD2      LEU  24   8.205   0.977 -10.208
  212    H    HIS  25           H        HIS  25   8.125  -0.147  -4.196
  213    HA   HIS  25           HA       HIS  25  10.546   0.403  -2.961
  214   1HB   HIS  25          2HB       HIS  25   7.931   0.410  -2.136
  215   2HB   HIS  25          1HB       HIS  25   8.622  -0.849  -1.109
  216    HD1  HIS  25          1HD       HIS  25   8.345   2.770  -1.425
  217    HD2  HIS  25          2HD       HIS  25  11.065   0.134   0.320
  218    HE1  HIS  25          1HE       HIS  25   9.736   4.140   0.190
  219    H    HIS  26           H        HIS  26   8.865  -2.749  -2.945
  220    HA   HIS  26           HA       HIS  26  10.921  -4.030  -1.397
  221   1HB   HIS  26          2HB       HIS  26   9.045  -5.496  -3.167
  222   2HB   HIS  26          1HB       HIS  26   9.714  -6.001  -1.613
  223    HD1  HIS  26          1HD       HIS  26   9.219  -3.950   0.241
  224    HD2  HIS  26          2HD       HIS  26   6.495  -4.644  -2.814
  225    HE1  HIS  26          1HE       HIS  26   7.148  -2.774   0.912
  226    H    LEU  27           H        LEU  27   9.754  -4.308  -4.691
  227    HA   LEU  27           HA       LEU  27  11.162  -6.031  -6.037
  228   1HB   LEU  27          2HB       LEU  27  10.959  -3.119  -6.825
  229   2HB   LEU  27          1HB       LEU  27  11.481  -4.390  -7.931
  230    HG   LEU  27           HG       LEU  27   8.816  -4.232  -6.495
  231   1HD1  LEU  27          1HD1      LEU  27   9.651  -3.027  -8.850
  232   2HD1  LEU  27          3HD1      LEU  27   8.883  -4.512  -9.412
  233   3HD1  LEU  27          2HD1      LEU  27   7.977  -3.374  -8.415
  234   1HD2  LEU  27          2HD2      LEU  27  10.249  -6.439  -7.881
  235   2HD2  LEU  27          1HD2      LEU  27   9.025  -6.515  -6.614
  236   3HD2  LEU  27          3HD2      LEU  27   8.544  -6.243  -8.289
  237    H    ILE  28           H        ILE  28  12.826  -2.944  -6.425
  238    HA   ILE  28           HA       ILE  28  15.407  -4.058  -6.662
  239    HB   ILE  28           HB       ILE  28  14.488  -1.312  -5.775
  240   1HG1  ILE  28          2HG1      ILE  28  14.074  -2.006  -8.133
  241   2HG1  ILE  28          1HG1      ILE  28  15.227  -0.676  -8.026
  242   1HG2  ILE  28          3HG2      ILE  28  17.239  -2.484  -5.957
  243   2HG2  ILE  28          2HG2      ILE  28  17.000  -0.810  -6.459
  244   3HG2  ILE  28          1HG2      ILE  28  16.599  -1.304  -4.814
  245   1HD1  ILE  28          3HD1      ILE  28  16.816  -2.957  -7.826
  246   2HD1  ILE  28          2HD1      ILE  28  15.618  -3.379  -9.050
  247   3HD1  ILE  28          1HD1      ILE  28  16.625  -1.947  -9.259
  248    H    ALA  29           H        ALA  29  14.802  -1.922  -3.906
  249    HA   ALA  29           HA       ALA  29  16.597  -3.328  -2.209
  250   1HB   ALA  29          1HB       ALA  29  15.597  -0.888  -2.061
  251   2HB   ALA  29          3HB       ALA  29  14.367  -1.678  -1.075
  252   3HB   ALA  29          2HB       ALA  29  16.061  -1.743  -0.591
  253    H    GLU  30           H        GLU  30  15.967  -5.548  -2.185
  254    HA   GLU  30           HA       GLU  30  13.253  -6.195  -1.193
  255   1HB   GLU  30          2HB       GLU  30  14.004  -8.574  -1.578
  256   2HB   GLU  30          1HB       GLU  30  14.014  -7.567  -3.029
  257   1HG   GLU  30          2HG       GLU  30  16.413  -7.222  -2.836
  258   2HG   GLU  30          1HG       GLU  30  16.448  -8.074  -1.289
  259    H    ILE  31           H        ILE  31  12.900  -7.402   0.701
  260    HA   ILE  31           HA       ILE  31  15.211  -7.726   2.534
  261    HB   ILE  31           HB       ILE  31  13.989  -6.598   4.341
  262   1HG1  ILE  31          2HG1      ILE  31  12.001  -5.141   3.048
  263   2HG1  ILE  31          1HG1      ILE  31  11.831  -6.763   2.376
  264   1HG2  ILE  31          3HG2      ILE  31  15.511  -5.294   2.857
  265   2HG2  ILE  31          2HG2      ILE  31  14.125  -4.881   1.848
  266   3HG2  ILE  31          1HG2      ILE  31  14.204  -4.310   3.514
  267   1HD1  ILE  31          1HD1      ILE  31  12.269  -7.124   5.139
  268   2HD1  ILE  31          3HD1      ILE  31  11.106  -5.804   5.006
  269   3HD1  ILE  31          2HD1      ILE  31  10.758  -7.365   4.262
  270    H    HIS  32           H        HIS  32  14.965  -9.976   2.459
  271    HA   HIS  32           HA       HIS  32  13.279 -11.259   4.255
  272   1HB   HIS  32          2HB       HIS  32  11.720 -12.348   2.411
  273   2HB   HIS  32          1HB       HIS  32  11.276 -10.811   3.161
  274    HD1  HIS  32          1HD       HIS  32  13.101 -12.095   0.069
  275    HD2  HIS  32          2HD       HIS  32  11.008  -8.725   1.350
  276    HE1  HIS  32          1HE       HIS  32  12.899 -10.569  -1.944
  277    H    THR  33           H        THR  33  15.816 -11.759   3.728
  278    HA   THR  33           HA       THR  33  15.767 -14.477   2.576
  279    HB   THR  33           HB       THR  33  17.875 -12.541   1.619
  280    HG1  THR  33          1HG       THR  33  16.620 -12.230  -0.204
  281   1HG2  THR  33          2HG2      THR  33  17.986 -15.150   1.509
  282   2HG2  THR  33          1HG2      THR  33  16.820 -14.970   0.199
  283   3HG2  THR  33          3HG2      THR  33  18.409 -14.214   0.076
  284    H    ALA  34           H        ALA  34  17.428 -15.789   3.438
  285    HA   ALA  34           HA       ALA  34  19.029 -14.489   5.605
  286   1HB   ALA  34          1HB       ALA  34  17.220 -16.383   6.046
  287   2HB   ALA  34          3HB       ALA  34  18.536 -17.443   5.544
  288   3HB   ALA  34          2HB       ALA  34  18.746 -16.372   6.930
   
  No H/Q in entry =         288
  Start of MODEL   25
    1   1H    ALA   1          2HT       ALA   1 -23.537 -11.419  14.003
    2   2H    ALA   1          1HT       ALA   1 -22.828 -12.885  14.486
    3   3H    ALA   1          3HT       ALA   1 -23.652 -11.929  15.619
    4    HA   ALA   1           HA       ALA   1 -21.738 -10.981  16.150
    5   1HB   ALA   1          2HB       ALA   1 -20.863 -13.112  14.788
    6   2HB   ALA   1          1HB       ALA   1 -20.297 -11.857  13.686
    7   3HB   ALA   1          3HB       ALA   1 -19.757 -11.865  15.364
    8    H    VAL   2           H        VAL   2 -19.889  -9.480  14.946
    9    HA   VAL   2           HA       VAL   2 -21.083  -7.123  14.184
   10    HB   VAL   2           HB       VAL   2 -18.631  -7.436  14.564
   11   1HG1  VAL   2          1HG1      VAL   2 -18.963  -9.218  12.342
   12   2HG1  VAL   2          3HG1      VAL   2 -17.832  -7.948  11.877
   13   3HG1  VAL   2          2HG1      VAL   2 -17.515  -8.931  13.306
   14   1HG2  VAL   2          2HG2      VAL   2 -19.593  -5.384  13.487
   15   2HG2  VAL   2          1HG2      VAL   2 -17.941  -5.728  12.973
   16   3HG2  VAL   2          3HG2      VAL   2 -19.294  -6.120  11.913
   17    H    SER   3           H        SER   3 -21.452  -6.098  12.089
   18    HA   SER   3           HA       SER   3 -23.024  -7.569  10.296
   19   1HB   SER   3          2HB       SER   3 -23.030  -5.136  10.271
   20   2HB   SER   3          1HB       SER   3 -21.339  -5.102   9.769
   21    HG   SER   3           HG       SER   3 -23.173  -6.561   8.238
   22    H    GLU   4           H        GLU   4 -22.581  -8.424   8.166
   23    HA   GLU   4           HA       GLU   4 -19.940  -9.697   7.990
   24   1HB   GLU   4          2HB       GLU   4 -22.267 -10.739   7.436
   25   2HB   GLU   4          1HB       GLU   4 -22.095  -9.894   5.901
   26   1HG   GLU   4          2HG       GLU   4 -20.430 -11.277   5.177
   27   2HG   GLU   4          1HG       GLU   4 -19.709 -11.407   6.781
   28    H    HIS   5           H        HIS   5 -21.741  -7.134   6.385
   29    HA   HIS   5           HA       HIS   5 -20.412  -6.812   3.996
   30   1HB   HIS   5          2HB       HIS   5 -22.121  -5.248   5.397
   31   2HB   HIS   5          1HB       HIS   5 -20.624  -4.327   5.541
   32    HD1  HIS   5          1HD       HIS   5 -19.393  -3.752   3.200
   33    HD2  HIS   5          2HD       HIS   5 -23.351  -5.024   2.934
   34    HE1  HIS   5          1HE       HIS   5 -20.196  -3.107   0.886
   35    H    GLN   6           H        GLN   6 -19.118  -6.079   7.208
   36    HA   GLN   6           HA       GLN   6 -16.856  -4.619   6.555
   37   1HB   GLN   6          2HB       GLN   6 -17.610  -6.396   8.684
   38   2HB   GLN   6          1HB       GLN   6 -15.902  -6.594   8.298
   39   1HG   GLN   6          2HG       GLN   6 -16.813  -3.794   8.367
   40   2HG   GLN   6          1HG       GLN   6 -16.905  -4.622   9.921
   41   1HE2  GLN   6          2HE2      GLN   6 -13.363  -4.955  10.256
   42   2HE2  GLN   6          1HE2      GLN   6 -14.871  -5.542  10.797
   43    H    LEU   7           H        LEU   7 -14.564  -5.476   6.206
   44    HA   LEU   7           HA       LEU   7 -13.069  -6.765   4.925
   45   1HB   LEU   7          2HB       LEU   7 -14.964  -8.677   5.978
   46   2HB   LEU   7          1HB       LEU   7 -14.578  -9.102   4.310
   47    HG   LEU   7           HG       LEU   7 -12.383  -8.370   6.234
   48   1HD1  LEU   7          3HD1      LEU   7 -13.895 -10.218   7.170
   49   2HD1  LEU   7          2HD1      LEU   7 -13.366 -11.195   5.801
   50   3HD1  LEU   7          1HD1      LEU   7 -12.190 -10.623   6.982
   51   1HD2  LEU   7          1HD2      LEU   7 -12.174  -8.673   3.654
   52   2HD2  LEU   7          3HD2      LEU   7 -10.997  -9.485   4.688
   53   3HD2  LEU   7          2HD2      LEU   7 -12.343 -10.395   4.001
   54    H    LEU   8           H        LEU   8 -16.353  -7.721   3.701
   55    HA   LEU   8           HA       LEU   8 -15.725  -7.434   0.994
   56   1HB   LEU   8          2HB       LEU   8 -17.780  -8.463   1.441
   57   2HB   LEU   8          1HB       LEU   8 -18.210  -7.233   2.622
   58    HG   LEU   8           HG       LEU   8 -18.434  -5.568   0.861
   59   1HD1  LEU   8          2HD1      LEU   8 -16.796  -7.350  -0.509
   60   2HD1  LEU   8          1HD1      LEU   8 -18.333  -7.427  -1.375
   61   3HD1  LEU   8          3HD1      LEU   8 -17.512  -5.879  -1.170
   62   1HD2  LEU   8          2HD2      LEU   8 -19.993  -8.067   0.909
   63   2HD2  LEU   8          1HD2      LEU   8 -20.545  -6.393   1.005
   64   3HD2  LEU   8          3HD2      LEU   8 -20.181  -7.114  -0.563
   65    H    HIS   9           H        HIS   9 -17.004  -5.267   3.420
   66    HA   HIS   9           HA       HIS   9 -17.442  -2.901   2.121
   67   1HB   HIS   9          2HB       HIS   9 -17.804  -2.780   4.389
   68   2HB   HIS   9          1HB       HIS   9 -16.329  -3.653   4.804
   69    HD1  HIS   9          1HD       HIS   9 -14.848  -2.020   6.067
   70    HD2  HIS   9          2HD       HIS   9 -16.874  -0.317   2.901
   71    HE1  HIS   9          1HE       HIS   9 -14.057   0.392   5.957
   72    H    ASP  10           H        ASP  10 -14.371  -3.124   3.827
   73    HA   ASP  10           HA       ASP  10 -13.083  -1.520   1.798
   74   1HB   ASP  10          2HB       ASP  10 -12.653  -1.201   4.205
   75   2HB   ASP  10          1HB       ASP  10 -11.991  -2.825   4.289
   76    H    LYS  11           H        LYS  11 -10.880  -3.765   3.079
   77    HA   LYS  11           HA       LYS  11  -9.457  -5.198   1.861
   78   1HB   LYS  11          2HB       LYS  11 -11.819  -6.349   2.684
   79   2HB   LYS  11          1HB       LYS  11 -11.723  -6.834   0.986
   80   1HG   LYS  11          2HG       LYS  11  -9.655  -7.289   3.153
   81   2HG   LYS  11          1HG       LYS  11 -10.552  -8.512   2.254
   82   1HD   LYS  11          2HD       LYS  11  -9.451  -7.766   0.161
   83   2HD   LYS  11          1HD       LYS  11  -8.521  -6.585   1.084
   84   1HE   LYS  11          2HE       LYS  11  -8.265  -9.139   2.356
   85   2HE   LYS  11          1HE       LYS  11  -7.901  -9.324   0.640
   86   1HZ   LYS  11          2HZ       LYS  11  -6.437  -7.335   0.874
   87   2HZ   LYS  11          1HZ       LYS  11  -6.655  -7.438   2.557
   88   3HZ   LYS  11          3HZ       LYS  11  -5.904  -8.709   1.720
   89    H    GLY  12           H        GLY  12 -10.478  -2.977   0.216
   90   1HA   GLY  12          2HA       GLY  12 -10.002  -4.236  -2.419
   91   2HA   GLY  12          1HA       GLY  12 -11.504  -3.328  -2.238
   92    H    LYS  13           H        LYS  13 -10.428  -1.294  -0.494
   93    HA   LYS  13           HA       LYS  13  -9.497   0.591  -2.356
   94   1HB   LYS  13          2HB       LYS  13  -8.872   0.743   0.541
   95   2HB   LYS  13          1HB       LYS  13  -9.230   2.072  -0.555
   96   1HG   LYS  13          2HG       LYS  13 -11.145   0.020   0.592
   97   2HG   LYS  13          1HG       LYS  13 -11.202   1.778   0.757
   98   1HD   LYS  13          2HD       LYS  13 -11.193   1.191  -2.030
   99   2HD   LYS  13          1HD       LYS  13 -12.399   0.151  -1.276
  100   1HE   LYS  13          2HE       LYS  13 -12.263   3.070  -0.560
  101   2HE   LYS  13          1HE       LYS  13 -13.100   2.555  -2.023
  102   1HZ   LYS  13          1HZ       LYS  13 -13.669   1.173   0.502
  103   2HZ   LYS  13          3HZ       LYS  13 -14.357   2.700   0.236
  104   3HZ   LYS  13          2HZ       LYS  13 -14.677   1.427  -0.842
  105    H    SER  14           H        SER  14  -7.313   1.776  -1.029
  106    HA   SER  14           HA       SER  14  -5.275   0.373  -2.415
  107   1HB   SER  14          2HB       SER  14  -4.677   2.404  -0.293
  108   2HB   SER  14          1HB       SER  14  -3.791   2.053  -1.781
  109    HG   SER  14           HG       SER  14  -4.951   3.827  -2.270
  110    H    ILE  15           H        ILE  15  -5.983  -1.602  -1.234
  111    HA   ILE  15           HA       ILE  15  -4.178  -2.066   1.086
  112    HB   ILE  15           HB       ILE  15  -5.787  -4.292   0.848
  113   1HG1  ILE  15          2HG1      ILE  15  -8.116  -3.076   0.978
  114   2HG1  ILE  15          1HG1      ILE  15  -7.324  -1.860   0.001
  115   1HG2  ILE  15          1HG2      ILE  15  -5.781  -1.882   2.614
  116   2HG2  ILE  15          3HG2      ILE  15  -7.081  -3.059   2.804
  117   3HG2  ILE  15          2HG2      ILE  15  -5.401  -3.559   3.010
  118   1HD1  ILE  15          2HD1      ILE  15  -6.678  -4.483  -1.002
  119   2HD1  ILE  15          1HD1      ILE  15  -8.426  -4.309  -0.881
  120   3HD1  ILE  15          3HD1      ILE  15  -7.489  -3.160  -1.831
  121    H    GLN  16           H        GLN  16  -5.538  -3.183  -1.921
  122    HA   GLN  16           HA       GLN  16  -3.480  -5.179  -2.457
  123   1HB   GLN  16          2HB       GLN  16  -5.481  -3.752  -4.255
  124   2HB   GLN  16          1HB       GLN  16  -4.509  -5.149  -4.727
  125   1HG   GLN  16          2HG       GLN  16  -5.724  -5.972  -2.362
  126   2HG   GLN  16          1HG       GLN  16  -6.990  -5.055  -3.180
  127   1HE2  GLN  16          2HE2      GLN  16  -6.276  -8.745  -4.443
  128   2HE2  GLN  16          1HE2      GLN  16  -5.854  -8.145  -2.913
  129    H    ASP  17           H        ASP  17  -4.147  -1.797  -2.709
  130    HA   ASP  17           HA       ASP  17  -1.937  -1.275  -4.576
  131   1HB   ASP  17          2HB       ASP  17  -4.307   0.050  -4.008
  132   2HB   ASP  17          1HB       ASP  17  -3.108   1.020  -3.154
  133    H    LEU  18           H        LEU  18  -2.674  -0.926  -1.063
  134    HA   LEU  18           HA       LEU  18  -0.361   0.553  -0.342
  135   1HB   LEU  18          2HB       LEU  18  -0.684  -0.221   1.845
  136   2HB   LEU  18          1HB       LEU  18  -2.281  -0.502   1.167
  137    HG   LEU  18           HG       LEU  18  -1.266  -2.850   0.518
  138   1HD1  LEU  18          1HD1      LEU  18   0.660  -1.682   2.466
  139   2HD1  LEU  18          3HD1      LEU  18   0.243  -3.382   2.671
  140   3HD1  LEU  18          2HD1      LEU  18   0.946  -2.823   1.153
  141   1HD2  LEU  18          3HD2      LEU  18  -2.939  -1.940   2.500
  142   2HD2  LEU  18          2HD2      LEU  18  -2.577  -3.640   2.208
  143   3HD2  LEU  18          1HD2      LEU  18  -1.683  -2.749   3.439
  144    H    ARG  19           H        ARG  19  -0.850  -2.624  -1.519
  145    HA   ARG  19           HA       ARG  19   1.754  -3.748  -0.980
  146   1HB   ARG  19          2HB       ARG  19   0.095  -5.353  -1.385
  147   2HB   ARG  19          1HB       ARG  19  -0.691  -4.365  -2.597
  148   1HG   ARG  19          2HG       ARG  19   1.266  -4.775  -4.121
  149   2HG   ARG  19          1HG       ARG  19   1.870  -5.942  -2.939
  150   1HD   ARG  19          2HD       ARG  19  -0.468  -6.122  -4.773
  151   2HD   ARG  19          1HD       ARG  19   0.628  -7.390  -4.226
  152    HE   ARG  19           HE       ARG  19  -1.830  -6.519  -2.865
  153   1HH1  ARG  19          1HH1      ARG  19  -1.042  -6.724  -0.430
  154   2HH1  ARG  19          2HH1      ARG  19  -0.511  -8.335  -0.079
  155   1HH2  ARG  19          1HH2      ARG  19  -0.183  -9.237  -3.410
  156   2HH2  ARG  19          2HH2      ARG  19  -0.022  -9.757  -1.766
  157    H    ARG  20           H        ARG  20   0.178  -2.358  -3.876
  158    HA   ARG  20           HA       ARG  20   2.642  -2.448  -5.365
  159   1HB   ARG  20          2HB       ARG  20   1.451  -1.563  -7.151
  160   2HB   ARG  20          1HB       ARG  20   0.188  -2.367  -6.219
  161   1HG   ARG  20          2HG       ARG  20  -0.505  -0.275  -5.228
  162   2HG   ARG  20          1HG       ARG  20   0.875   0.569  -5.936
  163   1HD   ARG  20          2HD       ARG  20  -1.036  -0.912  -7.720
  164   2HD   ARG  20          1HD       ARG  20  -1.456   0.700  -7.139
  165    HE   ARG  20           HE       ARG  20   1.124   0.978  -8.136
  166   1HH1  ARG  20          1HH1      ARG  20  -1.042   2.476  -9.414
  167   2HH1  ARG  20          2HH1      ARG  20  -1.132   1.779 -10.998
  168   1HH2  ARG  20          1HH2      ARG  20   0.639  -1.075 -10.134
  169   2HH2  ARG  20          2HH2      ARG  20  -0.179  -0.230 -11.406
  170    H    ARG  21           H        ARG  21   1.056  -0.078  -3.319
  171    HA   ARG  21           HA       ARG  21   2.668   2.186  -3.955
  172   1HB   ARG  21          2HB       ARG  21   1.074   1.248  -1.640
  173   2HB   ARG  21          1HB       ARG  21   2.433   2.281  -1.194
  174   1HG   ARG  21          2HG       ARG  21   0.932   3.952  -1.634
  175   2HG   ARG  21          1HG       ARG  21   1.464   3.684  -3.295
  176   1HD   ARG  21          2HD       ARG  21  -0.963   3.668  -3.259
  177   2HD   ARG  21          1HD       ARG  21  -0.400   2.025  -3.561
  178    HE   ARG  21           HE       ARG  21  -1.535   1.436  -1.595
  179   1HH1  ARG  21          1HH1      ARG  21  -1.860   1.680   0.653
  180   2HH1  ARG  21          2HH1      ARG  21  -1.836   3.275   1.330
  181   1HH2  ARG  21          1HH2      ARG  21  -0.867   4.799  -1.632
  182   2HH2  ARG  21          2HH2      ARG  21  -1.274   5.042   0.035
  183    H    PHE  22           H        PHE  22   3.211  -0.824  -2.337
  184    HA   PHE  22           HA       PHE  22   5.947  -0.097  -1.547
  185   1HB   PHE  22          2HB       PHE  22   4.448  -2.647  -1.154
  186   2HB   PHE  22          1HB       PHE  22   5.988  -2.229  -0.409
  187    HD1  PHE  22          1HD       PHE  22   4.802   0.828  -0.424
  188    HD2  PHE  22          2HD       PHE  22   3.673  -2.967   1.244
  189    HE1  PHE  22          1HE       PHE  22   3.544   1.984   1.341
  190    HE2  PHE  22          2HE       PHE  22   2.419  -1.793   3.022
  191    HZ   PHE  22           HZ       PHE  22   2.371   0.666   3.025
  192    H    PHE  23           H        PHE  23   4.123  -1.989  -3.856
  193    HA   PHE  23           HA       PHE  23   5.540  -3.905  -5.002
  194   1HB   PHE  23          2HB       PHE  23   4.088  -1.693  -6.220
  195   2HB   PHE  23          1HB       PHE  23   5.353  -2.312  -7.269
  196    HD1  PHE  23          1HD       PHE  23   3.752  -3.149  -8.852
  197    HD2  PHE  23          2HD       PHE  23   3.788  -4.473  -4.770
  198    HE1  PHE  23          1HE       PHE  23   2.277  -5.037  -9.454
  199    HE2  PHE  23          2HE       PHE  23   2.315  -6.368  -5.376
  200    HZ   PHE  23           HZ       PHE  23   1.575  -6.614  -7.711
  201    H    LEU  24           H        LEU  24   6.406  -0.850  -6.544
  202    HA   LEU  24           HA       LEU  24   9.029  -1.644  -7.241
  203   1HB   LEU  24          2HB       LEU  24   8.318   1.225  -6.629
  204   2HB   LEU  24          1HB       LEU  24   9.398   0.603  -7.876
  205    HG   LEU  24           HG       LEU  24   6.953  -0.616  -8.438
  206   1HD1  LEU  24          3HD1      LEU  24   6.458   1.714  -6.873
  207   2HD1  LEU  24          2HD1      LEU  24   6.004   2.087  -8.536
  208   3HD1  LEU  24          1HD1      LEU  24   5.283   0.703  -7.713
  209   1HD2  LEU  24          3HD2      LEU  24   8.228   1.891  -9.579
  210   2HD2  LEU  24          2HD2      LEU  24   8.530   0.233 -10.098
  211   3HD2  LEU  24          1HD2      LEU  24   6.951   0.970 -10.375
  212    H    HIS  25           H        HIS  25   7.904   0.230  -4.394
  213    HA   HIS  25           HA       HIS  25  10.410   0.757  -3.229
  214   1HB   HIS  25          2HB       HIS  25   7.651   0.376  -2.209
  215   2HB   HIS  25          1HB       HIS  25   8.934   0.133  -1.019
  216    HD1  HIS  25          1HD       HIS  25   7.830   2.442  -0.020
  217    HD2  HIS  25          2HD       HIS  25   9.992   2.779  -3.568
  218    HE1  HIS  25          1HE       HIS  25   8.394   4.897  -0.283
  219    H    HIS  26           H        HIS  26   8.391  -2.155  -2.669
  220    HA   HIS  26           HA       HIS  26  10.231  -3.579  -1.101
  221   1HB   HIS  26          2HB       HIS  26   7.783  -4.134  -2.084
  222   2HB   HIS  26          1HB       HIS  26   8.791  -5.124  -3.142
  223    HD1  HIS  26          1HD       HIS  26   9.337  -4.310   0.508
  224    HD2  HIS  26          2HD       HIS  26   8.680  -7.615  -1.938
  225    HE1  HIS  26          1HE       HIS  26   9.641  -6.338   1.967
  226    H    LEU  27           H        LEU  27   9.825  -3.634  -4.636
  227    HA   LEU  27           HA       LEU  27  12.256  -5.197  -5.012
  228   1HB   LEU  27          2HB       LEU  27  10.770  -3.617  -7.121
  229   2HB   LEU  27          1HB       LEU  27  11.775  -5.048  -7.348
  230    HG   LEU  27           HG       LEU  27   9.336  -5.169  -5.588
  231   1HD1  LEU  27          1HD1      LEU  27   9.200  -4.424  -8.264
  232   2HD1  LEU  27          3HD1      LEU  27   8.957  -6.170  -8.311
  233   3HD1  LEU  27          2HD1      LEU  27   7.896  -5.158  -7.331
  234   1HD2  LEU  27          1HD2      LEU  27  11.198  -6.977  -5.809
  235   2HD2  LEU  27          3HD2      LEU  27   9.517  -7.496  -5.929
  236   3HD2  LEU  27          2HD2      LEU  27  10.484  -7.299  -7.389
  237    H    ILE  28           H        ILE  28  13.915  -4.216  -6.655
  238    HA   ILE  28           HA       ILE  28  15.745  -2.724  -6.714
  239    HB   ILE  28           HB       ILE  28  15.096  -0.518  -7.565
  240   1HG1  ILE  28          2HG1      ILE  28  12.222  -1.292  -7.029
  241   2HG1  ILE  28          1HG1      ILE  28  13.158  -0.340  -5.876
  242   1HG2  ILE  28          3HG2      ILE  28  14.963  -2.470  -9.078
  243   2HG2  ILE  28          2HG2      ILE  28  13.291  -2.734  -8.584
  244   3HG2  ILE  28          1HG2      ILE  28  13.727  -1.274  -9.471
  245   1HD1  ILE  28          3HD1      ILE  28  13.610   0.836  -8.404
  246   2HD1  ILE  28          2HD1      ILE  28  11.876   0.529  -8.311
  247   3HD1  ILE  28          1HD1      ILE  28  12.667   1.502  -7.071
  248    H    ALA  29           H        ALA  29  14.432  -3.110  -3.963
  249    HA   ALA  29           HA       ALA  29  14.786  -2.248  -1.820
  250   1HB   ALA  29          2HB       ALA  29  17.077  -1.694  -3.228
  251   2HB   ALA  29          1HB       ALA  29  16.592  -0.089  -2.683
  252   3HB   ALA  29          3HB       ALA  29  16.858  -1.376  -1.507
  253    H    GLU  30           H        GLU  30  14.329  -0.315  -0.504
  254    HA   GLU  30           HA       GLU  30  12.964   1.870  -2.004
  255   1HB   GLU  30          2HB       GLU  30  11.311   1.726   0.082
  256   2HB   GLU  30          1HB       GLU  30  11.051   0.733  -1.354
  257   1HG   GLU  30          2HG       GLU  30  11.923  -1.198  -0.328
  258   2HG   GLU  30          1HG       GLU  30  12.756  -0.269   0.922
  259    H    ILE  31           H        ILE  31  15.315   2.574  -1.280
  260    HA   ILE  31           HA       ILE  31  15.180   3.665   1.496
  261    HB   ILE  31           HB       ILE  31  17.603   3.383  -0.287
  262   1HG1  ILE  31          2HG1      ILE  31  16.518   1.186   0.304
  263   2HG1  ILE  31          1HG1      ILE  31  18.146   1.370   0.958
  264   1HG2  ILE  31          3HG2      ILE  31  17.167   4.829   2.076
  265   2HG2  ILE  31          2HG2      ILE  31  18.023   3.375   2.588
  266   3HG2  ILE  31          1HG2      ILE  31  18.730   4.430   1.363
  267   1HD1  ILE  31          3HD1      ILE  31  16.157   2.457   2.779
  268   2HD1  ILE  31          2HD1      ILE  31  15.828   0.764   2.411
  269   3HD1  ILE  31          1HD1      ILE  31  17.391   1.233   3.078
  270    H    HIS  32           H        HIS  32  13.791   4.889  -0.646
  271    HA   HIS  32           HA       HIS  32  15.011   6.946  -2.042
  272   1HB   HIS  32          2HB       HIS  32  12.332   6.552  -0.851
  273   2HB   HIS  32          1HB       HIS  32  12.766   8.233  -1.186
  274    HD1  HIS  32          1HD       HIS  32  13.845   8.555  -3.737
  275    HD2  HIS  32          2HD       HIS  32  11.381   5.254  -3.094
  276    HE1  HIS  32          1HE       HIS  32  13.094   7.768  -6.023
  277    H    THR  33           H        THR  33  16.577   8.271  -1.223
  278    HA   THR  33           HA       THR  33  17.441  10.047   0.072
  279    HB   THR  33           HB       THR  33  15.135   9.967   1.970
  280    HG1  THR  33          1HG       THR  33  14.954  11.030  -0.648
  281   1HG2  THR  33          3HG2      THR  33  17.214  11.656   1.640
  282   2HG2  THR  33          2HG2      THR  33  16.047  12.416   0.559
  283   3HG2  THR  33          1HG2      THR  33  15.649  12.179   2.260
  284    H    ALA  34           H        ALA  34  19.066   9.604   1.480
  285    HA   ALA  34           HA       ALA  34  18.590   7.476   3.523
  286   1HB   ALA  34          2HB       ALA  34  20.554   7.573   1.632
  287   2HB   ALA  34          1HB       ALA  34  21.364   8.356   2.988
  288   3HB   ALA  34          3HB       ALA  34  20.715   6.726   3.171
   
  No H/Q in entry =         288
  Start of MODEL   26
    1   1H    ALA   1          2HT       ALA   1 -20.662 -14.552  14.213
    2   2H    ALA   1          1HT       ALA   1 -20.757 -14.128  15.855
    3   3H    ALA   1          3HT       ALA   1 -22.147 -14.639  15.031
    4    HA   ALA   1           HA       ALA   1 -22.588 -12.613  14.281
    5   1HB   ALA   1          1HB       ALA   1 -20.490 -12.220  16.367
    6   2HB   ALA   1          3HB       ALA   1 -20.924 -10.821  15.387
    7   3HB   ALA   1          2HB       ALA   1 -22.159 -11.651  16.332
    8    H    VAL   2           H        VAL   2 -22.235 -12.050  12.193
    9    HA   VAL   2           HA       VAL   2 -20.012 -12.506  10.634
   10    HB   VAL   2           HB       VAL   2 -22.211 -11.593   9.830
   11   1HG1  VAL   2          1HG1      VAL   2 -22.088  -9.712  11.623
   12   2HG1  VAL   2          3HG1      VAL   2 -21.080  -8.868  10.448
   13   3HG1  VAL   2          2HG1      VAL   2 -22.738  -9.306  10.034
   14   1HG2  VAL   2          2HG2      VAL   2 -19.697 -10.134   8.955
   15   2HG2  VAL   2          1HG2      VAL   2 -20.277 -11.676   8.326
   16   3HG2  VAL   2          3HG2      VAL   2 -21.196 -10.202   8.029
   17    H    SER   3           H        SER   3 -18.258 -11.089   9.885
   18    HA   SER   3           HA       SER   3 -16.872  -9.810  12.059
   19   1HB   SER   3          2HB       SER   3 -15.632 -10.808  10.207
   20   2HB   SER   3          1HB       SER   3 -16.397  -9.702   9.065
   21    HG   SER   3           HG       SER   3 -14.311  -9.303  10.808
   22    H    GLU   4           H        GLU   4 -16.482  -7.563  12.389
   23    HA   GLU   4           HA       GLU   4 -18.678  -5.836  11.458
   24   1HB   GLU   4          2HB       GLU   4 -17.820  -5.836  13.837
   25   2HB   GLU   4          1HB       GLU   4 -16.340  -5.097  13.236
   26   1HG   GLU   4          2HG       GLU   4 -18.126  -3.447  12.085
   27   2HG   GLU   4          1HG       GLU   4 -19.067  -3.934  13.495
   28    H    HIS   5           H        HIS   5 -15.204  -5.070  11.774
   29    HA   HIS   5           HA       HIS   5 -15.057  -3.043   9.926
   30   1HB   HIS   5          2HB       HIS   5 -13.194  -4.827  11.145
   31   2HB   HIS   5          1HB       HIS   5 -12.747  -4.576   9.458
   32    HD1  HIS   5          1HD       HIS   5 -12.932  -1.845   8.765
   33    HD2  HIS   5          2HD       HIS   5 -12.239  -2.828  12.754
   34    HE1  HIS   5          1HE       HIS   5 -11.970   0.230   9.855
   35    H    GLN   6           H        GLN   6 -15.313  -6.482   9.221
   36    HA   GLN   6           HA       GLN   6 -14.573  -6.552   6.548
   37   1HB   GLN   6          2HB       GLN   6 -16.457  -8.019   8.220
   38   2HB   GLN   6          1HB       GLN   6 -16.904  -8.012   6.516
   39   1HG   GLN   6          2HG       GLN   6 -14.071  -8.439   6.747
   40   2HG   GLN   6          1HG       GLN   6 -14.912  -9.594   7.782
   41   1HE2  GLN   6          2HE2      GLN   6 -15.509 -11.590   4.936
   42   2HE2  GLN   6          1HE2      GLN   6 -14.906 -11.495   6.529
   43    H    LEU   7           H        LEU   7 -16.218  -6.495   4.597
   44    HA   LEU   7           HA       LEU   7 -17.836  -5.272   3.374
   45   1HB   LEU   7          2HB       LEU   7 -18.844  -5.253   6.057
   46   2HB   LEU   7          1HB       LEU   7 -18.988  -3.616   5.416
   47    HG   LEU   7           HG       LEU   7 -19.753  -5.503   3.382
   48   1HD1  LEU   7          3HD1      LEU   7 -20.225  -6.956   5.376
   49   2HD1  LEU   7          2HD1      LEU   7 -21.328  -5.711   5.964
   50   3HD1  LEU   7          1HD1      LEU   7 -21.667  -6.547   4.448
   51   1HD2  LEU   7          2HD2      LEU   7 -21.055  -3.276   4.947
   52   2HD2  LEU   7          1HD2      LEU   7 -20.578  -3.294   3.250
   53   3HD2  LEU   7          3HD2      LEU   7 -21.981  -4.222   3.783
   54    H    LEU   8           H        LEU   8 -16.807  -3.223   6.156
   55    HA   LEU   8           HA       LEU   8 -16.221  -1.014   4.441
   56   1HB   LEU   8          2HB       LEU   8 -16.933  -0.491   6.639
   57   2HB   LEU   8          1HB       LEU   8 -15.793  -1.640   7.328
   58    HG   LEU   8           HG       LEU   8 -13.915  -0.306   6.620
   59   1HD1  LEU   8          3HD1      LEU   8 -15.893   0.738   4.837
   60   2HD1  LEU   8          2HD1      LEU   8 -15.176   2.080   5.731
   61   3HD1  LEU   8          1HD1      LEU   8 -14.149   0.989   4.799
   62   1HD2  LEU   8          2HD2      LEU   8 -16.128   1.084   8.102
   63   2HD2  LEU   8          1HD2      LEU   8 -14.604   0.452   8.725
   64   3HD2  LEU   8          3HD2      LEU   8 -14.619   1.939   7.778
   65    H    HIS   9           H        HIS   9 -14.513  -3.548   6.141
   66    HA   HIS   9           HA       HIS   9 -11.863  -2.743   5.781
   67   1HB   HIS   9          2HB       HIS   9 -12.173  -4.566   7.189
   68   2HB   HIS   9          1HB       HIS   9 -13.199  -5.432   6.042
   69    HD1  HIS   9          1HD       HIS   9 -11.824  -7.485   5.403
   70    HD2  HIS   9          2HD       HIS   9  -9.640  -3.981   5.554
   71    HE1  HIS   9          1HE       HIS   9  -9.495  -8.087   4.590
   72    H    ASP  10           H        ASP  10 -14.147  -3.792   3.465
   73    HA   ASP  10           HA       ASP  10 -13.782  -4.781   1.281
   74   1HB   ASP  10          2HB       ASP  10 -14.554  -2.601   0.996
   75   2HB   ASP  10          1HB       ASP  10 -13.042  -1.901   1.581
   76    H    LYS  11           H        LYS  11 -12.201  -6.268   0.788
   77    HA   LYS  11           HA       LYS  11  -9.400  -5.779   1.179
   78   1HB   LYS  11          2HB       LYS  11 -11.057  -8.005   0.542
   79   2HB   LYS  11          1HB       LYS  11  -9.789  -7.901  -0.684
   80   1HG   LYS  11          2HG       LYS  11  -9.344  -7.894   2.319
   81   2HG   LYS  11          1HG       LYS  11  -9.042  -9.256   1.239
   82   1HD   LYS  11          2HD       LYS  11  -7.607  -7.380  -0.050
   83   2HD   LYS  11          1HD       LYS  11  -7.492  -6.736   1.589
   84   1HE   LYS  11          2HE       LYS  11  -7.045  -9.662   1.269
   85   2HE   LYS  11          1HE       LYS  11  -5.785  -8.595   0.651
   86   1HZ   LYS  11          3HZ       LYS  11  -6.267  -7.460   2.997
   87   2HZ   LYS  11          2HZ       LYS  11  -6.643  -9.070   3.387
   88   3HZ   LYS  11          1HZ       LYS  11  -5.104  -8.675   2.782
   89    H    GLY  12           H        GLY  12 -11.216  -4.213  -0.968
   90   1HA   GLY  12          2HA       GLY  12  -9.279  -4.514  -3.216
   91   2HA   GLY  12          1HA       GLY  12 -10.907  -3.848  -3.379
   92    H    LYS  13           H        LYS  13 -10.082  -2.560  -0.587
   93    HA   LYS  13           HA       LYS  13  -9.675   0.052  -1.491
   94   1HB   LYS  13          2HB       LYS  13  -8.992  -1.252   1.099
   95   2HB   LYS  13          1HB       LYS  13  -8.853   0.481   0.849
   96   1HG   LYS  13          2HG       LYS  13 -11.378  -1.167   0.543
   97   2HG   LYS  13          1HG       LYS  13 -11.020  -0.064   1.877
   98   1HD   LYS  13          2HD       LYS  13 -10.674   1.702  -0.035
   99   2HD   LYS  13          1HD       LYS  13 -11.643   0.580  -0.994
  100   1HE   LYS  13          2HE       LYS  13 -13.412   0.650   0.743
  101   2HE   LYS  13          1HE       LYS  13 -12.453   1.815   1.656
  102   1HZ   LYS  13          2HZ       LYS  13 -13.201   2.295  -1.163
  103   2HZ   LYS  13          1HZ       LYS  13 -14.236   2.721   0.114
  104   3HZ   LYS  13          3HZ       LYS  13 -12.695   3.420   0.006
  105    H    SER  14           H        SER  14  -7.473   1.102  -0.184
  106    HA   SER  14           HA       SER  14  -5.471   0.289  -2.092
  107   1HB   SER  14          2HB       SER  14  -4.815   2.275   0.015
  108   2HB   SER  14          1HB       SER  14  -4.376   2.246  -1.696
  109    HG   SER  14           HG       SER  14  -6.879   2.440  -1.839
  110    H    ILE  15           H        ILE  15  -5.843  -1.778  -0.747
  111    HA   ILE  15           HA       ILE  15  -3.570  -2.062   1.153
  112    HB   ILE  15           HB       ILE  15  -5.159  -4.388   1.106
  113   1HG1  ILE  15          2HG1      ILE  15  -7.318  -3.167   2.007
  114   2HG1  ILE  15          1HG1      ILE  15  -6.780  -1.869   0.973
  115   1HG2  ILE  15          1HG2      ILE  15  -3.867  -3.166   2.993
  116   2HG2  ILE  15          3HG2      ILE  15  -5.366  -2.269   3.232
  117   3HG2  ILE  15          2HG2      ILE  15  -5.347  -4.021   3.431
  118   1HD1  ILE  15          1HD1      ILE  15  -6.751  -4.590  -0.207
  119   2HD1  ILE  15          3HD1      ILE  15  -8.338  -3.888   0.102
  120   3HD1  ILE  15          2HD1      ILE  15  -7.192  -3.051  -0.939
  121    H    GLN  16           H        GLN  16  -5.470  -3.396  -1.455
  122    HA   GLN  16           HA       GLN  16  -3.517  -5.270  -2.453
  123   1HB   GLN  16          2HB       GLN  16  -5.754  -3.750  -3.851
  124   2HB   GLN  16          1HB       GLN  16  -4.924  -5.170  -4.499
  125   1HG   GLN  16          2HG       GLN  16  -6.002  -5.590  -1.799
  126   2HG   GLN  16          1HG       GLN  16  -7.247  -5.233  -2.997
  127   1HE2  GLN  16          1HE2      GLN  16  -7.545  -7.735  -2.205
  128   2HE2  GLN  16          2HE2      GLN  16  -6.837  -8.867  -3.254
  129    H    ASP  17           H        ASP  17  -4.256  -1.871  -2.583
  130    HA   ASP  17           HA       ASP  17  -2.266  -1.359  -4.717
  131   1HB   ASP  17          2HB       ASP  17  -4.556   0.023  -3.670
  132   2HB   ASP  17          1HB       ASP  17  -3.144   1.065  -3.489
  133    H    LEU  18           H        LEU  18  -2.693  -0.810  -1.188
  134    HA   LEU  18           HA       LEU  18  -0.357   0.691  -0.678
  135   1HB   LEU  18          2HB       LEU  18  -2.107  -0.994   0.862
  136   2HB   LEU  18          1HB       LEU  18  -0.442  -1.409   1.259
  137    HG   LEU  18           HG       LEU  18  -1.280   0.408   2.713
  138   1HD1  LEU  18          1HD1      LEU  18   1.054   0.533   0.989
  139   2HD1  LEU  18          3HD1      LEU  18   0.513   2.152   1.432
  140   3HD1  LEU  18          2HD1      LEU  18   0.903   0.977   2.689
  141   1HD2  LEU  18          3HD2      LEU  18  -2.003   1.535   0.055
  142   2HD2  LEU  18          2HD2      LEU  18  -2.826   1.697   1.606
  143   3HD2  LEU  18          1HD2      LEU  18  -1.402   2.678   1.257
  144    H    ARG  19           H        ARG  19  -0.868  -2.576  -1.652
  145    HA   ARG  19           HA       ARG  19   1.754  -3.656  -1.254
  146   1HB   ARG  19          2HB       ARG  19   0.143  -5.287  -1.690
  147   2HB   ARG  19          1HB       ARG  19  -0.702  -4.274  -2.847
  148   1HG   ARG  19          2HG       ARG  19   1.188  -4.589  -4.449
  149   2HG   ARG  19          1HG       ARG  19   1.908  -5.738  -3.315
  150   1HD   ARG  19          2HD       ARG  19  -0.540  -6.007  -5.001
  151   2HD   ARG  19          1HD       ARG  19   0.688  -7.210  -4.613
  152    HE   ARG  19           HE       ARG  19  -1.691  -6.577  -2.999
  153   1HH1  ARG  19          1HH1      ARG  19   1.359  -6.927  -1.905
  154   2HH1  ARG  19          2HH1      ARG  19   1.152  -8.470  -1.146
  155   1HH2  ARG  19          1HH2      ARG  19  -1.950  -9.056  -2.587
  156   2HH2  ARG  19          2HH2      ARG  19  -0.723  -9.678  -1.534
  157    H    ARG  20           H        ARG  20   0.151  -2.233  -4.125
  158    HA   ARG  20           HA       ARG  20   2.595  -2.233  -5.645
  159   1HB   ARG  20          2HB       ARG  20   1.276  -1.519  -7.351
  160   2HB   ARG  20          1HB       ARG  20  -0.037  -1.927  -6.249
  161   1HG   ARG  20          2HG       ARG  20  -0.684   0.222  -6.657
  162   2HG   ARG  20          1HG       ARG  20   0.521   0.617  -5.434
  163   1HD   ARG  20          2HD       ARG  20   1.586   1.831  -7.013
  164   2HD   ARG  20          1HD       ARG  20   1.981   0.302  -7.805
  165    HE   ARG  20           HE       ARG  20  -0.667   1.064  -8.541
  166   1HH1  ARG  20          1HH1      ARG  20  -0.952   1.810 -10.657
  167   2HH1  ARG  20          2HH1      ARG  20   0.376   2.554 -11.484
  168   1HH2  ARG  20          1HH2      ARG  20   2.607   2.099  -8.870
  169   2HH2  ARG  20          2HH2      ARG  20   2.389   2.720 -10.471
  170    H    ARG  21           H        ARG  21   1.055  -0.015  -3.386
  171    HA   ARG  21           HA       ARG  21   2.648   2.296  -3.892
  172   1HB   ARG  21          2HB       ARG  21   1.170   1.162  -1.570
  173   2HB   ARG  21          1HB       ARG  21   2.465   2.281  -1.161
  174   1HG   ARG  21          2HG       ARG  21   1.466   4.064  -2.303
  175   2HG   ARG  21          1HG       ARG  21   0.478   2.994  -3.300
  176   1HD   ARG  21          2HD       ARG  21   0.037   2.795  -0.375
  177   2HD   ARG  21          1HD       ARG  21  -0.484   4.303  -1.125
  178    HE   ARG  21           HE       ARG  21  -1.557   1.601  -1.754
  179   1HH1  ARG  21          1HH1      ARG  21  -3.028   4.146  -0.749
  180   2HH1  ARG  21          2HH1      ARG  21  -3.870   4.603  -2.193
  181   1HH2  ARG  21          1HH2      ARG  21  -1.976   2.563  -4.260
  182   2HH2  ARG  21          2HH2      ARG  21  -3.274   3.707  -4.180
  183    H    PHE  22           H        PHE  22   3.227  -0.799  -2.446
  184    HA   PHE  22           HA       PHE  22   5.983  -0.104  -1.698
  185   1HB   PHE  22          2HB       PHE  22   4.498  -2.689  -1.456
  186   2HB   PHE  22          1HB       PHE  22   6.077  -2.343  -0.751
  187    HD1  PHE  22          1HD       PHE  22   3.062  -2.913   0.368
  188    HD2  PHE  22          2HD       PHE  22   5.714   0.442   0.058
  189    HE1  PHE  22          1HE       PHE  22   1.896  -1.811   2.250
  190    HE2  PHE  22          2HE       PHE  22   4.556   1.538   1.940
  191    HZ   PHE  22           HZ       PHE  22   2.660   0.406   2.999
  192    H    PHE  23           H        PHE  23   4.096  -1.831  -4.073
  193    HA   PHE  23           HA       PHE  23   5.337  -3.608  -5.497
  194   1HB   PHE  23          2HB       PHE  23   3.962  -1.297  -6.377
  195   2HB   PHE  23          1HB       PHE  23   5.366  -1.474  -7.411
  196    HD1  PHE  23          1HD       PHE  23   3.441  -4.147  -5.699
  197    HD2  PHE  23          2HD       PHE  23   4.444  -2.197  -9.386
  198    HE1  PHE  23          1HE       PHE  23   2.254  -5.916  -6.963
  199    HE2  PHE  23          2HE       PHE  23   3.264  -3.963 -10.646
  200    HZ   PHE  23           HZ       PHE  23   2.178  -5.790  -9.422
  201    H    LEU  24           H        LEU  24   6.583  -0.382  -6.320
  202    HA   LEU  24           HA       LEU  24   9.153  -1.457  -7.118
  203   1HB   LEU  24          2HB       LEU  24   7.903   1.249  -6.929
  204   2HB   LEU  24          1HB       LEU  24   9.664   1.166  -6.966
  205    HG   LEU  24           HG       LEU  24   8.754   1.364  -9.248
  206   1HD1  LEU  24          2HD1      LEU  24  10.689  -0.355  -8.410
  207   2HD1  LEU  24          1HD1      LEU  24   9.600  -1.476  -9.226
  208   3HD1  LEU  24          3HD1      LEU  24  10.278  -0.106 -10.106
  209   1HD2  LEU  24          2HD2      LEU  24   6.745  -0.298  -8.251
  210   2HD2  LEU  24          1HD2      LEU  24   6.946   0.188  -9.935
  211   3HD2  LEU  24          3HD2      LEU  24   7.636  -1.333  -9.367
  212    H    HIS  25           H        HIS  25   7.938   0.305  -4.260
  213    HA   HIS  25           HA       HIS  25  10.453   0.683  -2.981
  214   1HB   HIS  25          2HB       HIS  25   7.632   0.715  -2.197
  215   2HB   HIS  25          1HB       HIS  25   8.692   0.145  -0.902
  216    HD1  HIS  25          1HD       HIS  25   9.818   1.935   0.417
  217    HD2  HIS  25          2HD       HIS  25   8.683   3.302  -3.354
  218    HE1  HIS  25          1HE       HIS  25  10.393   4.401   0.346
  219    H    HIS  26           H        HIS  26   8.319  -2.141  -3.117
  220    HA   HIS  26           HA       HIS  26   9.641  -3.742  -1.180
  221   1HB   HIS  26          2HB       HIS  26   7.422  -4.074  -2.624
  222   2HB   HIS  26          1HB       HIS  26   8.544  -5.048  -3.576
  223    HD1  HIS  26          1HD       HIS  26   8.396  -4.549   0.172
  224    HD2  HIS  26          2HD       HIS  26   8.174  -7.625  -2.628
  225    HE1  HIS  26          1HE       HIS  26   8.366  -6.695   1.483
  226    H    LEU  27           H        LEU  27   9.872  -4.028  -4.729
  227    HA   LEU  27           HA       LEU  27  12.070  -5.747  -4.854
  228   1HB   LEU  27          2HB       LEU  27  11.567  -3.405  -6.714
  229   2HB   LEU  27          1HB       LEU  27  12.484  -4.864  -7.088
  230    HG   LEU  27           HG       LEU  27   9.533  -4.774  -6.386
  231   1HD1  LEU  27          1HD1      LEU  27  10.383  -3.902  -8.689
  232   2HD1  LEU  27          3HD1      LEU  27  10.728  -5.598  -9.024
  233   3HD1  LEU  27          2HD1      LEU  27   9.077  -5.087  -8.670
  234   1HD2  LEU  27          2HD2      LEU  27  11.449  -6.880  -6.247
  235   2HD2  LEU  27          1HD2      LEU  27   9.701  -6.994  -6.043
  236   3HD2  LEU  27          3HD2      LEU  27  10.419  -7.199  -7.641
  237    H    ILE  28           H        ILE  28  12.267  -2.168  -5.070
  238    HA   ILE  28           HA       ILE  28  15.137  -2.186  -4.652
  239    HB   ILE  28           HB       ILE  28  13.120   0.074  -4.432
  240   1HG1  ILE  28          2HG1      ILE  28  13.127  -0.790  -6.671
  241   2HG1  ILE  28          1HG1      ILE  28  14.140   0.653  -6.693
  242   1HG2  ILE  28          2HG2      ILE  28  15.406   0.318  -3.256
  243   2HG2  ILE  28          1HG2      ILE  28  16.096   0.320  -4.879
  244   3HG2  ILE  28          3HG2      ILE  28  14.953   1.576  -4.406
  245   1HD1  ILE  28          1HD1      ILE  28  16.051  -1.108  -6.122
  246   2HD1  ILE  28          3HD1      ILE  28  14.932  -2.222  -6.909
  247   3HD1  ILE  28          2HD1      ILE  28  15.546  -0.821  -7.787
  248    H    ALA  29           H        ALA  29  13.055  -0.195  -2.604
  249    HA   ALA  29           HA       ALA  29  14.587  -0.513  -0.281
  250   1HB   ALA  29          3HB       ALA  29  12.184   0.781  -0.979
  251   2HB   ALA  29          2HB       ALA  29  11.785  -0.255   0.392
  252   3HB   ALA  29          1HB       ALA  29  13.073   0.941   0.535
  253    H    GLU  30           H        GLU  30  13.828  -1.685   1.768
  254    HA   GLU  30           HA       GLU  30  13.661  -3.844   2.723
  255   1HB   GLU  30          2HB       GLU  30  11.247  -4.782   1.908
  256   2HB   GLU  30          1HB       GLU  30  11.441  -3.556   3.161
  257   1HG   GLU  30          2HG       GLU  30  11.270  -1.796   1.377
  258   2HG   GLU  30          1HG       GLU  30  10.899  -3.075   0.214
  259    H    ILE  31           H        ILE  31  15.415  -4.628   1.260
  260    HA   ILE  31           HA       ILE  31  14.358  -6.492  -0.813
  261    HB   ILE  31           HB       ILE  31  15.928  -5.077  -1.840
  262   1HG1  ILE  31          2HG1      ILE  31  17.984  -7.074  -1.152
  263   2HG1  ILE  31          1HG1      ILE  31  16.440  -7.762  -1.656
  264   1HG2  ILE  31          1HG2      ILE  31  17.212  -5.173   0.823
  265   2HG2  ILE  31          3HG2      ILE  31  18.323  -5.081  -0.546
  266   3HG2  ILE  31          2HG2      ILE  31  17.094  -3.835  -0.321
  267   1HD1  ILE  31          2HD1      ILE  31  17.400  -5.489  -3.291
  268   2HD1  ILE  31          1HD1      ILE  31  18.369  -6.959  -3.401
  269   3HD1  ILE  31          3HD1      ILE  31  16.650  -7.003  -3.797
  270    H    HIS  32           H        HIS  32  14.295  -8.542  -0.241
  271    HA   HIS  32           HA       HIS  32  16.380 -10.044   0.882
  272   1HB   HIS  32          2HB       HIS  32  15.183  -8.426   2.841
  273   2HB   HIS  32          1HB       HIS  32  14.512 -10.040   3.104
  274    HD1  HIS  32          1HD       HIS  32  15.892 -11.168   4.845
  275    HD2  HIS  32          2HD       HIS  32  18.259  -8.994   2.189
  276    HE1  HIS  32          1HE       HIS  32  18.299 -11.602   5.508
  277    H    THR  33           H        THR  33  15.838 -12.248   0.898
  278    HA   THR  33           HA       THR  33  13.246 -12.899  -0.319
  279    HB   THR  33           HB       THR  33  14.925 -15.149   0.535
  280    HG1  THR  33          1HG       THR  33  16.742 -14.529  -0.324
  281   1HG2  THR  33          3HG2      THR  33  13.234 -14.309  -1.659
  282   2HG2  THR  33          2HG2      THR  33  14.760 -14.954  -2.264
  283   3HG2  THR  33          1HG2      THR  33  13.744 -15.936  -1.209
  284    H    ALA  34           H        ALA  34  11.489 -13.267   0.933
  285    HA   ALA  34           HA       ALA  34  11.754 -13.769   3.797
  286   1HB   ALA  34          2HB       ALA  34   9.856 -12.502   2.460
  287   2HB   ALA  34          1HB       ALA  34   9.170 -14.118   2.311
  288   3HB   ALA  34          3HB       ALA  34   9.452 -13.425   3.907
   
  No H/Q in entry =         288
  Start of MODEL   27
    1   1H    ALA   1          1HT       ALA   1 -20.102  -6.802  11.851
    2   2H    ALA   1          3HT       ALA   1 -19.542  -5.927  10.511
    3   3H    ALA   1          2HT       ALA   1 -21.099  -6.607  10.489
    4    HA   ALA   1           HA       ALA   1 -20.326  -8.755  10.228
    5   1HB   ALA   1          1HB       ALA   1 -19.925  -7.270   8.238
    6   2HB   ALA   1          3HB       ALA   1 -18.267  -7.048   8.799
    7   3HB   ALA   1          2HB       ALA   1 -18.829  -8.650   8.322
    8    H    VAL   2           H        VAL   2 -18.170 -10.114   9.982
    9    HA   VAL   2           HA       VAL   2 -16.997 -10.524  12.440
   10    HB   VAL   2           HB       VAL   2 -16.666 -11.941  10.382
   11   1HG1  VAL   2          2HG1      VAL   2 -15.726  -9.610   9.274
   12   2HG1  VAL   2          1HG1      VAL   2 -14.225 -10.458   9.648
   13   3HG1  VAL   2          3HG1      VAL   2 -15.435 -11.219   8.612
   14   1HG2  VAL   2          2HG2      VAL   2 -15.190 -11.847  12.601
   15   2HG2  VAL   2          1HG2      VAL   2 -14.738 -12.889  11.252
   16   3HG2  VAL   2          3HG2      VAL   2 -13.945 -11.328  11.466
   17    H    SER   3           H        SER   3 -14.831  -9.952  13.281
   18    HA   SER   3           HA       SER   3 -13.506  -8.181  14.110
   19   1HB   SER   3          2HB       SER   3 -11.767  -7.747  12.610
   20   2HB   SER   3          1HB       SER   3 -12.444  -9.254  11.988
   21    HG   SER   3           HG       SER   3 -13.386  -8.170  10.364
   22    H    GLU   4           H        GLU   4 -14.963  -6.595  14.842
   23    HA   GLU   4           HA       GLU   4 -16.605  -4.869  13.454
   24   1HB   GLU   4          2HB       GLU   4 -16.406  -4.775  15.886
   25   2HB   GLU   4          1HB       GLU   4 -14.769  -4.141  15.756
   26   1HG   GLU   4          2HG       GLU   4 -15.491  -2.063  14.980
   27   2HG   GLU   4          1HG       GLU   4 -17.023  -2.706  14.385
   28    H    HIS   5           H        HIS   5 -13.088  -4.526  13.859
   29    HA   HIS   5           HA       HIS   5 -12.660  -2.035  12.765
   30   1HB   HIS   5          2HB       HIS   5 -11.102  -4.372  13.155
   31   2HB   HIS   5          1HB       HIS   5 -10.755  -3.734  11.548
   32    HD1  HIS   5          1HD       HIS   5 -10.480  -0.915  11.642
   33    HD2  HIS   5          2HD       HIS   5  -9.575  -3.126  15.056
   34    HE1  HIS   5          1HE       HIS   5  -9.030   0.572  13.091
   35    H    GLN   6           H        GLN   6 -13.895  -4.827  11.100
   36    HA   GLN   6           HA       GLN   6 -13.264  -4.227   8.451
   37   1HB   GLN   6          2HB       GLN   6 -15.393  -5.651   9.820
   38   2HB   GLN   6          1HB       GLN   6 -15.943  -4.913   8.317
   39   1HG   GLN   6          2HG       GLN   6 -13.432  -6.594   8.525
   40   2HG   GLN   6          1HG       GLN   6 -15.003  -7.260   8.074
   41   1HE2  GLN   6          2HE2      GLN   6 -13.752  -6.508   4.779
   42   2HE2  GLN   6          1HE2      GLN   6 -13.821  -7.747   5.949
   43    H    LEU   7           H        LEU   7 -15.069  -3.171   6.880
   44    HA   LEU   7           HA       LEU   7 -16.261  -1.196   6.341
   45   1HB   LEU   7          2HB       LEU   7 -17.000  -1.762   9.054
   46   2HB   LEU   7          1HB       LEU   7 -16.656  -0.035   8.937
   47    HG   LEU   7           HG       LEU   7 -18.202  -1.053   6.662
   48   1HD1  LEU   7          1HD1      LEU   7 -18.989  -1.760   9.399
   49   2HD1  LEU   7          3HD1      LEU   7 -20.224  -0.838   8.540
   50   3HD1  LEU   7          2HD1      LEU   7 -19.620  -2.350   7.862
   51   1HD2  LEU   7          3HD2      LEU   7 -17.690   1.368   7.564
   52   2HD2  LEU   7          2HD2      LEU   7 -19.276   1.016   6.879
   53   3HD2  LEU   7          1HD2      LEU   7 -19.059   1.055   8.629
   54    H    LEU   8           H        LEU   8 -14.546  -0.383   9.417
   55    HA   LEU   8           HA       LEU   8 -13.351   1.924   8.283
   56   1HB   LEU   8          2HB       LEU   8 -13.526   1.935  10.624
   57   2HB   LEU   8          1HB       LEU   8 -12.954   0.279  10.736
   58    HG   LEU   8           HG       LEU   8 -10.722   0.882  10.284
   59   1HD1  LEU   8          3HD1      LEU   8 -12.027   3.056   8.879
   60   2HD1  LEU   8          2HD1      LEU   8 -10.685   3.653   9.859
   61   3HD1  LEU   8          1HD1      LEU   8 -10.408   2.400   8.648
   62   1HD2  LEU   8          3HD2      LEU   8 -11.656   1.612  12.543
   63   2HD2  LEU   8          2HD2      LEU   8 -10.194   2.449  12.027
   64   3HD2  LEU   8          1HD2      LEU   8 -11.762   3.239  11.874
   65    H    HIS   9           H        HIS   9 -12.468  -1.417   8.833
   66    HA   HIS   9           HA       HIS   9  -9.900  -1.115   7.495
   67   1HB   HIS   9          2HB       HIS   9  -9.909  -2.484   9.442
   68   2HB   HIS   9          1HB       HIS   9 -11.262  -3.453   8.858
   69    HD1  HIS   9          1HD       HIS   9 -10.045  -5.704   8.511
   70    HD2  HIS   9          2HD       HIS   9  -8.151  -2.446   6.822
   71    HE1  HIS   9          1HE       HIS   9  -8.143  -6.654   7.122
   72    H    ASP  10           H        ASP  10 -12.251  -0.627   5.928
   73    HA   ASP  10           HA       ASP  10 -13.451  -2.506   4.395
   74   1HB   ASP  10          2HB       ASP  10 -13.555  -0.104   3.894
   75   2HB   ASP  10          1HB       ASP  10 -11.889  -0.156   3.300
   76    H    LYS  11           H        LYS  11 -12.313  -4.503   4.230
   77    HA   LYS  11           HA       LYS  11  -9.643  -4.718   3.250
   78   1HB   LYS  11          2HB       LYS  11 -10.763  -6.521   4.535
   79   2HB   LYS  11          1HB       LYS  11 -11.861  -6.784   3.174
   80   1HG   LYS  11          2HG       LYS  11  -9.851  -8.350   3.278
   81   2HG   LYS  11          1HG       LYS  11 -10.068  -7.493   1.751
   82   1HD   LYS  11          2HD       LYS  11  -8.300  -6.011   2.184
   83   2HD   LYS  11          1HD       LYS  11  -8.343  -6.319   3.920
   84   1HE   LYS  11          2HE       LYS  11  -6.472  -7.420   2.390
   85   2HE   LYS  11          1HE       LYS  11  -7.177  -8.312   3.738
   86   1HZ   LYS  11          1HZ       LYS  11  -8.521  -8.460   1.145
   87   2HZ   LYS  11          3HZ       LYS  11  -7.070  -9.318   1.325
   88   3HZ   LYS  11          2HZ       LYS  11  -8.378  -9.637   2.361
   89    H    GLY  12           H        GLY  12  -9.303  -3.698   1.274
   90   1HA   GLY  12          2HA       GLY  12  -9.607  -4.845  -1.153
   91   2HA   GLY  12          1HA       GLY  12 -11.206  -4.132  -0.938
   92    H    LYS  13           H        LYS  13 -10.127  -1.837   0.588
   93    HA   LYS  13           HA       LYS  13  -9.726  -0.012  -1.520
   94   1HB   LYS  13          2HB       LYS  13  -8.750   0.385   1.266
   95   2HB   LYS  13          1HB       LYS  13  -9.255   1.630   0.129
   96   1HG   LYS  13          2HG       LYS  13 -10.986  -0.413   1.535
   97   2HG   LYS  13          1HG       LYS  13 -11.094   1.347   1.630
   98   1HD   LYS  13          2HD       LYS  13 -11.372   1.022  -1.041
   99   2HD   LYS  13          1HD       LYS  13 -12.071  -0.500  -0.486
  100   1HE   LYS  13          2HE       LYS  13 -13.184   1.332   1.254
  101   2HE   LYS  13          1HE       LYS  13 -13.124   2.234  -0.261
  102   1HZ   LYS  13          2HZ       LYS  13 -13.968  -0.385  -0.800
  103   2HZ   LYS  13          1HZ       LYS  13 -14.913   0.223   0.474
  104   3HZ   LYS  13          3HZ       LYS  13 -14.834   1.064  -0.997
  105    H    SER  14           H        SER  14  -7.508   1.482  -0.580
  106    HA   SER  14           HA       SER  14  -5.554   0.209  -2.200
  107   1HB   SER  14          2HB       SER  14  -4.860   2.414  -0.304
  108   2HB   SER  14          1HB       SER  14  -4.227   2.075  -1.917
  109    HG   SER  14           HG       SER  14  -6.660   3.242  -1.138
  110    H    ILE  15           H        ILE  15  -5.892  -1.720  -0.807
  111    HA   ILE  15           HA       ILE  15  -3.706  -1.882   1.195
  112    HB   ILE  15           HB       ILE  15  -5.168  -4.176   1.487
  113   1HG1  ILE  15          2HG1      ILE  15  -7.546  -3.143   1.804
  114   2HG1  ILE  15          1HG1      ILE  15  -7.016  -1.976   0.619
  115   1HG2  ILE  15          3HG2      ILE  15  -4.325  -2.275   3.129
  116   2HG2  ILE  15          2HG2      ILE  15  -6.016  -1.781   3.062
  117   3HG2  ILE  15          1HG2      ILE  15  -5.591  -3.396   3.631
  118   1HD1  ILE  15          3HD1      ILE  15  -6.251  -4.609  -0.235
  119   2HD1  ILE  15          2HD1      ILE  15  -7.975  -4.596   0.139
  120   3HD1  ILE  15          1HD1      ILE  15  -7.316  -3.462  -1.040
  121    H    GLN  16           H        GLN  16  -5.479  -3.265  -1.465
  122    HA   GLN  16           HA       GLN  16  -3.484  -5.264  -2.176
  123   1HB   GLN  16          2HB       GLN  16  -5.840  -4.009  -3.639
  124   2HB   GLN  16          1HB       GLN  16  -4.848  -5.307  -4.313
  125   1HG   GLN  16          2HG       GLN  16  -5.687  -6.025  -1.648
  126   2HG   GLN  16          1HG       GLN  16  -7.096  -5.574  -2.608
  127   1HE2  GLN  16          2HE2      GLN  16  -5.637  -9.191  -3.182
  128   2HE2  GLN  16          1HE2      GLN  16  -5.478  -8.271  -1.764
  129    H    ASP  17           H        ASP  17  -4.287  -1.914  -2.599
  130    HA   ASP  17           HA       ASP  17  -2.297  -1.534  -4.764
  131   1HB   ASP  17          2HB       ASP  17  -4.639  -0.155  -3.937
  132   2HB   ASP  17          1HB       ASP  17  -3.285   0.932  -3.628
  133    H    LEU  18           H        LEU  18  -2.775  -0.815  -1.283
  134    HA   LEU  18           HA       LEU  18  -0.493   0.791  -0.838
  135   1HB   LEU  18          2HB       LEU  18  -2.227  -0.879   0.757
  136   2HB   LEU  18          1HB       LEU  18  -0.555  -1.163   1.236
  137    HG   LEU  18           HG       LEU  18  -1.772   0.742   2.441
  138   1HD1  LEU  18          2HD1      LEU  18   0.705   0.442   2.360
  139   2HD1  LEU  18          1HD1      LEU  18   0.750   1.456   0.919
  140   3HD1  LEU  18          3HD1      LEU  18   0.223   2.135   2.460
  141   1HD2  LEU  18          1HD2      LEU  18  -2.300   1.505  -0.223
  142   2HD2  LEU  18          3HD2      LEU  18  -2.652   2.434   1.235
  143   3HD2  LEU  18          2HD2      LEU  18  -1.129   2.678   0.380
  144    H    ARG  19           H        ARG  19  -0.892  -2.532  -1.671
  145    HA   ARG  19           HA       ARG  19   1.735  -3.542  -1.138
  146   1HB   ARG  19          2HB       ARG  19   0.178  -5.222  -1.568
  147   2HB   ARG  19          1HB       ARG  19  -0.648  -4.270  -2.790
  148   1HG   ARG  19          2HG       ARG  19   1.300  -4.602  -4.315
  149   2HG   ARG  19          1HG       ARG  19   2.005  -5.692  -3.117
  150   1HD   ARG  19          2HD       ARG  19  -0.387  -6.076  -4.867
  151   2HD   ARG  19          1HD       ARG  19   0.863  -7.234  -4.412
  152    HE   ARG  19           HE       ARG  19  -1.581  -6.637  -2.891
  153   1HH1  ARG  19          1HH1      ARG  19  -0.492  -6.707  -0.523
  154   2HH1  ARG  19          2HH1      ARG  19   0.168  -8.279  -0.216
  155   1HH2  ARG  19          1HH2      ARG  19   0.168  -9.220  -3.553
  156   2HH2  ARG  19          2HH2      ARG  19   0.541  -9.703  -1.931
  157    H    ARG  20           H        ARG  20   0.271  -2.574  -4.270
  158    HA   ARG  20           HA       ARG  20   2.768  -2.447  -5.607
  159   1HB   ARG  20          2HB       ARG  20   1.082  -2.432  -7.148
  160   2HB   ARG  20          1HB       ARG  20   0.024  -1.505  -6.098
  161   1HG   ARG  20          2HG       ARG  20   0.784   0.520  -6.888
  162   2HG   ARG  20          1HG       ARG  20   2.419  -0.091  -7.155
  163   1HD   ARG  20          2HD       ARG  20   1.886  -0.218  -9.345
  164   2HD   ARG  20          1HD       ARG  20   0.850  -1.578  -8.911
  165    HE   ARG  20           HE       ARG  20  -0.961   0.231  -8.558
  166   1HH1  ARG  20          1HH1      ARG  20  -0.238  -0.539 -11.452
  167   2HH1  ARG  20          2HH1      ARG  20  -0.176   1.027 -12.191
  168   1HH2  ARG  20          1HH2      ARG  20  -0.031   2.735  -9.178
  169   2HH2  ARG  20          2HH2      ARG  20  -0.054   2.879 -10.903
  170    H    ARG  21           H        ARG  21   1.099  -0.208  -3.471
  171    HA   ARG  21           HA       ARG  21   2.622   2.144  -4.073
  172   1HB   ARG  21          2HB       ARG  21   1.073   1.110  -1.755
  173   2HB   ARG  21          1HB       ARG  21   2.343   2.260  -1.344
  174   1HG   ARG  21          2HG       ARG  21   0.379   3.559  -1.759
  175   2HG   ARG  21          1HG       ARG  21   1.413   3.759  -3.177
  176   1HD   ARG  21          2HD       ARG  21  -0.483   3.189  -4.312
  177   2HD   ARG  21          1HD       ARG  21   0.018   1.546  -3.904
  178    HE   ARG  21           HE       ARG  21  -1.644   1.515  -2.143
  179   1HH1  ARG  21          1HH1      ARG  21  -3.252   2.611  -4.438
  180   2HH1  ARG  21          2HH1      ARG  21  -4.013   3.989  -3.718
  181   1HH2  ARG  21          1HH2      ARG  21  -1.866   4.090  -0.999
  182   2HH2  ARG  21          2HH2      ARG  21  -3.228   4.827  -1.772
  183    H    PHE  22           H        PHE  22   3.221  -0.837  -2.405
  184    HA   PHE  22           HA       PHE  22   5.941  -0.033  -1.626
  185   1HB   PHE  22          2HB       PHE  22   4.512  -2.640  -1.286
  186   2HB   PHE  22          1HB       PHE  22   6.060  -2.214  -0.555
  187    HD1  PHE  22          1HD       PHE  22   5.664   0.558   0.145
  188    HD2  PHE  22          2HD       PHE  22   2.969  -2.763   0.444
  189    HE1  PHE  22          1HE       PHE  22   4.422   1.730   1.928
  190    HE2  PHE  22          2HE       PHE  22   1.729  -1.593   2.233
  191    HZ   PHE  22           HZ       PHE  22   2.471   0.646   2.938
  192    H    PHE  23           H        PHE  23   4.149  -1.807  -4.008
  193    HA   PHE  23           HA       PHE  23   5.455  -3.663  -5.288
  194   1HB   PHE  23          2HB       PHE  23   4.020  -1.489  -6.364
  195   2HB   PHE  23          1HB       PHE  23   5.479  -1.631  -7.320
  196    HD1  PHE  23          1HD       PHE  23   3.659  -4.332  -5.546
  197    HD2  PHE  23          2HD       PHE  23   4.696  -2.531  -9.299
  198    HE1  PHE  23          1HE       PHE  23   2.682  -6.265  -6.747
  199    HE2  PHE  23          2HE       PHE  23   3.724  -4.461 -10.499
  200    HZ   PHE  23           HZ       PHE  23   2.726  -6.299  -9.209
  201    H    LEU  24           H        LEU  24   6.595  -0.403  -6.146
  202    HA   LEU  24           HA       LEU  24   9.210  -1.316  -6.950
  203   1HB   LEU  24          2HB       LEU  24   8.459   1.508  -6.147
  204   2HB   LEU  24          1HB       LEU  24   9.735   1.009  -7.258
  205    HG   LEU  24           HG       LEU  24   7.108  -0.024  -8.031
  206   1HD1  LEU  24          1HD1      LEU  24   6.920   2.462  -6.927
  207   2HD1  LEU  24          3HD1      LEU  24   7.316   2.874  -8.597
  208   3HD1  LEU  24          2HD1      LEU  24   5.892   1.895  -8.244
  209   1HD2  LEU  24          1HD2      LEU  24   9.398   0.232  -9.300
  210   2HD2  LEU  24          3HD2      LEU  24   7.888   0.489 -10.174
  211   3HD2  LEU  24          2HD2      LEU  24   8.825   1.872  -9.611
  212    H    HIS  25           H        HIS  25   7.959   0.333  -4.025
  213    HA   HIS  25           HA       HIS  25  10.361   0.690  -2.627
  214   1HB   HIS  25          2HB       HIS  25   7.850   1.093  -1.900
  215   2HB   HIS  25          1HB       HIS  25   8.026  -0.505  -1.166
  216    HD1  HIS  25          1HD       HIS  25   8.101   0.367   1.268
  217    HD2  HIS  25          2HD       HIS  25  11.049   2.016  -1.175
  218    HE1  HIS  25          1HE       HIS  25   9.727   1.554   2.804
  219    H    HIS  26           H        HIS  26   8.394  -2.270  -2.873
  220    HA   HIS  26           HA       HIS  26  10.074  -3.928  -1.289
  221   1HB   HIS  26          2HB       HIS  26   7.684  -4.333  -2.276
  222   2HB   HIS  26          1HB       HIS  26   8.605  -5.015  -3.618
  223    HD1  HIS  26          1HD       HIS  26   9.528  -5.150   0.030
  224    HD2  HIS  26          2HD       HIS  26   8.441  -7.740  -3.044
  225    HE1  HIS  26          1HE       HIS  26   9.877  -7.476   0.915
  226    H    LEU  27           H        LEU  27   9.770  -3.895  -4.844
  227    HA   LEU  27           HA       LEU  27  11.911  -5.484  -5.547
  228   1HB   LEU  27          2HB       LEU  27  11.191  -2.840  -6.844
  229   2HB   LEU  27          1HB       LEU  27  12.122  -4.134  -7.598
  230    HG   LEU  27           HG       LEU  27   9.306  -4.499  -6.544
  231   1HD1  LEU  27          2HD1      LEU  27  10.341  -3.733  -9.274
  232   2HD1  LEU  27          1HD1      LEU  27   8.791  -4.549  -9.072
  233   3HD1  LEU  27          3HD1      LEU  27   9.058  -2.968  -8.338
  234   1HD2  LEU  27          3HD2      LEU  27  10.695  -6.543  -6.728
  235   2HD2  LEU  27          2HD2      LEU  27   9.391  -6.546  -7.915
  236   3HD2  LEU  27          1HD2      LEU  27  11.035  -6.151  -8.414
  237    H    ILE  28           H        ILE  28  12.060  -2.098  -4.482
  238    HA   ILE  28           HA       ILE  28  14.992  -2.059  -4.752
  239    HB   ILE  28           HB       ILE  28  13.225   0.001  -3.401
  240   1HG1  ILE  28          2HG1      ILE  28  12.401  -0.434  -5.686
  241   2HG1  ILE  28          1HG1      ILE  28  13.180   1.146  -5.592
  242   1HG2  ILE  28          2HG2      ILE  28  15.956  -0.211  -3.498
  243   2HG2  ILE  28          1HG2      ILE  28  15.631   0.769  -4.927
  244   3HG2  ILE  28          3HG2      ILE  28  15.083   1.314  -3.342
  245   1HD1  ILE  28          3HD1      ILE  28  15.214  -0.746  -6.194
  246   2HD1  ILE  28          2HD1      ILE  28  13.860  -1.080  -7.274
  247   3HD1  ILE  28          1HD1      ILE  28  14.582   0.527  -7.237
  248    H    ALA  29           H        ALA  29  12.990  -1.119  -1.947
  249    HA   ALA  29           HA       ALA  29  15.020  -2.002  -0.110
  250   1HB   ALA  29          1HB       ALA  29  13.362  -0.120   0.296
  251   2HB   ALA  29          3HB       ALA  29  12.137  -1.365   0.542
  252   3HB   ALA  29          2HB       ALA  29  13.527  -1.270   1.623
  253    H    GLU  30           H        GLU  30  15.331  -4.113   0.452
  254    HA   GLU  30           HA       GLU  30  13.222  -5.837   1.307
  255   1HB   GLU  30          2HB       GLU  30  13.534  -7.499  -0.674
  256   2HB   GLU  30          1HB       GLU  30  12.461  -6.114  -0.904
  257   1HG   GLU  30          2HG       GLU  30  14.301  -4.864  -1.974
  258   2HG   GLU  30          1HG       GLU  30  15.372  -6.252  -1.752
  259    H    ILE  31           H        ILE  31  15.195  -5.668   2.807
  260    HA   ILE  31           HA       ILE  31  17.209  -7.741   2.038
  261    HB   ILE  31           HB       ILE  31  17.696  -5.811   4.269
  262   1HG1  ILE  31          2HG1      ILE  31  18.872  -4.527   2.180
  263   2HG1  ILE  31          1HG1      ILE  31  17.415  -5.137   1.393
  264   1HG2  ILE  31          3HG2      ILE  31  19.140  -7.848   3.226
  265   2HG2  ILE  31          2HG2      ILE  31  19.725  -6.522   2.222
  266   3HG2  ILE  31          1HG2      ILE  31  19.879  -6.434   3.976
  267   1HD1  ILE  31          2HD1      ILE  31  16.371  -4.205   3.731
  268   2HD1  ILE  31          1HD1      ILE  31  17.699  -3.070   3.489
  269   3HD1  ILE  31          3HD1      ILE  31  16.458  -3.254   2.249
  270    H    HIS  32           H        HIS  32  16.851  -9.611   3.088
  271    HA   HIS  32           HA       HIS  32  15.000 -10.049   5.137
  272   1HB   HIS  32          2HB       HIS  32  16.976 -11.579   3.758
  273   2HB   HIS  32          1HB       HIS  32  17.145 -11.902   5.487
  274    HD1  HIS  32          1HD       HIS  32  14.340 -11.701   2.898
  275    HD2  HIS  32          2HD       HIS  32  15.287 -13.716   6.421
  276    HE1  HIS  32          1HE       HIS  32  12.473 -13.362   3.296
  277    H    THR  33           H        THR  33  15.297  -8.349   6.709
  278    HA   THR  33           HA       THR  33  17.799  -8.518   8.316
  279    HB   THR  33           HB       THR  33  15.573  -6.453   8.348
  280    HG1  THR  33          1HG       THR  33  16.935  -6.476   6.482
  281   1HG2  THR  33          3HG2      THR  33  17.879  -6.992  10.100
  282   2HG2  THR  33          2HG2      THR  33  17.775  -5.327   9.530
  283   3HG2  THR  33          1HG2      THR  33  16.425  -6.043  10.411
  284    H    ALA  34           H        ALA  34  16.265 -10.714   8.703
  285    HA   ALA  34           HA       ALA  34  15.292 -10.303  11.472
  286   1HB   ALA  34          1HB       ALA  34  13.627 -11.196   9.150
  287   2HB   ALA  34          3HB       ALA  34  13.347 -11.957  10.716
  288   3HB   ALA  34          2HB       ALA  34  13.172 -10.210  10.540
   
  No H/Q in entry =         288
  Start of MODEL   28
    1   1H    ALA   1          2HT       ALA   1  -8.741 -13.189   7.895
    2   2H    ALA   1          1HT       ALA   1  -7.712 -14.097   8.896
    3   3H    ALA   1          3HT       ALA   1  -8.188 -14.714   7.389
    4    HA   ALA   1           HA       ALA   1  -9.699 -15.838   8.590
    5   1HB   ALA   1          3HB       ALA   1  -8.722 -14.032  10.613
    6   2HB   ALA   1          2HB       ALA   1 -10.477 -14.156  10.734
    7   3HB   ALA   1          1HB       ALA   1  -9.482 -15.610  10.819
    8    H    VAL   2           H        VAL   2 -11.537 -15.754   7.391
    9    HA   VAL   2           HA       VAL   2 -12.786 -13.590   6.242
   10    HB   VAL   2           HB       VAL   2 -13.591 -15.782   5.721
   11   1HG1  VAL   2          2HG1      VAL   2 -13.372 -16.156   8.525
   12   2HG1  VAL   2          1HG1      VAL   2 -15.059 -16.452   8.104
   13   3HG1  VAL   2          3HG1      VAL   2 -13.777 -17.366   7.307
   14   1HG2  VAL   2          2HG2      VAL   2 -15.263 -13.743   6.011
   15   2HG2  VAL   2          1HG2      VAL   2 -15.879 -15.357   5.655
   16   3HG2  VAL   2          3HG2      VAL   2 -15.915 -14.743   7.309
   17    H    SER   3           H        SER   3 -14.237 -11.999   6.888
   18    HA   SER   3           HA       SER   3 -15.192 -12.033   9.699
   19   1HB   SER   3          2HB       SER   3 -13.476 -10.609  10.214
   20   2HB   SER   3          1HB       SER   3 -13.219 -10.152   8.530
   21    HG   SER   3           HG       SER   3 -14.116  -8.477   9.911
   22    H    GLU   4           H        GLU   4 -16.767 -10.089   9.995
   23    HA   GLU   4           HA       GLU   4 -18.730 -10.233   7.866
   24   1HB   GLU   4          2HB       GLU   4 -19.110  -9.911  10.413
   25   2HB   GLU   4          1HB       GLU   4 -18.760  -8.213  10.102
   26   1HG   GLU   4          2HG       GLU   4 -20.841  -7.899   9.305
   27   2HG   GLU   4          1HG       GLU   4 -20.594  -9.169   8.106
   28    H    HIS   5           H        HIS   5 -16.501  -7.732   9.055
   29    HA   HIS   5           HA       HIS   5 -17.312  -5.591   7.465
   30   1HB   HIS   5          2HB       HIS   5 -14.914  -6.353   8.890
   31   2HB   HIS   5          1HB       HIS   5 -14.557  -5.393   7.454
   32    HD1  HIS   5          1HD       HIS   5 -15.910  -3.051   7.289
   33    HD2  HIS   5          2HD       HIS   5 -15.917  -4.913  11.015
   34    HE1  HIS   5          1HE       HIS   5 -16.643  -1.297   8.962
   35    H    GLN   6           H        GLN   6 -15.876  -8.561   6.460
   36    HA   GLN   6           HA       GLN   6 -14.525  -7.880   4.133
   37   1HB   GLN   6          2HB       GLN   6 -15.903 -10.203   5.122
   38   2HB   GLN   6          1HB       GLN   6 -16.159 -10.030   3.386
   39   1HG   GLN   6          2HG       GLN   6 -13.438  -9.432   3.848
   40   2HG   GLN   6          1HG       GLN   6 -13.787 -10.885   4.785
   41   1HE2  GLN   6          2HE2      GLN   6 -13.249 -12.658   1.755
   42   2HE2  GLN   6          1HE2      GLN   6 -12.666 -12.332   3.324
   43    H    LEU   7           H        LEU   7 -15.529  -8.074   1.799
   44    HA   LEU   7           HA       LEU   7 -17.080  -7.222   0.235
   45   1HB   LEU   7          2HB       LEU   7 -18.713  -8.072   2.489
   46   2HB   LEU   7          1HB       LEU   7 -19.365  -6.597   1.773
   47    HG   LEU   7           HG       LEU   7 -18.553  -8.332  -0.349
   48   1HD1  LEU   7          2HD1      LEU   7 -19.744  -9.679   1.986
   49   2HD1  LEU   7          1HD1      LEU   7 -20.593  -9.978   0.470
   50   3HD1  LEU   7          3HD1      LEU   7 -18.878 -10.366   0.611
   51   1HD2  LEU   7          1HD2      LEU   7 -21.007  -6.995   0.676
   52   2HD2  LEU   7          3HD2      LEU   7 -20.279  -6.929  -0.929
   53   3HD2  LEU   7          2HD2      LEU   7 -21.251  -8.325  -0.458
   54    H    LEU   8           H        LEU   8 -17.930  -5.590   3.342
   55    HA   LEU   8           HA       LEU   8 -17.835  -3.011   2.186
   56   1HB   LEU   8          2HB       LEU   8 -19.055  -3.166   4.180
   57   2HB   LEU   8          1HB       LEU   8 -17.810  -4.143   4.941
   58    HG   LEU   8           HG       LEU   8 -16.356  -2.290   5.212
   59   1HD1  LEU   8          1HD1      LEU   8 -17.833  -1.327   2.937
   60   2HD1  LEU   8          3HD1      LEU   8 -17.796  -0.082   4.185
   61   3HD1  LEU   8          2HD1      LEU   8 -16.288  -0.757   3.565
   62   1HD2  LEU   8          1HD2      LEU   8 -19.082  -2.183   6.154
   63   2HD2  LEU   8          3HD2      LEU   8 -17.612  -1.662   6.979
   64   3HD2  LEU   8          2HD2      LEU   8 -18.471  -0.544   5.918
   65    H    HIS   9           H        HIS   9 -15.630  -5.219   3.689
   66    HA   HIS   9           HA       HIS   9 -13.391  -3.363   3.639
   67   1HB   HIS   9          2HB       HIS   9 -13.548  -4.764   5.556
   68   2HB   HIS   9          1HB       HIS   9 -13.703  -6.224   4.580
   69    HD1  HIS   9          1HD       HIS   9 -11.484  -7.414   5.056
   70    HD2  HIS   9          2HD       HIS   9 -11.091  -3.389   4.210
   71    HE1  HIS   9          1HE       HIS   9  -8.987  -6.980   4.901
   72    H    ASP  10           H        ASP  10 -14.597  -4.095   1.116
   73    HA   ASP  10           HA       ASP  10 -13.765  -5.996  -0.550
   74   1HB   ASP  10          2HB       ASP  10 -14.695  -3.939  -1.421
   75   2HB   ASP  10          1HB       ASP  10 -13.238  -3.046  -0.961
   76    H    LYS  11           H        LYS  11 -11.918  -7.149  -0.887
   77    HA   LYS  11           HA       LYS  11  -9.411  -6.252   0.249
   78   1HB   LYS  11          2HB       LYS  11 -10.556  -8.741  -0.580
   79   2HB   LYS  11          1HB       LYS  11  -8.999  -8.532  -1.389
   80   1HG   LYS  11          2HG       LYS  11  -9.324  -8.023   1.570
   81   2HG   LYS  11          1HG       LYS  11  -8.962  -9.630   0.942
   82   1HD   LYS  11          2HD       LYS  11  -7.298  -7.381  -0.079
   83   2HD   LYS  11          1HD       LYS  11  -7.026  -7.882   1.591
   84   1HE   LYS  11          2HE       LYS  11  -7.242 -10.034  -0.463
   85   2HE   LYS  11          1HE       LYS  11  -5.767  -9.067  -0.455
   86   1HZ   LYS  11          2HZ       LYS  11  -6.707  -9.976   2.138
   87   2HZ   LYS  11          1HZ       LYS  11  -6.136 -11.192   1.097
   88   3HZ   LYS  11          3HZ       LYS  11  -5.126  -9.896   1.519
   89    H    GLY  12           H        GLY  12 -10.778  -5.065  -2.346
   90   1HA   GLY  12          2HA       GLY  12  -8.359  -5.274  -4.084
   91   2HA   GLY  12          1HA       GLY  12  -9.966  -4.833  -4.665
   92    H    LYS  13           H        LYS  13 -10.120  -3.209  -2.005
   93    HA   LYS  13           HA       LYS  13  -9.630  -0.669  -3.081
   94   1HB   LYS  13          2HB       LYS  13  -9.495  -1.357  -0.182
   95   2HB   LYS  13          1HB       LYS  13  -9.913   0.204  -0.874
   96   1HG   LYS  13          2HG       LYS  13 -11.507  -2.366  -1.083
   97   2HG   LYS  13          1HG       LYS  13 -11.969  -0.898  -0.215
   98   1HD   LYS  13          2HD       LYS  13 -11.582   0.204  -2.611
   99   2HD   LYS  13          1HD       LYS  13 -11.941  -1.435  -3.156
  100   1HE   LYS  13          2HE       LYS  13 -13.954   0.116  -2.936
  101   2HE   LYS  13          1HE       LYS  13 -14.080  -1.424  -2.084
  102   1HZ   LYS  13          1HZ       LYS  13 -12.891   0.785  -0.610
  103   2HZ   LYS  13          3HZ       LYS  13 -14.552   0.907  -0.928
  104   3HZ   LYS  13          2HZ       LYS  13 -13.948  -0.434  -0.079
  105    H    SER  14           H        SER  14  -8.086   0.737  -1.285
  106    HA   SER  14           HA       SER  14  -5.545   0.238  -2.446
  107   1HB   SER  14          2HB       SER  14  -5.800   1.953  -0.022
  108   2HB   SER  14          1HB       SER  14  -4.799   2.168  -1.463
  109    HG   SER  14           HG       SER  14  -7.553   2.636  -1.087
  110    H    ILE  15           H        ILE  15  -5.814  -2.032  -1.612
  111    HA   ILE  15           HA       ILE  15  -4.181  -2.367   0.851
  112    HB   ILE  15           HB       ILE  15  -5.504  -4.768  -0.052
  113   1HG1  ILE  15          2HG1      ILE  15  -7.217  -3.216  -0.911
  114   2HG1  ILE  15          1HG1      ILE  15  -7.828  -4.086   0.485
  115   1HG2  ILE  15          1HG2      ILE  15  -4.650  -3.601   2.321
  116   2HG2  ILE  15          3HG2      ILE  15  -6.405  -3.641   2.481
  117   3HG2  ILE  15          2HG2      ILE  15  -5.514  -5.132   2.177
  118   1HD1  ILE  15          1HD1      ILE  15  -6.445  -1.732   1.370
  119   2HD1  ILE  15          3HD1      ILE  15  -7.649  -1.288   0.162
  120   3HD1  ILE  15          2HD1      ILE  15  -8.138  -2.167   1.612
  121    H    GLN  16           H        GLN  16  -5.167  -3.550  -2.287
  122    HA   GLN  16           HA       GLN  16  -2.790  -5.040  -2.920
  123   1HB   GLN  16          2HB       GLN  16  -4.807  -3.549  -4.642
  124   2HB   GLN  16          1HB       GLN  16  -3.583  -4.653  -5.278
  125   1HG   GLN  16          2HG       GLN  16  -5.603  -5.506  -3.195
  126   2HG   GLN  16          1HG       GLN  16  -5.914  -5.650  -4.925
  127   1HE2  GLN  16          2HE2      GLN  16  -4.238  -8.782  -3.523
  128   2HE2  GLN  16          1HE2      GLN  16  -5.557  -7.875  -2.959
  129    H    ASP  17           H        ASP  17  -3.913  -1.727  -2.982
  130    HA   ASP  17           HA       ASP  17  -1.501  -0.774  -4.329
  131   1HB   ASP  17          2HB       ASP  17  -3.942   0.213  -4.491
  132   2HB   ASP  17          1HB       ASP  17  -3.494   1.049  -3.005
  133    H    LEU  18           H        LEU  18  -2.856  -0.742  -1.010
  134    HA   LEU  18           HA       LEU  18  -0.825   0.890   0.163
  135   1HB   LEU  18          2HB       LEU  18  -2.871  -0.712   1.166
  136   2HB   LEU  18          1HB       LEU  18  -1.420  -1.555   1.696
  137    HG   LEU  18           HG       LEU  18  -2.230   0.180   3.326
  138   1HD1  LEU  18          1HD1      LEU  18   0.399  -0.300   2.333
  139   2HD1  LEU  18          3HD1      LEU  18   0.278   1.420   2.707
  140   3HD1  LEU  18          2HD1      LEU  18  -0.069   0.220   3.952
  141   1HD2  LEU  18          2HD2      LEU  18  -2.656   1.713   1.102
  142   2HD2  LEU  18          1HD2      LEU  18  -2.512   2.366   2.734
  143   3HD2  LEU  18          3HD2      LEU  18  -1.112   2.356   1.662
  144    H    ARG  19           H        ARG  19  -0.894  -2.177  -1.314
  145    HA   ARG  19           HA       ARG  19   1.793  -3.074  -0.523
  146   1HB   ARG  19          2HB       ARG  19   0.194  -4.812  -0.702
  147   2HB   ARG  19          1HB       ARG  19  -0.614  -4.038  -2.052
  148   1HG   ARG  19          2HG       ARG  19   1.419  -4.515  -3.453
  149   2HG   ARG  19          1HG       ARG  19   2.033  -5.504  -2.123
  150   1HD   ARG  19          2HD       ARG  19  -0.073  -6.091  -4.083
  151   2HD   ARG  19          1HD       ARG  19   0.873  -7.201  -3.095
  152    HE   ARG  19           HE       ARG  19  -1.418  -5.716  -1.883
  153   1HH1  ARG  19          1HH1      ARG  19  -2.358  -8.053  -3.424
  154   2HH1  ARG  19          2HH1      ARG  19  -2.291  -9.334  -2.259
  155   1HH2  ARG  19          1HH2      ARG  19  -0.240  -7.595  -0.071
  156   2HH2  ARG  19          2HH2      ARG  19  -1.095  -9.073  -0.360
  157    H    ARG  20           H        ARG  20   0.041  -2.620  -3.598
  158    HA   ARG  20           HA       ARG  20   2.273  -2.563  -5.251
  159   1HB   ARG  20          2HB       ARG  20  -0.493  -1.792  -5.461
  160   2HB   ARG  20          1HB       ARG  20   0.542  -0.629  -6.281
  161   1HG   ARG  20          2HG       ARG  20   1.069  -3.539  -6.696
  162   2HG   ARG  20          1HG       ARG  20  -0.285  -2.797  -7.550
  163   1HD   ARG  20          2HD       ARG  20   2.532  -1.687  -7.584
  164   2HD   ARG  20          1HD       ARG  20   1.885  -2.750  -8.834
  165    HE   ARG  20           HE       ARG  20   0.045  -0.644  -8.596
  166   1HH1  ARG  20          1HH1      ARG  20   0.747  -0.662 -11.207
  167   2HH1  ARG  20          2HH1      ARG  20   1.995   0.517 -11.434
  168   1HH2  ARG  20          1HH2      ARG  20   2.797   0.707  -8.066
  169   2HH2  ARG  20          2HH2      ARG  20   3.156   1.291  -9.656
  170    H    ARG  21           H        ARG  21   1.183  -0.178  -2.962
  171    HA   ARG  21           HA       ARG  21   2.603   2.087  -4.036
  172   1HB   ARG  21          2HB       ARG  21   1.414   1.319  -1.431
  173   2HB   ARG  21          1HB       ARG  21   2.815   2.388  -1.302
  174   1HG   ARG  21          2HG       ARG  21   1.743   3.939  -2.931
  175   2HG   ARG  21          1HG       ARG  21   0.321   2.894  -2.954
  176   1HD   ARG  21          2HD       ARG  21   1.207   3.631  -0.246
  177   2HD   ARG  21          1HD       ARG  21   0.684   5.002  -1.224
  178    HE   ARG  21           HE       ARG  21  -1.024   2.828  -0.253
  179   1HH1  ARG  21          1HH1      ARG  21  -2.504   2.475  -2.321
  180   2HH1  ARG  21          2HH1      ARG  21  -3.318   3.938  -2.764
  181   1HH2  ARG  21          1HH2      ARG  21  -1.220   5.980  -0.909
  182   2HH2  ARG  21          2HH2      ARG  21  -2.591   5.921  -1.965
  183    H    PHE  22           H        PHE  22   3.419  -0.561  -1.859
  184    HA   PHE  22           HA       PHE  22   6.226   0.181  -1.799
  185   1HB   PHE  22          2HB       PHE  22   4.768  -2.203  -0.757
  186   2HB   PHE  22          1HB       PHE  22   6.492  -1.924  -0.511
  187    HD1  PHE  22          1HD       PHE  22   3.140  -0.459  -0.092
  188    HD2  PHE  22          2HD       PHE  22   7.220  -0.462   1.197
  189    HE1  PHE  22          1HE       PHE  22   2.551   1.108   1.711
  190    HE2  PHE  22          2HE       PHE  22   6.635   1.112   3.022
  191    HZ   PHE  22           HZ       PHE  22   4.300   1.878   3.239
  192    H    PHE  23           H        PHE  23   4.087  -1.699  -3.716
  193    HA   PHE  23           HA       PHE  23   5.244  -3.820  -4.815
  194   1HB   PHE  23          2HB       PHE  23   3.635  -1.830  -5.974
  195   2HB   PHE  23          1HB       PHE  23   4.931  -2.137  -7.107
  196    HD1  PHE  23          1HD       PHE  23   3.270  -4.405  -4.667
  197    HD2  PHE  23          2HD       PHE  23   4.042  -3.429  -8.774
  198    HE1  PHE  23          1HE       PHE  23   2.153  -6.497  -5.377
  199    HE2  PHE  23          2HE       PHE  23   2.929  -5.520  -9.482
  200    HZ   PHE  23           HZ       PHE  23   1.995  -7.023  -7.777
  201    H    LEU  24           H        LEU  24   6.228  -0.740  -6.296
  202    HA   LEU  24           HA       LEU  24   8.677  -1.855  -7.330
  203   1HB   LEU  24          2HB       LEU  24   7.400   0.835  -7.227
  204   2HB   LEU  24          1HB       LEU  24   9.147   0.794  -7.462
  205    HG   LEU  24           HG       LEU  24   8.068   0.758  -9.640
  206   1HD1  LEU  24          3HD1      LEU  24  10.005  -0.952  -8.873
  207   2HD1  LEU  24          2HD1      LEU  24   8.779  -2.120  -9.365
  208   3HD1  LEU  24          1HD1      LEU  24   9.368  -0.922 -10.518
  209   1HD2  LEU  24          1HD2      LEU  24   6.453  -1.425  -8.344
  210   2HD2  LEU  24          3HD2      LEU  24   5.897  -0.048  -9.298
  211   3HD2  LEU  24          2HD2      LEU  24   6.668  -1.420 -10.094
  212    H    HIS  25           H        HIS  25   7.897   0.179  -4.502
  213    HA   HIS  25           HA       HIS  25  10.561   0.704  -3.684
  214   1HB   HIS  25          2HB       HIS  25   7.936   0.499  -2.278
  215   2HB   HIS  25          1HB       HIS  25   9.399   0.530  -1.291
  216    HD1  HIS  25          1HD       HIS  25  10.607   2.751  -1.061
  217    HD2  HIS  25          2HD       HIS  25   7.613   2.866  -3.958
  218    HE1  HIS  25          1HE       HIS  25  10.380   5.174  -1.759
  219    H    HIS  26           H        HIS  26   8.489  -2.124  -3.005
  220    HA   HIS  26           HA       HIS  26  10.186  -3.489  -1.239
  221   1HB   HIS  26          2HB       HIS  26   7.819  -4.068  -2.432
  222   2HB   HIS  26          1HB       HIS  26   8.920  -5.173  -3.260
  223    HD1  HIS  26          1HD       HIS  26   9.299  -4.030   0.307
  224    HD2  HIS  26          2HD       HIS  26   8.364  -7.501  -1.798
  225    HE1  HIS  26          1HE       HIS  26   9.325  -5.905   1.989
  226    H    LEU  27           H        LEU  27   9.904  -4.429  -4.655
  227    HA   LEU  27           HA       LEU  27  12.357  -5.812  -4.782
  228   1HB   LEU  27          2HB       LEU  27  11.183  -4.277  -7.104
  229   2HB   LEU  27          1HB       LEU  27  12.086  -5.792  -7.148
  230    HG   LEU  27           HG       LEU  27   9.266  -5.320  -6.180
  231   1HD1  LEU  27          3HD1      LEU  27   9.736  -5.865  -8.587
  232   2HD1  LEU  27          2HD1      LEU  27  10.457  -7.384  -8.055
  233   3HD1  LEU  27          1HD1      LEU  27   8.743  -7.075  -7.773
  234   1HD2  LEU  27          3HD2      LEU  27  10.463  -6.650  -4.463
  235   2HD2  LEU  27          2HD2      LEU  27   9.281  -7.636  -5.325
  236   3HD2  LEU  27          1HD2      LEU  27  10.996  -7.775  -5.714
  237    H    ILE  28           H        ILE  28  11.696  -2.382  -4.939
  238    HA   ILE  28           HA       ILE  28  14.594  -1.901  -5.504
  239    HB   ILE  28           HB       ILE  28  12.186  -0.104  -5.936
  240   1HG1  ILE  28          2HG1      ILE  28  14.162  -1.358  -7.872
  241   2HG1  ILE  28          1HG1      ILE  28  12.511  -1.918  -7.606
  242   1HG2  ILE  28          3HG2      ILE  28  14.618   0.814  -5.212
  243   2HG2  ILE  28          2HG2      ILE  28  14.894   0.616  -6.942
  244   3HG2  ILE  28          1HG2      ILE  28  13.592   1.659  -6.371
  245   1HD1  ILE  28          2HD1      ILE  28  11.703   0.374  -8.263
  246   2HD1  ILE  28          1HD1      ILE  28  13.364   0.777  -8.699
  247   3HD1  ILE  28          3HD1      ILE  28  12.509  -0.498  -9.567
  248    H    ALA  29           H        ALA  29  15.121  -2.223  -3.243
  249    HA   ALA  29           HA       ALA  29  15.730  -1.243  -1.183
  250   1HB   ALA  29          2HB       ALA  29  15.442   0.954  -2.569
  251   2HB   ALA  29          1HB       ALA  29  13.892   1.077  -1.737
  252   3HB   ALA  29          3HB       ALA  29  15.391   1.051  -0.809
  253    H    GLU  30           H        GLU  30  14.243  -3.153  -0.656
  254    HA   GLU  30           HA       GLU  30  11.541  -2.425   0.259
  255   1HB   GLU  30          2HB       GLU  30  11.629  -4.878   1.110
  256   2HB   GLU  30          1HB       GLU  30  11.612  -4.605  -0.636
  257   1HG   GLU  30          2HG       GLU  30  13.883  -5.115  -0.871
  258   2HG   GLU  30          1HG       GLU  30  14.235  -4.774   0.828
  259    H    ILE  31           H        ILE  31  11.480  -1.253   2.119
  260    HA   ILE  31           HA       ILE  31  13.443  -1.844   4.265
  261    HB   ILE  31           HB       ILE  31  11.322   0.218   4.601
  262   1HG1  ILE  31          2HG1      ILE  31  11.961   0.565   2.264
  263   2HG1  ILE  31          1HG1      ILE  31  12.686   1.833   3.253
  264   1HG2  ILE  31          2HG2      ILE  31  13.201  -0.327   6.239
  265   2HG2  ILE  31          1HG2      ILE  31  14.307   0.368   5.055
  266   3HG2  ILE  31          3HG2      ILE  31  13.050   1.369   5.782
  267   1HD1  ILE  31          1HD1      ILE  31  14.164  -0.717   2.592
  268   2HD1  ILE  31          3HD1      ILE  31  14.225   0.698   1.540
  269   3HD1  ILE  31          2HD1      ILE  31  14.827   0.802   3.195
  270    H    HIS  32           H        HIS  32  12.818  -3.494   5.546
  271    HA   HIS  32           HA       HIS  32  10.217  -4.501   5.874
  272   1HB   HIS  32          2HB       HIS  32  11.073  -5.700   7.811
  273   2HB   HIS  32          1HB       HIS  32  12.317  -5.681   6.557
  274    HD1  HIS  32          1HD       HIS  32  12.018  -5.184  10.047
  275    HD2  HIS  32          2HD       HIS  32  14.050  -3.138   7.037
  276    HE1  HIS  32          1HE       HIS  32  13.816  -3.820  11.196
  277    H    THR  33           H        THR  33   8.557  -3.154   6.487
  278    HA   THR  33           HA       THR  33   7.379  -1.539   7.738
  279    HB   THR  33           HB       THR  33   8.826  -2.375  10.203
  280    HG1  THR  33          1HG       THR  33   7.249  -4.124   8.621
  281   1HG2  THR  33          2HG2      THR  33   6.066  -1.730   9.294
  282   2HG2  THR  33          1HG2      THR  33   6.223  -2.881  10.621
  283   3HG2  THR  33          3HG2      THR  33   6.903  -1.262  10.776
  284    H    ALA  34           H        ALA  34   7.954   0.033   9.868
  285    HA   ALA  34           HA       ALA  34   9.135   1.959  10.503
  286   1HB   ALA  34          2HB       ALA  34  11.040  -0.054  10.251
  287   2HB   ALA  34          1HB       ALA  34  11.687   1.254   9.260
  288   3HB   ALA  34          3HB       ALA  34  11.312   1.538  10.960
   
  No H/Q in entry =         288
  Start of MODEL   29
    1   1H    ALA   1          1HT       ALA   1 -19.978 -13.410  -0.363
    2   2H    ALA   1          3HT       ALA   1 -21.013 -13.760  -1.661
    3   3H    ALA   1          2HT       ALA   1 -19.398 -14.283  -1.700
    4    HA   ALA   1           HA       ALA   1 -18.578 -12.090  -1.928
    5   1HB   ALA   1          1HB       ALA   1 -19.466 -13.156  -3.990
    6   2HB   ALA   1          3HB       ALA   1 -21.038 -12.423  -3.673
    7   3HB   ALA   1          2HB       ALA   1 -19.646 -11.402  -4.029
    8    H    VAL   2           H        VAL   2 -18.895  -9.830  -1.696
    9    HA   VAL   2           HA       VAL   2 -19.795  -7.947  -0.641
   10    HB   VAL   2           HB       VAL   2 -21.439  -8.882  -2.625
   11   1HG1  VAL   2          3HG1      VAL   2 -22.930  -9.700  -0.651
   12   2HG1  VAL   2          2HG1      VAL   2 -23.325  -7.992  -0.453
   13   3HG1  VAL   2          1HG1      VAL   2 -23.697  -8.814  -1.970
   14   1HG2  VAL   2          1HG2      VAL   2 -20.641  -6.456  -1.534
   15   2HG2  VAL   2          3HG2      VAL   2 -21.588  -6.662  -3.007
   16   3HG2  VAL   2          2HG2      VAL   2 -22.401  -6.382  -1.467
   17    H    SER   3           H        SER   3 -19.818 -10.696   0.757
   18    HA   SER   3           HA       SER   3 -22.013 -10.981   2.482
   19   1HB   SER   3          2HB       SER   3 -20.406 -12.683   2.658
   20   2HB   SER   3          1HB       SER   3 -19.070 -11.538   2.795
   21    HG   SER   3           HG       SER   3 -20.979 -12.326   4.712
   22    H    GLU   4           H        GLU   4 -22.189 -10.304   4.796
   23    HA   GLU   4           HA       GLU   4 -22.143  -7.524   5.155
   24   1HB   GLU   4          2HB       GLU   4 -23.300  -9.228   6.623
   25   2HB   GLU   4          1HB       GLU   4 -21.742  -9.541   7.377
   26   1HG   GLU   4          2HG       GLU   4 -23.020  -7.898   8.690
   27   2HG   GLU   4          1HG       GLU   4 -21.575  -7.153   8.008
   28    H    HIS   5           H        HIS   5 -19.628  -9.906   5.870
   29    HA   HIS   5           HA       HIS   5 -17.842  -8.372   7.333
   30   1HB   HIS   5          2HB       HIS   5 -17.736 -10.785   5.902
   31   2HB   HIS   5          1HB       HIS   5 -16.373  -9.810   5.355
   32    HD1  HIS   5          1HD       HIS   5 -15.091  -8.572   7.554
   33    HD2  HIS   5          2HD       HIS   5 -17.108 -12.163   8.183
   34    HE1  HIS   5          1HE       HIS   5 -14.175  -9.539   9.710
   35    H    GLN   6           H        GLN   6 -18.668  -8.022   3.950
   36    HA   GLN   6           HA       GLN   6 -16.466  -6.649   2.965
   37   1HB   GLN   6          2HB       GLN   6 -19.258  -6.792   2.329
   38   2HB   GLN   6          1HB       GLN   6 -18.684  -5.135   2.136
   39   1HG   GLN   6          2HG       GLN   6 -16.641  -6.685   1.054
   40   2HG   GLN   6          1HG       GLN   6 -18.112  -7.493   0.517
   41   1HE2  GLN   6          2HE2      GLN   6 -17.654  -4.970  -2.078
   42   2HE2  GLN   6          1HE2      GLN   6 -17.075  -6.514  -1.637
   43    H    LEU   7           H        LEU   7 -16.422  -4.095   2.694
   44    HA   LEU   7           HA       LEU   7 -16.272  -2.000   3.761
   45   1HB   LEU   7          2HB       LEU   7 -18.651  -3.233   4.956
   46   2HB   LEU   7          1HB       LEU   7 -17.807  -2.165   6.078
   47    HG   LEU   7           HG       LEU   7 -17.917  -0.963   3.452
   48   1HD1  LEU   7          2HD1      LEU   7 -19.956  -2.396   3.245
   49   2HD1  LEU   7          1HD1      LEU   7 -20.593  -1.644   4.707
   50   3HD1  LEU   7          3HD1      LEU   7 -20.331  -0.672   3.259
   51   1HD2  LEU   7          2HD2      LEU   7 -17.593   0.108   5.737
   52   2HD2  LEU   7          1HD2      LEU   7 -18.773   0.906   4.699
   53   3HD2  LEU   7          3HD2      LEU   7 -19.318  -0.141   6.010
   54    H    LEU   8           H        LEU   8 -16.687  -4.477   6.358
   55    HA   LEU   8           HA       LEU   8 -14.441  -3.443   7.803
   56   1HB   LEU   8          2HB       LEU   8 -16.210  -4.409   9.072
   57   2HB   LEU   8          1HB       LEU   8 -16.195  -5.846   8.058
   58    HG   LEU   8           HG       LEU   8 -13.989  -6.441   8.834
   59   1HD1  LEU   8          1HD1      LEU   8 -13.988  -3.672   9.552
   60   2HD1  LEU   8          3HD1      LEU   8 -13.634  -4.624  10.993
   61   3HD1  LEU   8          2HD1      LEU   8 -12.631  -4.799   9.553
   62   1HD2  LEU   8          1HD2      LEU   8 -15.878  -5.701  11.087
   63   2HD2  LEU   8          3HD2      LEU   8 -15.847  -7.229  10.208
   64   3HD2  LEU   8          2HD2      LEU   8 -14.502  -6.790  11.262
   65    H    HIS   9           H        HIS   9 -15.208  -5.988   5.577
   66    HA   HIS   9           HA       HIS   9 -12.732  -7.419   5.783
   67   1HB   HIS   9          2HB       HIS   9 -14.591  -8.661   5.057
   68   2HB   HIS   9          1HB       HIS   9 -15.066  -7.444   3.871
   69    HD1  HIS   9          1HD       HIS   9 -14.509  -8.270   1.555
   70    HD2  HIS   9          2HD       HIS   9 -11.778  -9.477   4.417
   71    HE1  HIS   9          1HE       HIS   9 -12.738  -9.594   0.311
   72    H    ASP  10           H        ASP  10 -13.469  -4.448   4.490
   73    HA   ASP  10           HA       ASP  10 -12.662  -3.236   2.601
   74   1HB   ASP  10          2HB       ASP  10 -11.418  -2.503   4.421
   75   2HB   ASP  10          1HB       ASP  10 -10.552  -4.032   4.555
   76    H    LYS  11           H        LYS  11  -9.733  -5.134   2.957
   77    HA   LYS  11           HA       LYS  11  -8.405  -6.030   1.226
   78   1HB   LYS  11          2HB       LYS  11  -9.903  -7.846   2.169
   79   2HB   LYS  11          1HB       LYS  11 -10.920  -7.625   0.740
   80   1HG   LYS  11          2HG       LYS  11  -9.171  -9.454   0.521
   81   2HG   LYS  11          1HG       LYS  11  -9.116  -8.220  -0.737
   82   1HD   LYS  11          2HD       LYS  11  -7.232  -7.141   0.255
   83   2HD   LYS  11          1HD       LYS  11  -7.417  -8.043   1.760
   84   1HE   LYS  11          2HE       LYS  11  -7.175  -9.890  -0.438
   85   2HE   LYS  11          1HE       LYS  11  -5.834  -8.747  -0.482
   86   1HZ   LYS  11          2HZ       LYS  11  -5.625  -9.216   1.986
   87   2HZ   LYS  11          1HZ       LYS  11  -6.632 -10.558   1.714
   88   3HZ   LYS  11          3HZ       LYS  11  -5.134 -10.449   0.927
   89    H    GLY  12           H        GLY  12  -9.976  -3.692   0.356
   90   1HA   GLY  12          2HA       GLY  12  -9.870  -4.266  -2.552
   91   2HA   GLY  12          1HA       GLY  12 -11.349  -3.547  -1.911
   92    H    LYS  13           H        LYS  13 -10.072  -1.897   0.068
   93    HA   LYS  13           HA       LYS  13  -9.531   0.418  -1.432
   94   1HB   LYS  13          2HB       LYS  13  -8.611  -0.093   1.356
   95   2HB   LYS  13          1HB       LYS  13  -8.949   1.473   0.630
   96   1HG   LYS  13          2HG       LYS  13 -10.914  -0.711   1.361
   97   2HG   LYS  13          1HG       LYS  13 -10.873   0.956   1.946
   98   1HD   LYS  13          2HD       LYS  13 -11.319   1.731  -0.395
   99   2HD   LYS  13          1HD       LYS  13 -11.507   0.043  -0.876
  100   1HE   LYS  13          2HE       LYS  13 -13.190   0.057   1.216
  101   2HE   LYS  13          1HE       LYS  13 -13.309   1.758   0.768
  102   1HZ   LYS  13          2HZ       LYS  13 -13.699  -0.537  -1.077
  103   2HZ   LYS  13          1HZ       LYS  13 -14.944   0.394  -0.391
  104   3HZ   LYS  13          3HZ       LYS  13 -13.856   1.106  -1.480
  105    H    SER  14           H        SER  14  -7.298   1.594  -0.402
  106    HA   SER  14           HA       SER  14  -5.376   0.428  -2.154
  107   1HB   SER  14          2HB       SER  14  -4.450   2.433  -0.201
  108   2HB   SER  14          1HB       SER  14  -4.207   2.341  -1.949
  109    HG   SER  14           HG       SER  14  -6.651   2.730  -1.895
  110    H    ILE  15           H        ILE  15  -5.769  -1.571  -0.806
  111    HA   ILE  15           HA       ILE  15  -3.508  -1.904   1.104
  112    HB   ILE  15           HB       ILE  15  -5.165  -4.154   1.191
  113   1HG1  ILE  15          2HG1      ILE  15  -7.267  -2.754   2.078
  114   2HG1  ILE  15          1HG1      ILE  15  -6.740  -1.655   0.830
  115   1HG2  ILE  15          1HG2      ILE  15  -3.830  -2.872   2.999
  116   2HG2  ILE  15          3HG2      ILE  15  -5.308  -1.934   3.215
  117   3HG2  ILE  15          2HG2      ILE  15  -5.321  -3.676   3.491
  118   1HD1  ILE  15          3HD1      ILE  15  -6.549  -4.231  -0.273
  119   2HD1  ILE  15          2HD1      ILE  15  -8.097  -4.175   0.562
  120   3HD1  ILE  15          1HD1      ILE  15  -7.723  -2.984  -0.686
  121    H    GLN  16           H        GLN  16  -5.545  -3.209  -1.433
  122    HA   GLN  16           HA       GLN  16  -3.711  -5.201  -2.410
  123   1HB   GLN  16          2HB       GLN  16  -5.903  -3.613  -3.768
  124   2HB   GLN  16          1HB       GLN  16  -5.071  -4.994  -4.492
  125   1HG   GLN  16          2HG       GLN  16  -5.898  -6.483  -2.773
  126   2HG   GLN  16          1HG       GLN  16  -6.577  -5.126  -1.870
  127   1HE2  GLN  16          2HE2      GLN  16  -8.973  -4.541  -4.637
  128   2HE2  GLN  16          1HE2      GLN  16  -7.746  -3.638  -3.914
  129    H    ASP  17           H        ASP  17  -4.257  -1.779  -2.621
  130    HA   ASP  17           HA       ASP  17  -2.210  -1.405  -4.734
  131   1HB   ASP  17          2HB       ASP  17  -4.495   0.034  -3.992
  132   2HB   ASP  17          1HB       ASP  17  -3.155   1.023  -3.410
  133    H    LEU  18           H        LEU  18  -2.695  -0.865  -1.246
  134    HA   LEU  18           HA       LEU  18  -0.344   0.571  -0.640
  135   1HB   LEU  18          2HB       LEU  18  -1.841  -0.009   1.172
  136   2HB   LEU  18          1HB       LEU  18  -1.669  -1.732   0.837
  137    HG   LEU  18           HG       LEU  18   0.851  -1.353   1.304
  138   1HD1  LEU  18          1HD1      LEU  18  -0.336   1.269   1.932
  139   2HD1  LEU  18          3HD1      LEU  18   0.703   0.628   3.204
  140   3HD1  LEU  18          2HD1      LEU  18   1.338   0.849   1.574
  141   1HD2  LEU  18          1HD2      LEU  18  -1.182  -2.265   2.840
  142   2HD2  LEU  18          3HD2      LEU  18   0.480  -2.159   3.422
  143   3HD2  LEU  18          2HD2      LEU  18  -0.675  -0.885   3.814
  144    H    ARG  19           H        ARG  19  -0.915  -2.649  -1.718
  145    HA   ARG  19           HA       ARG  19   1.718  -3.763  -1.311
  146   1HB   ARG  19          2HB       ARG  19   0.033  -5.373  -1.625
  147   2HB   ARG  19          1HB       ARG  19  -0.801  -4.398  -2.822
  148   1HG   ARG  19          2HG       ARG  19   1.081  -4.822  -4.415
  149   2HG   ARG  19          1HG       ARG  19   1.759  -5.956  -3.241
  150   1HD   ARG  19          2HD       ARG  19  -0.673  -6.204  -4.944
  151   2HD   ARG  19          1HD       ARG  19   0.484  -7.442  -4.457
  152    HE   ARG  19           HE       ARG  19  -1.826  -6.502  -2.842
  153   1HH1  ARG  19          1HH1      ARG  19  -2.572  -8.892  -2.577
  154   2HH1  ARG  19          2HH1      ARG  19  -1.466  -9.825  -1.624
  155   1HH2  ARG  19          1HH2      ARG  19   1.124  -7.539  -1.911
  156   2HH2  ARG  19          2HH2      ARG  19   0.627  -9.061  -1.249
  157    H    ARG  20           H        ARG  20  -0.028  -2.404  -4.111
  158    HA   ARG  20           HA       ARG  20   2.365  -2.370  -5.755
  159   1HB   ARG  20          2HB       ARG  20   0.993  -1.624  -7.454
  160   2HB   ARG  20          1HB       ARG  20  -0.185  -2.411  -6.406
  161   1HG   ARG  20          2HG       ARG  20  -1.306  -0.444  -6.447
  162   2HG   ARG  20          1HG       ARG  20  -0.042   0.171  -5.380
  163   1HD   ARG  20          2HD       ARG  20   0.499   1.634  -7.011
  164   2HD   ARG  20          1HD       ARG  20   1.077   0.256  -7.950
  165    HE   ARG  20           HE       ARG  20  -1.700   0.353  -8.350
  166   1HH1  ARG  20          1HH1      ARG  20  -2.695   2.261  -9.385
  167   2HH1  ARG  20          2HH1      ARG  20  -1.704   3.097 -10.534
  168   1HH2  ARG  20          1HH2      ARG  20   1.211   1.465  -9.605
  169   2HH2  ARG  20          2HH2      ARG  20   0.508   2.651 -10.654
  170    H    ARG  21           H        ARG  21   1.396  -0.611  -3.124
  171    HA   ARG  21           HA       ARG  21   2.538   1.971  -3.953
  172   1HB   ARG  21          2HB       ARG  21   1.306   0.820  -1.457
  173   2HB   ARG  21          1HB       ARG  21   2.342   2.236  -1.306
  174   1HG   ARG  21          2HG       ARG  21   0.948   3.349  -3.081
  175   2HG   ARG  21          1HG       ARG  21  -0.161   1.979  -2.981
  176   1HD   ARG  21          2HD       ARG  21   0.382   2.840  -0.324
  177   2HD   ARG  21          1HD       ARG  21  -0.026   4.269  -1.274
  178    HE   ARG  21           HE       ARG  21  -1.788   1.869  -1.017
  179   1HH1  ARG  21          1HH1      ARG  21  -2.967   3.863   0.524
  180   2HH1  ARG  21          2HH1      ARG  21  -3.849   4.875  -0.571
  181   1HH2  ARG  21          1HH2      ARG  21  -2.152   3.761  -3.383
  182   2HH2  ARG  21          2HH2      ARG  21  -3.385   4.821  -2.784
  183    H    PHE  22           H        PHE  22   3.245  -0.952  -2.193
  184    HA   PHE  22           HA       PHE  22   5.988  -0.139  -1.582
  185   1HB   PHE  22          2HB       PHE  22   4.611  -2.765  -1.224
  186   2HB   PHE  22          1HB       PHE  22   6.195  -2.349  -0.575
  187    HD1  PHE  22          1HD       PHE  22   5.524   0.561   0.017
  188    HD2  PHE  22          2HD       PHE  22   3.466  -3.115   0.829
  189    HE1  PHE  22          1HE       PHE  22   4.371   1.630   1.909
  190    HE2  PHE  22          2HE       PHE  22   2.316  -2.039   2.735
  191    HZ   PHE  22           HZ       PHE  22   2.781   0.325   3.235
  192    H    PHE  23           H        PHE  23   4.115  -1.771  -3.946
  193    HA   PHE  23           HA       PHE  23   5.319  -3.615  -5.363
  194   1HB   PHE  23          2HB       PHE  23   3.889  -1.344  -6.147
  195   2HB   PHE  23          1HB       PHE  23   5.290  -1.384  -7.202
  196    HD1  PHE  23          1HD       PHE  23   3.581  -4.282  -5.646
  197    HD2  PHE  23          2HD       PHE  23   4.318  -2.005  -9.208
  198    HE1  PHE  23          1HE       PHE  23   2.474  -6.034  -7.002
  199    HE2  PHE  23          2HE       PHE  23   3.218  -3.757 -10.561
  200    HZ   PHE  23           HZ       PHE  23   2.302  -5.739  -9.441
  201    H    LEU  24           H        LEU  24   6.561  -0.402  -6.240
  202    HA   LEU  24           HA       LEU  24   9.138  -1.497  -7.001
  203   1HB   LEU  24          2HB       LEU  24   8.113   1.334  -6.666
  204   2HB   LEU  24          1HB       LEU  24   9.759   0.968  -7.181
  205    HG   LEU  24           HG       LEU  24   7.811  -0.576  -8.692
  206   1HD1  LEU  24          2HD1      LEU  24   6.407   1.434  -8.201
  207   2HD1  LEU  24          1HD1      LEU  24   7.661   2.446  -8.919
  208   3HD1  LEU  24          3HD1      LEU  24   6.795   1.275  -9.914
  209   1HD2  LEU  24          2HD2      LEU  24  10.334   0.211  -9.072
  210   2HD2  LEU  24          1HD2      LEU  24   9.251  -0.072 -10.433
  211   3HD2  LEU  24          3HD2      LEU  24   9.536   1.572  -9.860
  212    H    HIS  25           H        HIS  25   7.834   0.183  -4.167
  213    HA   HIS  25           HA       HIS  25  10.262   0.778  -2.838
  214   1HB   HIS  25          2HB       HIS  25   7.824   1.320  -2.137
  215   2HB   HIS  25          1HB       HIS  25   7.842  -0.273  -1.372
  216    HD1  HIS  25          1HD       HIS  25   8.507   3.133  -0.578
  217    HD2  HIS  25          2HD       HIS  25  10.400  -0.462   0.358
  218    HE1  HIS  25          1HE       HIS  25   9.946   3.590   1.455
  219    H    HIS  26           H        HIS  26   8.454  -2.266  -3.052
  220    HA   HIS  26           HA       HIS  26  10.016  -3.707  -1.148
  221   1HB   HIS  26          2HB       HIS  26   7.753  -4.233  -2.547
  222   2HB   HIS  26          1HB       HIS  26   8.941  -5.227  -3.394
  223    HD1  HIS  26          1HD       HIS  26   9.015  -4.403   0.279
  224    HD2  HIS  26          2HD       HIS  26   8.410  -7.700  -2.196
  225    HE1  HIS  26          1HE       HIS  26   8.971  -6.421   1.787
  226    H    LEU  27           H        LEU  27  10.053  -3.957  -4.705
  227    HA   LEU  27           HA       LEU  27  12.561  -5.383  -4.729
  228   1HB   LEU  27          2HB       LEU  27  11.411  -3.866  -7.071
  229   2HB   LEU  27          1HB       LEU  27  12.368  -5.347  -7.087
  230    HG   LEU  27           HG       LEU  27   9.511  -5.016  -6.143
  231   1HD1  LEU  27          2HD1      LEU  27   9.924  -5.300  -8.589
  232   2HD1  LEU  27          1HD1      LEU  27  10.761  -6.813  -8.242
  233   3HD1  LEU  27          3HD1      LEU  27   9.040  -6.655  -7.887
  234   1HD2  LEU  27          2HD2      LEU  27  11.579  -6.952  -5.374
  235   2HD2  LEU  27          1HD2      LEU  27  10.005  -6.642  -4.641
  236   3HD2  LEU  27          3HD2      LEU  27  10.131  -7.713  -6.035
  237    H    ILE  28           H        ILE  28  11.810  -2.049  -4.406
  238    HA   ILE  28           HA       ILE  28  14.616  -1.363  -5.200
  239    HB   ILE  28           HB       ILE  28  12.175   0.437  -5.130
  240   1HG1  ILE  28          2HG1      ILE  28  12.195  -1.184  -7.015
  241   2HG1  ILE  28          1HG1      ILE  28  12.436   0.469  -7.579
  242   1HG2  ILE  28          2HG2      ILE  28  15.045   0.952  -5.172
  243   2HG2  ILE  28          1HG2      ILE  28  14.236   1.638  -6.580
  244   3HG2  ILE  28          3HG2      ILE  28  13.710   2.085  -4.957
  245   1HD1  ILE  28          3HD1      ILE  28  15.008  -0.497  -6.966
  246   2HD1  ILE  28          2HD1      ILE  28  14.202  -1.808  -7.828
  247   3HD1  ILE  28          1HD1      ILE  28  14.336  -0.216  -8.572
  248    H    ALA  29           H        ALA  29  14.309  -2.406  -2.685
  249    HA   ALA  29           HA       ALA  29  15.527  -0.653  -0.959
  250   1HB   ALA  29          1HB       ALA  29  12.671  -0.006  -1.256
  251   2HB   ALA  29          3HB       ALA  29  13.184  -0.209   0.419
  252   3HB   ALA  29          2HB       ALA  29  13.985   0.978  -0.611
  253    H    GLU  30           H        GLU  30  14.818  -1.197   1.506
  254    HA   GLU  30           HA       GLU  30  14.880  -2.947   3.075
  255   1HB   GLU  30          2HB       GLU  30  12.982  -4.708   1.849
  256   2HB   GLU  30          1HB       GLU  30  12.790  -3.721   3.293
  257   1HG   GLU  30          2HG       GLU  30  12.468  -1.756   1.582
  258   2HG   GLU  30          1HG       GLU  30  12.102  -3.053   0.439
  259    H    ILE  31           H        ILE  31  17.045  -3.452   2.071
  260    HA   ILE  31           HA       ILE  31  17.046  -6.286   1.193
  261    HB   ILE  31           HB       ILE  31  18.694  -4.166  -0.181
  262   1HG1  ILE  31          2HG1      ILE  31  16.205  -3.946  -0.592
  263   2HG1  ILE  31          1HG1      ILE  31  17.155  -4.278  -2.040
  264   1HG2  ILE  31          3HG2      ILE  31  18.464  -7.115  -0.302
  265   2HG2  ILE  31          2HG2      ILE  31  18.537  -6.303  -1.864
  266   3HG2  ILE  31          1HG2      ILE  31  19.836  -6.078  -0.692
  267   1HD1  ILE  31          2HD1      ILE  31  16.471  -6.781  -0.844
  268   2HD1  ILE  31          1HD1      ILE  31  15.002  -5.814  -0.963
  269   3HD1  ILE  31          3HD1      ILE  31  15.959  -6.146  -2.407
  270    H    HIS  32           H        HIS  32  17.631  -5.275   3.687
  271    HA   HIS  32           HA       HIS  32  20.107  -4.443   4.463
  272   1HB   HIS  32          2HB       HIS  32  18.254  -6.501   5.564
  273   2HB   HIS  32          1HB       HIS  32  19.882  -6.427   6.248
  274    HD1  HIS  32          1HD       HIS  32  20.265  -3.320   5.963
  275    HD2  HIS  32          2HD       HIS  32  16.923  -5.156   7.648
  276    HE1  HIS  32          1HE       HIS  32  19.207  -1.610   7.498
  277    H    THR  33           H        THR  33  21.965  -4.943   3.370
  278    HA   THR  33           HA       THR  33  22.550  -7.829   2.868
  279    HB   THR  33           HB       THR  33  24.476  -6.142   1.616
  280    HG1  THR  33          1HG       THR  33  23.279  -4.429   1.364
  281   1HG2  THR  33          1HG2      THR  33  23.519  -8.405   0.932
  282   2HG2  THR  33          3HG2      THR  33  22.121  -7.522   0.317
  283   3HG2  THR  33          2HG2      THR  33  23.720  -7.231  -0.370
  284    H    ALA  34           H        ALA  34  23.009  -7.659   5.349
  285    HA   ALA  34           HA       ALA  34  25.851  -6.793   5.715
  286   1HB   ALA  34          2HB       ALA  34  23.464  -6.665   7.530
  287   2HB   ALA  34          1HB       ALA  34  25.067  -6.861   8.238
  288   3HB   ALA  34          3HB       ALA  34  24.711  -5.452   7.240
   
  No H/Q in entry =         288
  Start of MODEL   30
    1   1H    ALA   1          1HT       ALA   1 -25.251   2.867  -2.560
    2   2H    ALA   1          3HT       ALA   1 -26.067   2.716  -1.081
    3   3H    ALA   1          2HT       ALA   1 -25.963   4.232  -1.841
    4    HA   ALA   1           HA       ALA   1 -23.671   4.425  -1.417
    5   1HB   ALA   1          2HB       ALA   1 -25.370   3.452   0.862
    6   2HB   ALA   1          1HB       ALA   1 -23.664   3.797   1.144
    7   3HB   ALA   1          3HB       ALA   1 -24.736   5.068   0.558
    8    H    VAL   2           H        VAL   2 -22.015   3.166   0.324
    9    HA   VAL   2           HA       VAL   2 -20.756   1.155  -1.074
   10    HB   VAL   2           HB       VAL   2 -19.712   2.084   0.891
   11   1HG1  VAL   2          2HG1      VAL   2 -22.143   2.095   2.019
   12   2HG1  VAL   2          1HG1      VAL   2 -21.524   0.617   2.756
   13   3HG1  VAL   2          3HG1      VAL   2 -20.671   2.144   2.986
   14   1HG2  VAL   2          3HG2      VAL   2 -19.344  -0.399   0.241
   15   2HG2  VAL   2          2HG2      VAL   2 -18.802   0.114   1.839
   16   3HG2  VAL   2          1HG2      VAL   2 -20.316  -0.773   1.664
   17    H    SER   3           H        SER   3 -20.718  -1.216  -0.788
   18    HA   SER   3           HA       SER   3 -23.455  -2.277  -0.539
   19   1HB   SER   3          2HB       SER   3 -22.714  -3.736  -2.087
   20   2HB   SER   3          1HB       SER   3 -21.125  -2.973  -2.020
   21    HG   SER   3           HG       SER   3 -21.751  -5.389  -1.261
   22    H    GLU   4           H        GLU   4 -23.171  -4.762   0.489
   23    HA   GLU   4           HA       GLU   4 -22.403  -4.192   3.308
   24   1HB   GLU   4          2HB       GLU   4 -24.723  -5.039   2.695
   25   2HB   GLU   4          1HB       GLU   4 -23.960  -6.564   2.254
   26   1HG   GLU   4          2HG       GLU   4 -22.931  -5.839   4.799
   27   2HG   GLU   4          1HG       GLU   4 -24.679  -5.617   4.872
   28    H    HIS   5           H        HIS   5 -22.305  -7.049   1.146
   29    HA   HIS   5           HA       HIS   5 -20.315  -8.402   2.618
   30   1HB   HIS   5          2HB       HIS   5 -21.802  -8.855   0.272
   31   2HB   HIS   5          1HB       HIS   5 -20.101  -9.085  -0.133
   32    HD1  HIS   5          1HD       HIS   5 -18.771 -10.639   1.766
   33    HD2  HIS   5          2HD       HIS   5 -22.904 -11.066   1.459
   34    HE1  HIS   5          1HE       HIS   5 -19.345 -12.851   2.861
   35    H    GLN   6           H        GLN   6 -19.989  -5.613   0.726
   36    HA   GLN   6           HA       GLN   6 -17.274  -6.170  -0.113
   37   1HB   GLN   6          2HB       GLN   6 -19.256  -4.100  -0.594
   38   2HB   GLN   6          1HB       GLN   6 -17.606  -3.491  -0.476
   39   1HG   GLN   6          2HG       GLN   6 -17.317  -5.761  -2.021
   40   2HG   GLN   6          1HG       GLN   6 -18.859  -5.113  -2.575
   41   1HE2  GLN   6          2HE2      GLN   6 -17.366  -2.027  -3.764
   42   2HE2  GLN   6          1HE2      GLN   6 -18.781  -2.611  -3.010
   43    H    LEU   7           H        LEU   7 -18.142  -5.982   2.742
   44    HA   LEU   7           HA       LEU   7 -16.393  -3.836   3.717
   45   1HB   LEU   7          2HB       LEU   7 -18.771  -5.164   4.742
   46   2HB   LEU   7          1HB       LEU   7 -17.459  -5.196   5.922
   47    HG   LEU   7           HG       LEU   7 -17.710  -2.605   4.578
   48   1HD1  LEU   7          1HD1      LEU   7 -20.115  -3.372   4.648
   49   2HD1  LEU   7          3HD1      LEU   7 -19.967  -3.483   6.402
   50   3HD1  LEU   7          2HD1      LEU   7 -19.791  -1.922   5.600
   51   1HD2  LEU   7          2HD2      LEU   7 -16.382  -3.221   6.661
   52   2HD2  LEU   7          1HD2      LEU   7 -17.409  -1.797   6.820
   53   3HD2  LEU   7          3HD2      LEU   7 -17.924  -3.336   7.510
   54    H    LEU   8           H        LEU   8 -17.059  -7.197   4.746
   55    HA   LEU   8           HA       LEU   8 -14.484  -7.649   5.777
   56   1HB   LEU   8          2HB       LEU   8 -16.120  -9.118   6.540
   57   2HB   LEU   8          1HB       LEU   8 -16.781  -9.331   4.926
   58    HG   LEU   8           HG       LEU   8 -14.938 -10.676   4.236
   59   1HD1  LEU   8          1HD1      LEU   8 -13.633  -9.207   6.322
   60   2HD1  LEU   8          3HD1      LEU   8 -13.375 -10.931   6.591
   61   3HD1  LEU   8          2HD1      LEU   8 -12.904 -10.197   5.058
   62   1HD2  LEU   8          2HD2      LEU   8 -16.709 -11.597   5.940
   63   2HD2  LEU   8          1HD2      LEU   8 -15.291 -12.571   5.557
   64   3HD2  LEU   8          3HD2      LEU   8 -15.342 -11.637   7.053
   65    H    HIS   9           H        HIS   9 -16.022  -8.353   2.678
   66    HA   HIS   9           HA       HIS   9 -13.984  -9.751   1.403
   67   1HB   HIS   9          2HB       HIS   9 -15.971  -9.640   0.221
   68   2HB   HIS   9          1HB       HIS   9 -16.143  -7.894   0.424
   69    HD1  HIS   9          1HD       HIS   9 -15.937  -6.989  -1.962
   70    HD2  HIS   9          2HD       HIS   9 -13.162  -9.904  -1.030
   71    HE1  HIS   9          1HE       HIS   9 -14.378  -7.126  -3.961
   72    H    ASP  10           H        ASP  10 -14.477  -6.215   1.377
   73    HA   ASP  10           HA       ASP  10 -13.048  -4.559   0.492
   74   1HB   ASP  10          2HB       ASP  10 -12.773  -4.561   2.836
   75   2HB   ASP  10          1HB       ASP  10 -11.769  -6.006   2.770
   76    H    LYS  11           H        LYS  11 -10.215  -6.315   1.446
   77    HA   LYS  11           HA       LYS  11  -8.284  -6.670   0.112
   78   1HB   LYS  11          2HB       LYS  11 -10.191  -8.691   0.032
   79   2HB   LYS  11          1HB       LYS  11  -9.717  -8.486  -1.660
   80   1HG   LYS  11          2HG       LYS  11  -7.932  -9.091   0.709
   81   2HG   LYS  11          1HG       LYS  11  -8.177 -10.069  -0.738
   82   1HD   LYS  11          2HD       LYS  11  -7.240  -8.067  -2.052
   83   2HD   LYS  11          1HD       LYS  11  -6.700  -7.442  -0.492
   84   1HE   LYS  11          2HE       LYS  11  -5.995 -10.227  -0.703
   85   2HE   LYS  11          1HE       LYS  11  -5.398  -9.361  -2.119
   86   1HZ   LYS  11          2HZ       LYS  11  -4.970  -7.803   0.187
   87   2HZ   LYS  11          1HZ       LYS  11  -4.336  -9.357   0.449
   88   3HZ   LYS  11          3HZ       LYS  11  -3.821  -8.447  -0.886
   89    H    GLY  12           H        GLY  12  -9.889  -4.421  -0.891
   90   1HA   GLY  12          2HA       GLY  12  -8.946  -4.514  -3.709
   91   2HA   GLY  12          1HA       GLY  12 -10.622  -4.054  -3.403
   92    H    LYS  13           H        LYS  13 -10.019  -2.618  -0.928
   93    HA   LYS  13           HA       LYS  13  -9.582  -0.032  -1.902
   94   1HB   LYS  13          2HB       LYS  13  -8.948  -0.965   0.860
   95   2HB   LYS  13          1HB       LYS  13  -9.393   0.668   0.379
   96   1HG   LYS  13          2HG       LYS  13 -11.149  -1.812   0.377
   97   2HG   LYS  13          1HG       LYS  13 -11.377  -0.321   1.301
   98   1HD   LYS  13          2HD       LYS  13 -11.382  -0.421  -1.728
   99   2HD   LYS  13          1HD       LYS  13 -12.846  -0.508  -0.747
  100   1HE   LYS  13          2HE       LYS  13 -11.289   1.688   0.207
  101   2HE   LYS  13          1HE       LYS  13 -11.397   1.825  -1.549
  102   1HZ   LYS  13          3HZ       LYS  13 -13.869   1.066  -0.289
  103   2HZ   LYS  13          2HZ       LYS  13 -13.311   2.597   0.192
  104   3HZ   LYS  13          1HZ       LYS  13 -13.569   2.261  -1.453
  105    H    SER  14           H        SER  14  -7.595   1.131  -0.337
  106    HA   SER  14           HA       SER  14  -5.369   0.387  -1.988
  107   1HB   SER  14          2HB       SER  14  -5.015   2.268   0.287
  108   2HB   SER  14          1HB       SER  14  -4.312   2.292  -1.335
  109    HG   SER  14           HG       SER  14  -5.906   3.852  -1.250
  110    H    ILE  15           H        ILE  15  -5.710  -1.764  -0.962
  111    HA   ILE  15           HA       ILE  15  -3.633  -2.153   1.137
  112    HB   ILE  15           HB       ILE  15  -5.219  -4.462   0.955
  113   1HG1  ILE  15          2HG1      ILE  15  -7.427  -3.251   1.784
  114   2HG1  ILE  15          1HG1      ILE  15  -6.849  -1.961   0.758
  115   1HG2  ILE  15          1HG2      ILE  15  -4.038  -3.350   2.940
  116   2HG2  ILE  15          3HG2      ILE  15  -5.493  -2.368   3.106
  117   3HG2  ILE  15          2HG2      ILE  15  -5.589  -4.120   3.278
  118   1HD1  ILE  15          1HD1      ILE  15  -6.573  -4.518  -0.565
  119   2HD1  ILE  15          3HD1      ILE  15  -8.238  -4.264  -0.048
  120   3HD1  ILE  15          2HD1      ILE  15  -7.451  -3.086  -1.093
  121    H    GLN  16           H        GLN  16  -5.443  -3.398  -1.581
  122    HA   GLN  16           HA       GLN  16  -3.458  -5.247  -2.565
  123   1HB   GLN  16          2HB       GLN  16  -5.793  -3.729  -3.775
  124   2HB   GLN  16          1HB       GLN  16  -4.796  -4.837  -4.727
  125   1HG   GLN  16          2HG       GLN  16  -6.025  -5.754  -2.135
  126   2HG   GLN  16          1HG       GLN  16  -6.978  -5.764  -3.619
  127   1HE2  GLN  16          2HE2      GLN  16  -3.848  -8.391  -3.225
  128   2HE2  GLN  16          1HE2      GLN  16  -3.953  -7.052  -2.188
  129    H    ASP  17           H        ASP  17  -4.198  -1.857  -2.647
  130    HA   ASP  17           HA       ASP  17  -2.140  -1.281  -4.690
  131   1HB   ASP  17          2HB       ASP  17  -4.486   0.075  -3.644
  132   2HB   ASP  17          1HB       ASP  17  -3.074   1.129  -3.535
  133    H    LEU  18           H        LEU  18  -2.733  -0.914  -1.187
  134    HA   LEU  18           HA       LEU  18  -0.467   0.644  -0.501
  135   1HB   LEU  18          2HB       LEU  18  -2.015  -0.060   1.245
  136   2HB   LEU  18          1HB       LEU  18  -1.686  -1.760   0.912
  137    HG   LEU  18           HG       LEU  18   0.826  -0.931   1.391
  138   1HD1  LEU  18          2HD1      LEU  18  -0.744   1.302   2.118
  139   2HD1  LEU  18          1HD1      LEU  18  -0.232   0.553   3.631
  140   3HD1  LEU  18          3HD1      LEU  18   0.971   1.054   2.443
  141   1HD2  LEU  18          3HD2      LEU  18  -1.359  -2.025   3.081
  142   2HD2  LEU  18          2HD2      LEU  18   0.233  -2.696   2.728
  143   3HD2  LEU  18          1HD2      LEU  18   0.060  -1.431   3.945
  144    H    ARG  19           H        ARG  19  -0.872  -2.556  -1.694
  145    HA   ARG  19           HA       ARG  19   1.802  -3.562  -1.252
  146   1HB   ARG  19          2HB       ARG  19   0.218  -5.251  -1.649
  147   2HB   ARG  19          1HB       ARG  19  -0.648  -4.285  -2.833
  148   1HG   ARG  19          2HG       ARG  19   1.295  -4.561  -4.400
  149   2HG   ARG  19          1HG       ARG  19   2.000  -5.699  -3.246
  150   1HD   ARG  19          2HD       ARG  19  -0.404  -5.994  -4.993
  151   2HD   ARG  19          1HD       ARG  19   0.830  -7.183  -4.580
  152    HE   ARG  19           HE       ARG  19  -1.522  -6.481  -2.908
  153   1HH1  ARG  19          1HH1      ARG  19  -1.790  -9.143  -3.303
  154   2HH1  ARG  19          2HH1      ARG  19  -0.753  -9.960  -2.182
  155   1HH2  ARG  19          1HH2      ARG  19   1.188  -7.162  -1.529
  156   2HH2  ARG  19          2HH2      ARG  19   0.933  -8.839  -1.178
  157    H    ARG  20           H        ARG  20   0.064  -2.422  -4.168
  158    HA   ARG  20           HA       ARG  20   2.447  -2.233  -5.732
  159   1HB   ARG  20          2HB       ARG  20   1.099  -1.472  -7.436
  160   2HB   ARG  20          1HB       ARG  20  -0.094  -2.262  -6.408
  161   1HG   ARG  20          2HG       ARG  20  -1.213  -0.305  -6.368
  162   2HG   ARG  20          1HG       ARG  20   0.103   0.358  -5.402
  163   1HD   ARG  20          2HD       ARG  20   0.570   1.749  -7.114
  164   2HD   ARG  20          1HD       ARG  20   1.050   0.334  -8.054
  165    HE   ARG  20           HE       ARG  20  -1.490   0.225  -8.642
  166   1HH1  ARG  20          1HH1      ARG  20  -3.174   1.999  -8.570
  167   2HH1  ARG  20          2HH1      ARG  20  -2.650   3.502  -9.254
  168   1HH2  ARG  20          1HH2      ARG  20   0.706   2.635  -9.262
  169   2HH2  ARG  20          2HH2      ARG  20  -0.456   3.863  -9.644
  170    H    ARG  21           H        ARG  21   1.310  -0.382  -3.160
  171    HA   ARG  21           HA       ARG  21   2.550   2.141  -3.970
  172   1HB   ARG  21          2HB       ARG  21   1.088   1.085  -1.633
  173   2HB   ARG  21          1HB       ARG  21   2.438   2.131  -1.187
  174   1HG   ARG  21          2HG       ARG  21   0.672   3.654  -1.458
  175   2HG   ARG  21          1HG       ARG  21   1.496   3.731  -3.016
  176   1HD   ARG  21          2HD       ARG  21  -0.688   3.430  -3.734
  177   2HD   ARG  21          1HD       ARG  21  -0.169   1.748  -3.609
  178    HE   ARG  21           HE       ARG  21  -1.578   1.493  -1.711
  179   1HH1  ARG  21          1HH1      ARG  21  -1.497   3.204   0.295
  180   2HH1  ARG  21          2HH1      ARG  21  -2.642   4.474   0.019
  181   1HH2  ARG  21          1HH2      ARG  21  -2.958   3.807  -3.371
  182   2HH2  ARG  21          2HH2      ARG  21  -3.467   4.817  -2.059
  183    H    PHE  22           H        PHE  22   3.302  -0.818  -2.299
  184    HA   PHE  22           HA       PHE  22   6.060   0.025  -1.743
  185   1HB   PHE  22          2HB       PHE  22   4.678  -2.577  -1.246
  186   2HB   PHE  22          1HB       PHE  22   6.290  -2.154  -0.669
  187    HD1  PHE  22          1HD       PHE  22   3.324  -2.671   0.639
  188    HD2  PHE  22          2HD       PHE  22   5.962   0.648   0.004
  189    HE1  PHE  22          1HE       PHE  22   2.253  -1.459   2.503
  190    HE2  PHE  22          2HE       PHE  22   4.897   1.856   1.870
  191    HZ   PHE  22           HZ       PHE  22   3.052   0.793   3.088
  192    H    PHE  23           H        PHE  23   4.146  -1.694  -4.022
  193    HA   PHE  23           HA       PHE  23   5.369  -3.586  -5.394
  194   1HB   PHE  23          2HB       PHE  23   3.948  -1.288  -6.265
  195   2HB   PHE  23          1HB       PHE  23   5.291  -1.519  -7.368
  196    HD1  PHE  23          1HD       PHE  23   3.578  -4.200  -5.488
  197    HD2  PHE  23          2HD       PHE  23   4.101  -2.204  -9.249
  198    HE1  PHE  23          1HE       PHE  23   2.289  -5.986  -6.619
  199    HE2  PHE  23          2HE       PHE  23   2.822  -3.990 -10.379
  200    HZ   PHE  23           HZ       PHE  23   1.926  -5.847  -9.051
  201    H    LEU  24           H        LEU  24   6.537  -0.329  -6.222
  202    HA   LEU  24           HA       LEU  24   9.099  -1.387  -7.108
  203   1HB   LEU  24          2HB       LEU  24   8.376   1.511  -6.610
  204   2HB   LEU  24          1HB       LEU  24   9.620   0.884  -7.693
  205    HG   LEU  24           HG       LEU  24   6.822  -0.057  -8.125
  206   1HD1  LEU  24          3HD1      LEU  24   7.588   2.745  -8.119
  207   2HD1  LEU  24          2HD1      LEU  24   7.095   2.227  -9.731
  208   3HD1  LEU  24          1HD1      LEU  24   5.997   2.025  -8.367
  209   1HD2  LEU  24          1HD2      LEU  24   9.360   0.284  -9.617
  210   2HD2  LEU  24          3HD2      LEU  24   8.121  -0.962  -9.774
  211   3HD2  LEU  24          2HD2      LEU  24   7.893   0.612 -10.539
  212    H    HIS  25           H        HIS  25   7.862   0.249  -4.220
  213    HA   HIS  25           HA       HIS  25  10.456   0.771  -3.060
  214   1HB   HIS  25          2HB       HIS  25   7.734   1.214  -2.367
  215   2HB   HIS  25          1HB       HIS  25   8.486   0.347  -1.024
  216    HD1  HIS  25          1HD       HIS  25   8.053   3.674  -2.277
  217    HD2  HIS  25          2HD       HIS  25  11.164   1.667  -0.359
  218    HE1  HIS  25          1HE       HIS  25   9.584   5.459  -1.337
  219    H    HIS  26           H        HIS  26   8.704  -2.145  -3.484
  220    HA   HIS  26           HA       HIS  26   9.844  -3.472  -1.155
  221   1HB   HIS  26          2HB       HIS  26   7.578  -3.880  -2.587
  222   2HB   HIS  26          1HB       HIS  26   8.653  -5.117  -3.242
  223    HD1  HIS  26          1HD       HIS  26   8.783  -3.869   0.304
  224    HD2  HIS  26          2HD       HIS  26   7.659  -7.295  -1.781
  225    HE1  HIS  26          1HE       HIS  26   8.415  -5.661   2.036
  226    H    LEU  27           H        LEU  27   9.938  -4.269  -4.624
  227    HA   LEU  27           HA       LEU  27  12.211  -5.985  -4.321
  228   1HB   LEU  27          2HB       LEU  27  12.334  -5.563  -6.933
  229   2HB   LEU  27          1HB       LEU  27  11.045  -6.532  -6.228
  230    HG   LEU  27           HG       LEU  27   9.493  -4.713  -6.332
  231   1HD1  LEU  27          2HD1      LEU  27  11.991  -3.114  -6.718
  232   2HD1  LEU  27          1HD1      LEU  27  10.514  -2.532  -7.482
  233   3HD1  LEU  27          3HD1      LEU  27  10.573  -2.755  -5.733
  234   1HD2  LEU  27          3HD2      LEU  27  10.438  -5.921  -8.529
  235   2HD2  LEU  27          2HD2      LEU  27   9.218  -4.651  -8.622
  236   3HD2  LEU  27          1HD2      LEU  27  10.913  -4.267  -8.921
  237    H    ILE  28           H        ILE  28  12.180  -2.662  -4.055
  238    HA   ILE  28           HA       ILE  28  14.832  -2.333  -5.358
  239    HB   ILE  28           HB       ILE  28  14.577   0.066  -4.810
  240   1HG1  ILE  28          2HG1      ILE  28  11.975   0.439  -4.077
  241   2HG1  ILE  28          1HG1      ILE  28  12.360  -1.032  -3.185
  242   1HG2  ILE  28          2HG2      ILE  28  12.324  -1.345  -6.234
  243   2HG2  ILE  28          1HG2      ILE  28  12.418   0.414  -6.171
  244   3HG2  ILE  28          3HG2      ILE  28  13.710  -0.511  -6.935
  245   1HD1  ILE  28          1HD1      ILE  28  14.609   0.551  -2.807
  246   2HD1  ILE  28          3HD1      ILE  28  13.279   1.708  -2.734
  247   3HD1  ILE  28          2HD1      ILE  28  13.304   0.324  -1.642
  248    H    ALA  29           H        ALA  29  13.790  -3.493  -2.485
  249    HA   ALA  29           HA       ALA  29  16.266  -3.427  -1.196
  250   1HB   ALA  29          2HB       ALA  29  14.473  -1.113  -0.436
  251   2HB   ALA  29          1HB       ALA  29  15.764  -1.703   0.612
  252   3HB   ALA  29          3HB       ALA  29  16.150  -1.044  -0.978
  253    H    GLU  30           H        GLU  30  15.295  -5.554  -0.860
  254    HA   GLU  30           HA       GLU  30  13.493  -5.578   1.525
  255   1HB   GLU  30          2HB       GLU  30  12.441  -7.635   0.599
  256   2HB   GLU  30          1HB       GLU  30  12.174  -6.228  -0.437
  257   1HG   GLU  30          2HG       GLU  30  14.045  -6.920  -1.880
  258   2HG   GLU  30          1HG       GLU  30  14.338  -8.318  -0.838
  259    H    ILE  31           H        ILE  31  16.171  -5.617   1.892
  260    HA   ILE  31           HA       ILE  31  17.166  -8.367   1.901
  261    HB   ILE  31           HB       ILE  31  18.410  -6.126   3.464
  262   1HG1  ILE  31          2HG1      ILE  31  18.235  -6.444   0.469
  263   2HG1  ILE  31          1HG1      ILE  31  18.024  -4.983   1.434
  264   1HG2  ILE  31          1HG2      ILE  31  19.146  -8.683   3.170
  265   2HG2  ILE  31          3HG2      ILE  31  19.878  -8.036   1.702
  266   3HG2  ILE  31          2HG2      ILE  31  20.333  -7.384   3.276
  267   1HD1  ILE  31          1HD1      ILE  31  20.595  -5.767   2.073
  268   2HD1  ILE  31          3HD1      ILE  31  20.481  -6.173   0.361
  269   3HD1  ILE  31          2HD1      ILE  31  20.175  -4.520   0.897
  270    H    HIS  32           H        HIS  32  16.676  -9.775   3.442
  271    HA   HIS  32           HA       HIS  32  16.147  -8.818   6.178
  272   1HB   HIS  32          2HB       HIS  32  14.388 -10.751   6.225
  273   2HB   HIS  32          1HB       HIS  32  13.943  -9.212   5.481
  274    HD1  HIS  32          1HD       HIS  32  12.443  -9.994   3.598
  275    HD2  HIS  32          2HD       HIS  32  16.072 -12.045   3.683
  276    HE1  HIS  32          1HE       HIS  32  12.523 -11.398   1.491
  277    H    THR  33           H        THR  33  18.598  -9.739   5.639
  278    HA   THR  33           HA       THR  33  18.558 -12.562   6.636
  279    HB   THR  33           HB       THR  33  20.673 -12.923   5.437
  280    HG1  THR  33          1HG       THR  33  20.262 -10.326   4.386
  281   1HG2  THR  33          2HG2      THR  33  18.500 -11.719   3.702
  282   2HG2  THR  33          1HG2      THR  33  19.798 -12.764   3.123
  283   3HG2  THR  33          3HG2      THR  33  18.588 -13.396   4.240
  284    H    ALA  34           H        ALA  34  19.201 -12.559   8.732
  285    HA   ALA  34           HA       ALA  34  21.584 -10.949   9.469
  286   1HB   ALA  34          2HB       ALA  34  19.236  -9.848  10.031
  287   2HB   ALA  34          1HB       ALA  34  19.277 -10.983  11.379
  288   3HB   ALA  34          3HB       ALA  34  20.559  -9.785  11.196
   
  No H/Q in entry =         288