*HEADER   HORMONE                                 30-NOV-94   1MHJ    
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: INSULIN;                                         
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 ENGINEERED: YES                                            
*COMPND  5 MUTATION: DES-[PHE(B 25)];                                 
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI                        
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   A.M.M.JORGENSEN,H.B.OLSEN,J.J.LED,P.BALSCHMIDT              
*REVDAT  1   15-OCT-95 1MHJ    0                                      

REMARK  Constraints used in the structure calculation of the Des-[Phe(B25)]
REMARK  mutant of human insulin.
noe
assign (resid  1 AND name HA*  AND segi "acha" )(resid  2 AND name HG*  AND segi "acha" )  4.50  2.50  2.50 
assign (resid  1 AND name HA*  AND segi "acha" )(resid  2 AND name HG*  AND segi "acha" )  4.50  2.50  2.50 
assign (resid  1 AND name HA*  AND segi "acha" )(resid  5 AND name HB*  AND segi "acha" )  4.50  2.50  2.50 
assign (resid  1 AND name HA*  AND segi "acha" )(resid  4 AND name HG*  AND segi "acha" )  4.50  2.50  2.50 
assign (resid  2 AND name HG2* AND segi "acha" )(resid  2 AND name HB   AND segi "acha" )  0.70 -1.30  2.50
assign (resid  2 AND name HG2* AND segi "acha" )(resid  2 AND name HN   AND segi "acha" )  1.20 -0.80  2.50
assign (resid  2 AND name HG1* AND segi "acha" )(resid  2 AND name HA   AND segi "acha" )  0.90 -1.10  2.50
assign (resid  2 AND name HG1* AND segi "acha" )(resid  2 AND name HN   AND segi "acha" )  2.60  0.60  2.50
assign (resid  2 AND name HA   AND segi "acha" )(resid  3 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  2 AND name HB   AND segi "acha" )(resid  3 AND name HG*  AND segi "acha" )  4.80  2.80  2.50
assign (resid  2 AND name HN   AND segi "acha" )(resid  3 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  2 AND name HG2* AND segi "acha" )(resid  3 AND name HA   AND segi "acha" )  3.50  1.50  2.50
assign (resid  2 AND name HG2* AND segi "acha" )(resid  3 AND name HN   AND segi "acha" )  3.50  1.50  2.50
assign (resid  2 AND name HG2* AND segi "acha" )(resid  3 AND name HG*  AND segi "acha" )  5.80  3.80  2.50
assign (resid  2 AND name HG1* AND segi "acha" )(resid  3 AND name HN   AND segi "acha" )  3.50  1.50  2.50
assign (resid  2 AND name HA   AND segi "acha" )(resid  5 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  2 AND name HA   AND segi "acha" )(resid  5 AND name HB*  AND segi "acha" )  1.50 -0.50  2.50
assign (resid  2 AND name HD*  AND segi "acha" )(resid  6 AND name HB*  AND segi "acha" )  4.50  2.50  2.50
assign (resid  2 AND name HG1* AND segi "acha" )(resid  6 AND name HB*  AND segi "acha" )  4.50  2.50  2.50
assign (resid  2 AND name HA   AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  4.60  2.60  2.50
assign (resid  2 AND name HB   AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  4.60  2.60  2.50
assign (resid  2 AND name HD*  AND segi "acha" )(resid 19 AND name HD*  AND segi "acha" )  5.60  3.60  2.50
assign (resid  2 AND name HG2* AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  5.60  3.60  2.50
assign (resid  2 AND name HG1* AND segi "acha" )(resid 19 AND name HD*  AND segi "acha" )  5.60  3.60  2.50
assign (resid  2 AND name HG1* AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  5.60  3.60  2.50
assign (resid  3 AND name HA   AND segi "acha" )(resid  3 AND name HN   AND segi "acha" )  1.70 -0.30  2.50
assign (resid  3 AND name HB   AND segi "acha" )(resid  3 AND name HA   AND segi "acha" )  1.70 -0.30  2.50
assign (resid  3 AND name HB   AND segi "acha" )(resid  3 AND name HN   AND segi "acha" )  0.70 -1.30  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  3 AND name HA   AND segi "acha" )  1.00 -1.00  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  3 AND name HB   AND segi "acha" )  1.00 -1.00  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  3 AND name HN   AND segi "acha" )  1.90 -0.10  2.50
assign (resid  3 AND name HA   AND segi "acha" )(resid  4 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  3 AND name HB   AND segi "acha" )(resid  4 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  4 AND name HA   AND segi "acha" )  4.80  2.80  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  4 AND name HN   AND segi "acha" )  4.80  2.80  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  4 AND name HG*  AND segi "acha" )  5.80  3.80  2.50
assign (resid  3 AND name HA   AND segi "acha" )(resid  6 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  5 AND name HN   AND segi "acha" )  4.80  2.80  2.50
assign (resid  3 AND name HA   AND segi "acha" )(resid  5 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid 19 AND name HD*  AND segi "acha" )  1.50 -0.50  7.90
assign (resid  3 AND name HG*  AND segi "acha" )(resid  7 AND name HB*  AND segi "acha" )  1.50 -0.50  6.80
assign (resid  4 AND name HA   AND segi "acha" )(resid  4 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid  4 AND name HB*  AND segi "acha" )(resid  4 AND name HA   AND segi "acha" )  0.40 -1.60  2.50
assign (resid  4 AND name HB*  AND segi "acha" )(resid  4 AND name HN   AND segi "acha" )  1.30 -0.70  2.50
assign (resid  4 AND name HG*  AND segi "acha" )(resid  4 AND name HN   AND segi "acha" )  2.60  0.60  2.50
assign (resid  4 AND name HN   AND segi "acha" )(resid  5 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  4 AND name HA   AND segi "acha" )(resid  7 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  4 AND name HA   AND segi "acha" )(resid 29 AND name HB   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  4 AND name HA   AND segi "acha" )(resid 29 AND name HG*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid  4 AND name HN   AND segi "acha" )(resid 29 AND name HA   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  4 AND name HN   AND segi "acha" )(resid 29 AND name HB   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  4 AND name HN   AND segi "acha" )(resid 29 AND name HG*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid  4 AND name HB*  AND segi "acha" )(resid 29 AND name HG*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid  5 AND name HA   AND segi "acha" )(resid  5 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid  5 AND name HA   AND segi "acha" )(resid  5 AND name NE2  AND segi "acha" )  0.70 -1.30  2.50
assign (resid  5 AND name HB*  AND segi "acha" )(resid  5 AND name HA   AND segi "acha" )  0.40 -1.60  2.50
assign (resid  5 AND name HB*  AND segi "acha" )(resid  5 AND name HN   AND segi "acha" )  1.30 -0.70  2.50
assign (resid  5 AND name HG*  AND segi "acha" )(resid  5 AND name HA   AND segi "acha" )  0.90 -1.10  2.50
assign (resid  5 AND name HG*  AND segi "acha" )(resid  5 AND name HN   AND segi "acha" )  2.60  0.60  2.50
assign (resid  5 AND name HG*  AND segi "acha" )(resid  5 AND name NE2  AND segi "acha" )  2.40  0.40  2.50
assign (resid  5 AND name NE2  AND segi "acha" )(resid 19 AND name HD*  And segi "acha" )  3.00  1.00  4.10
assign (resid  5 AND name HB*  AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  3.00  1.00  5.30
assign (resid  6 AND name HA   AND segi "acha" )(resid  6 AND name HN   AND segi "acha" )  0.70 -1.30  2.50
assign (resid  6 AND name HB*  AND segi "acha" )(resid  6 AND name HA   AND segi "acha" )  0.40 -1.60  2.50
assign (resid  6 AND name HB*  AND segi "acha" )(resid  6 AND name HN   AND segi "acha" )  1.30 -0.70  2.50
assign (resid  6 AND name HA   AND segi "acha" )(resid 11 AND name HB*  AND segi "acha" )  3.50  1.50  2.50
assign (resid  6 AND name HB*  AND segi "acha" )(resid 11 AND name HB*  AND segi "acha" )  4.50  2.50  2.50
assign (resid  6 AND name HB*  AND segi "acha" )(resid 15 AND name NE2  AND segi "acha" )  4.50  2.50  2.50
assign (resid  6 AND name HA   AND segi "acha" )(resid  5 AND name HB*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid  6 AND name HA   AND segi "acha" )(resid  6 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  6 AND name HB*  AND segi "acha" )(resid  6 AND name HD*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid  6 AND name HB*  AND segi "acha" )(resid  7 AND name HA   AND segi "bcha" )  3.50  1.50  2.50
assign (resid  7 AND name HA   AND segi "acha" )(resid  7 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid  7 AND name HB*  AND segi "acha" )(resid  7 AND name HA   AND segi "acha" )  0.40 -1.60  2.50
assign (resid  7 AND name HB*  AND segi "acha" )(resid  7 AND name HN   AND segi "acha" )  1.30 -0.70  2.50
assign (resid  7 AND name HA   AND segi "acha" )(resid  8 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  7 AND name HB*  AND segi "acha" )(resid  8 AND name HN   AND segi "acha" )  2.50  0.50  2.50
assign (resid  7 AND name HB*  AND segi "acha" )(resid  6 AND name HB*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid  7 AND name HB*  AND segi "acha" )(resid  6 AND name HD*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid  7 AND name HB*  AND segi "acha" )(resid 11 AND name HB*  AND segi "bcha" )  5.80  3.80  0.20
assign (resid  7 AND name HA   AND segi "acha" )(resid 11 AND name HD*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid  8 AND name HG*  AND segi "acha" )(resid  8 AND name HB   AND segi "acha" )  0.90 -1.10  2.50
assign (resid  8 AND name HA   AND segi "acha" )(resid  9 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  8 AND name HB   AND segi "acha" )(resid  9 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  8 AND name HB   AND segi "acha" )(resid  9 AND name HB*  AND segi "acha" )  3.50  1.50  2.50
assign (resid  8 AND name HG*  AND segi "acha" )(resid  9 AND name HN   AND segi "acha" )  2.50  0.50  3.50
assign (resid  8 AND name HG*  AND segi "acha" )(resid 10 AND name HD*  AND segi "acha" )  2.50  0.50  4.50
assign (resid  8 AND name HN   AND segi "acha" )(resid  5 AND name HB*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid  8 AND name HG*  AND segi "acha" )(resid  5 AND name HE1  AND segi "bcha" )  3.50  1.50  2.50
assign (resid  9 AND name HA   AND segi "acha" )(resid  9 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid  9 AND name HB*  AND segi "acha" )(resid  9 AND name HA   AND segi "acha" )  0.40 -1.60  2.50
assign (resid  9 AND name HB*  AND segi "acha" )(resid  9 AND name HN   AND segi "acha" )  0.80 -1.20  2.50
assign (resid  9 AND name HB*  AND segi "acha" )(resid 10 AND name HA   AND segi "acha" )  3.50  1.50  2.50
assign (resid  9 AND name HB*  AND segi "acha" )(resid 10 AND name HG*  AND segi "acha" )  3.50  1.50  2.50
assign (resid  9 AND name HA   AND segi "acha" )(resid  5 AND name HE1  AND segi "bcha" )  2.50  0.50  2.50
assign (resid  9 AND name HB*  AND segi "acha" )(resid  5 AND name HE1  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 10 AND name HB   AND segi "acha" )(resid 10 AND name HA   AND segi "acha" )  0.20 -1.80  2.50
assign (resid 10 AND name HB   AND segi "acha" )(resid 10 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid 10 AND name HA   AND segi "acha" )(resid 10 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid 10 AND name HD*  AND segi "acha" )(resid 10 AND name HA   AND segi "acha" )  1.20 -0.80  2.50
assign (resid 10 AND name HD*  AND segi "acha" )(resid 10 AND name HN   AND segi "acha" )  1.20 -0.80  2.50
assign (resid 10 AND name HD*  AND segi "acha" )(resid 10 AND name HB   AND segi "acha" )  0.90 -1.10  2.50
assign (resid 10 AND name HD*  AND segi "acha" )(resid 10 AND name HG*  AND segi "acha" )  1.90 -0.10  2.50
assign (resid 10 AND name HG2* AND segi "acha" )(resid 10 AND name HA   AND segi "acha" )  0.90 -1.10  2.50
assign (resid 10 AND name HG2* AND segi "acha" )(resid 10 AND name HB   AND segi "acha" )  0.90 -1.10  2.50
assign (resid 10 AND name HA   AND segi "acha" )(resid 11 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 10 AND name HG2* AND segi "acha" )(resid 11 AND name HA   AND segi "acha" )  3.50  1.50  2.50
assign (resid 10 AND name HG2* AND segi "acha" )(resid 11 AND name HN   AND segi "acha" )  3.50  1.50  2.50
assign (resid 10 AND name HG1* AND segi "acha" )(resid 11 AND name HB*  AND segi "acha" )  4.50  2.50  2.50
assign (resid 10 AND name HD*  AND segi "acha" )(resid  3 AND name HB*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid 10 AND name HG2* AND segi "acha" )(resid  3 AND name HA   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 10 AND name HG2* AND segi "acha" )(resid  3 AND name HB*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid 10 AND name HD*  AND segi "acha" )(resid  4 AND name HB*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid 10 AND name HB   AND segi "acha" )(resid  5 AND name HE1  AND segi "bcha" )  2.50  0.50  2.50
assign (resid 10 AND name HD*  AND segi "acha" )(resid  5 AND name HA   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 10 AND name HD*  AND segi "acha" )(resid  5 AND name HD2  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 10 AND name HD*  AND segi "acha" )(resid  5 AND name HE1  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 10 AND name HG2* AND segi "acha" )(resid  5 AND name HE1  AND segi "bcha" )  3.50  1.50  2.50 
assign (resid 10 AND name HG1* AND segi "acha" )(resid  5 AND name HA   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 11 AND name HA   AND segi "acha" )(resid 11 AND name HN   AND segi "acha" )  1.70 -0.30  2.50
assign (resid 11 AND name HB*  AND segi "acha" )(resid 11 AND name HA   AND segi "acha" )  0.90 -1.10  2.50
assign (resid 11 AND name HA   AND segi "acha" )(resid 15 AND name HB*  AND segi "acha" )  3.50  1.50  2.50
assign (resid 11 AND name HB*  AND segi "acha" )(resid 15 AND name HB*  AND segi "acha" )  4.50  2.50  2.50
assign (resid 11 AND name HB*  AND segi "acha" )(resid  6 AND name HB*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid 12 AND name HA   AND segi "acha" )(resid 12 AND name HB*  AND segi "acha" )  0.40 -1.60  2.50
assign (resid 12 AND name HA   AND segi "acha" )(resid 13 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 12 AND name HN   AND segi "acha" )(resid 13 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 12 AND name HB*  AND segi "acha" )(resid 13 AND name HA   AND segi "acha" )  3.50  1.50  2.50
assign (resid 12 AND name HB*  AND segi "acha" )(resid 13 AND name HN   AND segi "acha" )  2.50  0.50  2.50
assign (resid 12 AND name HB*  AND segi "acha" )(resid 14 AND name HN   AND segi "acha" )  2.50  0.50  2.50
assign (resid 12 AND name HB*  AND segi "acha" )(resid 14 AND name HE*  AND segi "acha" )  2.50  0.50  5.60
assign (resid 12 AND name HA   AND segi "acha" )(resid 15 AND name NE2  AND segi "acha" )  3.50  1.50  2.50
assign (resid 13 AND name HA   AND segi "acha" )(resid 13 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid 13 AND name HB*  AND segi "acha" )(resid 13 AND name HA   AND segi "acha" )  0.40 -1.60  2.50
assign (resid 13 AND name HB*  AND segi "acha" )(resid 13 AND name HG   AND segi "acha" )  0.40 -1.60  2.50
assign (resid 13 AND name HB*  AND segi "acha" )(resid 13 AND name HN   AND segi "acha" )  0.80 -1.20  2.50
assign (resid 13 AND name HN   AND segi "acha" )(resid 14 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 13 AND name HB*  AND segi "acha" )(resid 14 AND name HA   AND segi "acha" )  3.50  1.50  2.50
assign (resid 13 AND name HB*  AND segi "acha" )(resid 14 AND name HN   AND segi "acha" )  2.50  0.50  2.50
assign (resid 13 AND name HN   AND segi "acha" )(resid 15 AND name HG*  AND segi "acha" )  4.80  2.80  2.50
assign (resid 13 AND name HA   AND segi "acha" )(resid 16 AND name HG   AND segi "acha" )  2.50  0.50  2.50
assign (resid 13 AND name HA   AND segi "acha" )(resid 16 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 13 AND name HA   AND segi "acha" )(resid 16 AND name HB*  AND segi "acha" )  3.50  1.50  2.50
assign (resid 13 AND name HA   AND segi "acha" )(resid 16 AND name HD*  AND segi "acha" )  4.80  2.80  2.50
assign (resid 13 AND name HN   AND segi "acha" )(resid 16 AND name HD*  AND segi "acha" )  4.80  2.80  2.50
assign (resid 13 AND name HN   AND segi "acha" )(resid 16 AND name HN   AND segi "acha" )  4.80  2.80  0.2
assign (resid 13 AND name HG   AND segi "acha" )(resid  1 AND name HB*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid  1 AND name HE*  AND segi "bcha" )  6.90  4.90  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid  1 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid  1 AND name HB*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 14 AND name HA   AND segi "acha" )(resid 14 AND name HD*  AND segi "acha" )  1.40 -0.60  2.50
assign (resid 14 AND name HA   AND segi "acha" )(resid 14 AND name HN   AND segi "acha" )  0.70 -1.30  2.50
assign (resid 14 AND name HB*  AND segi "acha" )(resid 14 AND name HD*  AND segi "acha" )  1.40 -0.60  2.50
assign (resid 14 AND name HB*  AND segi "acha" )(resid 14 AND name HE*  AND segi "acha" )  2.90  0.90  2.50
assign (resid 14 AND name HB*  AND segi "acha" )(resid 14 AND name HA   AND segi "acha" )  0.40 -1.60  2.50
assign (resid 14 AND name HB*  AND segi "acha" )(resid 14 AND name HN   AND segi "acha" )  0.80 -1.20  2.50
assign (resid 14 AND name HA   AND segi "acha" )(resid 15 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 14 AND name HN   AND segi "acha" )(resid 15 AND name HB*  AND segi "acha" )  2.50  0.50  2.50
assign (resid 14 AND name HB*  AND segi "acha" )(resid 15 AND name HN   AND segi "acha" )  2.50  0.50  2.50
assign (resid 14 AND name HD*  AND segi "acha" )(resid 17 AND name HG*  AND segi "acha" )  4.60  2.60  2.50
assign (resid 14 AND name HD*  AND segi "acha" )(resid 17 AND name HN   AND segi "acha" )  4.60  2.60  2.50
assign (resid 14 AND name HE*  AND segi "acha" )(resid 17 AND name HB*  AND segi "acha" )  5.60  3.60  2.50
assign (resid 14 AND name HA   AND segi "acha" )(resid 17 AND name HB*  AND segi "acha" )  3.50  1.50  2.50
assign (resid 14 AND name HA   AND segi "acha" )(resid 17 AND name HG*  AND segi "acha" )  3.50  1.50  2.50
assign (resid 14 AND name HB*  AND segi "acha" )(resid 17 AND name HG*  AND segi "acha" )  4.50  2.50  2.50
assign (resid 14 AND name HA   AND segi "acha" )(resid 18 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 15 AND name HA   AND segi "acha" )(resid 15 AND name HN   AND segi "acha" )  0.70 -1.30  2.50
assign (resid 15 AND name HA   AND segi "acha" )(resid 15 AND name NE2  AND segi "acha" )  1.70 -0.30  2.50
assign (resid 15 AND name HB*  AND segi "acha" )(resid 15 AND name HA   AND segi "acha" )  0.40 -1.60  2.50
assign (resid 15 AND name HB*  AND segi "acha" )(resid 15 AND name HN   AND segi "acha" )  2.30  0.30  2.50
assign (resid 15 AND name HB*  AND segi "acha" )(resid 15 AND name NE2  AND segi "acha" )  4.50  2.50  2.50
assign (resid 15 AND name HB*  AND segi "acha" )(resid 15 AND name HG*  AND segi "acha" )  1.10 -0.90  2.50
assign (resid 15 AND name HG*  AND segi "acha" )(resid 15 AND name HA   AND segi "acha" )  0.90 -1.10  2.50
assign (resid 15 AND name HG*  AND segi "acha" )(resid 15 AND name HN   AND segi "acha" )  2.60  0.60  2.50
assign (resid 15 AND name HG*  AND segi "acha" )(resid 15 AND name NE2  AND segi "acha" )  4.50  2.50  2.50
assign (resid 15 AND name HA   AND segi "acha" )(resid 16 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 15 AND name HN   AND segi "acha" )(resid 16 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 15 AND name HB*  AND segi "acha" )(resid 16 AND name HN   AND segi "acha" )  2.50  0.50  2.50
assign (resid 15 AND name HA   AND segi "acha" )(resid 18 AND name HB*  AND segi "acha" )  3.50  1.50  2.50
assign (resid 15 AND name HA   AND segi "acha" )(resid 19 AND name HB*  AND segi "acha" )  3.50  1.50  2.50
assign (resid 15 AND name NE2  AND segi "acha" )(resid 19 AND name HB*  AND segi "acha" )  4.50  2.50  2.50
assign (resid 15 AND name HB*  AND segi "acha" )(resid 19 AND name HD*  AND segi "acha" )  5.60  3.60  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 16 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid 16 AND name HG   AND segi "acha" )(resid 16 AND name HA   AND segi "acha" )  0.20 -1.80  2.50
assign (resid 16 AND name HG   AND segi "acha" )(resid 16 AND name HN   AND segi "acha" )  0.70 -1.30  2.50  
assign (resid 16 AND name HB*  AND segi "acha" )(resid 16 AND name HN   AND segi "acha" )  1.30 -0.70  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 16 AND name HA   AND segi "acha" )  1.90 -0.10  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 16 AND name HG   AND segi "acha" )  1.90 -0.10  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 16 AND name HN   AND segi "acha" )  4.00  2.00  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 16 AND name HB*  AND segi "acha" )  3.60  1.60  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 17 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 16 AND name HN   AND segi "acha" )(resid 17 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 16 AND name HB*  AND segi "acha" )(resid 17 AND name HN   AND segi "acha" )  2.50  0.50  2.50
assign (resid 16 AND name HB*  AND segi "acha" )(resid 17 AND name HG*  AND segi "acha" )  4.50  2.50  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 17 AND name HN   AND segi "acha" )  4.80  2.80  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 17 AND name HG*  AND segi "acha" )  5.80  3.80  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 19 AND name HD*  AND segi "acha" )  4.60  2.60  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  4.60  2.60  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 19 AND name HB*  AND segi "acha" )  3.50  1.50  2.50
assign (resid 16 AND name HB*  AND segi "acha" )(resid 19 AND name HD*  AND segi "acha" )  5.60  3.60  2.50
assign (resid 16 AND name HB*  AND segi "acha" )(resid 19 AND name HB*  AND segi "acha" )  4.50  2.50  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 16 AND name HG   AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 16 AND name HN   AND segi "acha" )(resid 15 AND name HG   AND segi "bcha" )  2.50  0.50  2.50 
assign (resid 16 AND name HN   AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 16 AND name HB*  AND segi "acha" )(resid 15 AND name HB*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid 16 AND name HB*  AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 16 AND name HB*  AND segi "acha" )(resid 18 AND name HA   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 16 AND name HB*  AND segi "acha" )(resid 18 AND name HB   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 16 AND name HB*  AND segi "acha" )(resid 18 AND name HG*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 18 AND name HG*  AND segi "bcha" )  7.10  5.10  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 18 AND name HB   AND segi "bcha" )  4.80  2.80  2.50
assign (resid 17 AND name HA   AND segi "acha" )(resid 17 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid 17 AND name HB*  AND segi "acha" )(resid 17 AND name HN   AND segi "acha" )  1.30 -0.70  2.50
assign (resid 17 AND name HG*  AND segi "acha" )(resid 17 AND name HN   AND segi "acha" )  1.60 -0.40  2.50
assign (resid 17 AND name HN   AND segi "acha" )(resid 18 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 17 AND name HB*  AND segi "acha" )(resid 18 AND name HN   AND segi "acha" )  2.50  0.50  2.50
assign (resid 17 AND name HA   AND segi "acha" )(resid 20 AND name HB*  AND segi "acha" )  3.50  1.50  2.50
assign (resid 17 AND name HA   AND segi "acha" )(resid 20 AND name HN  AND segi "acha" )  3.50  1.50  0.50
assign (resid 17 AND name HA   AND segi "acha" )(resid 18 AND name HG*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 17 AND name HN   AND segi "acha" )(resid 18 AND name HG*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 17 AND name HG*  AND segi "acha" )(resid 18 AND name HG*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 17 AND name HA   AND segi "acha" )(resid 19 AND name HB*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 18 AND name HA   AND segi "acha" )(resid 18 AND name HN   AND segi "acha" )  1.70 -0.30  2.50
assign (resid 18 AND name HB*  AND segi "acha" )(resid 18 AND name HA   AND segi "acha" )  0.40 -1.60  2.50
assign (resid 18 AND name HB*  AND segi "acha" )(resid 18 AND name HN   AND segi "acha" )  0.80 -1.20  2.50
assign (resid 18 AND name HB*  AND segi "acha" )(resid 18 AND name ND2  AND segi "acha" )  1.90 -0.10  2.50
assign (resid 18 AND name HN   AND segi "acha" )(resid 19 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 18 AND name HB*  AND segi "acha" )(resid 19 AND name HD*  AND segi "acha" )  5.60  3.60  2.50
assign (resid 18 AND name HB*  AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  5.60  3.60  2.50
assign (resid 18 AND name HB*  AND segi "acha" )(resid 19 AND name HN   AND segi "acha" )  2.50  0.50  2.50
assign (resid 19 AND name HD*  AND segi "acha" )(resid 19 AND name HN   AND segi "acha" )  3.60  1.60  2.50
assign (resid 19 AND name HA   AND segi "acha" )(resid 19 AND name HD*  AND segi "acha" )  1.70 -0.30  2.50
assign (resid 19 AND name HA   AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  2.70  0.70  2.50
assign (resid 19 AND name HA   AND segi "acha" )(resid 19 AND name HN   AND segi "acha" )  0.70 -1.30  2.50
assign (resid 19 AND name HB*  AND segi "acha" )(resid 19 AND name HD*  AND segi "acha" )  1.90 -0.10  2.50
assign (resid 19 AND name HB*  AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  2.90  0.90  2.50
assign (resid 19 AND name HB*  AND segi "acha" )(resid 19 AND name HA   AND segi "acha" )  0.40 -1.60  2.50
assign (resid 19 AND name HB*  AND segi "acha" )(resid 19 AND name HN   AND segi "acha" )  2.30  0.30  2.50
assign (resid 19 AND name HA   AND segi "acha" )(resid 21 AND name ND2  AND segi "acha" )  3.50  1.50  2.50
assign (resid 19 AND name HN   AND segi "acha" )(resid 21 AND name ND2  AND segi "acha" )  3.50  1.50  2.50
assign (resid 19 AND name HD*  AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  6.90  4.90  2.50
assign (resid 19 AND name HA   AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 19 AND name HN   AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 19 AND name HB*  AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 20 AND name HB*  AND segi "acha" )(resid 20 AND name HA   AND segi "acha" )  0.40 -1.60  2.50
assign (resid 20 AND name HA   AND segi "acha" )(resid 21 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 20 AND name HA   AND segi "acha" )(resid 21 AND name ND2  AND segi "acha" )  3.50  1.50  2.50
assign (resid 20 AND name HB*  AND segi "acha" )(resid 21 AND name ND2  AND segi "acha" )  4.50  2.50  2.50
assign (resid 20 AND name HA   AND segi "acha" )(resid 24 AND name HD*  AND segi "bcha" )  4.60  2.60  2.50 
assign (resid 21 AND name HA   AND segi "acha" )(resid 21 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid 21 AND name HA   AND segi "acha" )(resid 21 AND name ND2  AND segi "acha" )  1.70 -0.30  2.50
assign (resid 21 AND name ND2  AND segi "acha" )(resid 21 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 21 AND name HB*  AND segi "acha" )(resid 21 AND name HA   AND segi "acha" )  0.40 -1.60  2.50
assign (resid 21 AND name HB*  AND segi "acha" )(resid 21 AND name HN   AND segi "acha" )  2.30  0.30  2.50
assign (resid 21 AND name HB*  AND segi "acha" )(resid 21 AND name ND2  AND segi "acha" )  2.30  0.30  2.50
assign (resid 21 AND name HA   AND segi "acha" )(resid 22 AND name NE   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 21 AND name HN   AND segi "acha" )(resid 22 AND name HD*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 21 AND name ND2  AND segi "acha" )(resid 22 AND name NE   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 21 AND name HB*  AND segi "acha" )(resid 22 AND name NE   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 21 AND name HB*  AND segi "acha" )(resid 22 AND name HB*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid 21 AND name HB*  AND segi "acha" )(resid 22 AND name HD*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid 21 AND name HA   AND segi "acha" )(resid 23 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50 
assign (resid 21 AND name HA   AND segi "acha" )(resid 23 AND name HA*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 21 AND name HN   AND segi "acha" )(resid 23 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50 
assign (resid 21 AND name HN   AND segi "acha" )(resid 23 AND name HA*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 21 AND name ND2  AND segi "acha" )(resid 23 AND name HA*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid 21 AND name HA   AND segi "acha" )(resid 24 AND name HE*  AND segi "bcha" )  4.60  2.60  2.50
assign (resid  1 AND name HA   AND segi "bcha" )(resid  1 AND name HD*  AND segi "bcha" )  1.70 -0.30  2.50
assign (resid  1 AND name HB*  AND segi "bcha" )(resid  1 AND name HD*  AND segi "bcha" )  1.40 -0.60  2.50
assign (resid  1 AND name HB*  AND segi "bcha" )(resid  1 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid  1 AND name HE*  AND segi "bcha" )(resid  2 AND name HA   AND segi "bcha" )  4.60  2.60  2.50
assign (resid  1 AND name HE*  AND segi "bcha" )(resid  2 AND name HB   AND segi "bcha" )  4.60  2.60  2.50
assign (resid  1 AND name HA   AND segi "bcha" )(resid  2 AND name HG*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid  1 AND name HB*  AND segi "bcha" )(resid  2 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  1 AND name HE*  AND segi "bcha" )(resid  3 AND name HB*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid  1 AND name HE*  AND segi "bcha" )(resid 18 AND name HG*  AND segi "bcha" )  5.60  3.60  3.80
assign (resid  2 AND name HA   AND segi "bcha" )(resid  2 AND name HN   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid  2 AND name HB   AND segi "bcha" )(resid  2 AND name HA   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid  2 AND name HB   AND segi "bcha" )(resid  2 AND name HN   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid  2 AND name HG*  AND segi "bcha" )(resid  2 AND name HA   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid  2 AND name HG*  AND segi "bcha" )(resid  2 AND name HB   AND segi "bcha" )  1.00 -1.00  2.50
assign (resid  2 AND name HG*  AND segi "bcha" )(resid  2 AND name HN   AND segi "bcha" )  2.40  0.40  2.50
assign (resid  2 AND name HA   AND segi "bcha" )(resid  3 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  2 AND name HB   AND segi "bcha" )(resid  3 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  2 AND name HN   AND segi "bcha" )(resid  3 AND name HA   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  2 AND name HG*  AND segi "bcha" )(resid  3 AND name HN   AND segi "bcha" )  4.80  2.80  2.50
assign (resid  2 AND name HG*  AND segi "bcha" )(resid  4 AND name HG*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid  3 AND name HA   AND segi "bcha" )(resid  3 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid  3 AND name HB*  AND segi "bcha" )(resid  3 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid  3 AND name HB*  AND segi "bcha" )(resid  3 AND name HN   AND segi "bcha" )  0.80 -1.20  2.50
assign (resid  3 AND name HB*  AND segi "bcha" )(resid  3 AND name ND2  AND segi "bcha" )  1.90 -0.10  2.50
assign (resid  3 AND name HA   AND segi "bcha" )(resid  4 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  3 AND name HA   AND segi "bcha" )(resid  4 AND name NE2  AND segi "bcha" )  3.50  1.50  2.50
assign (resid  3 AND name HB*  AND segi "bcha" )(resid  4 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  4 AND name HA   AND segi "bcha" )(resid  4 AND name HN   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid  4 AND name HB*  AND segi "bcha" )(resid  4 AND name HA   AND segi "bcha" )  0.90 -1.10  2.50
assign (resid  4 AND name HB*  AND segi "bcha" )(resid  4 AND name HN   AND segi "bcha" )  1.30 -0.70  2.50
assign (resid  4 AND name HB*  AND segi "bcha" )(resid  4 AND name NE2  AND segi "bcha" )  3.50  1.50  2.50
assign (resid  4 AND name HB*  AND segi "bcha" )(resid  4 AND name HG*  AND segi "bcha" )  1.10 -0.90  2.50
assign (resid  4 AND name HG*  AND segi "bcha" )(resid  4 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid  4 AND name HG*  AND segi "bcha" )(resid  4 AND name HN   AND segi "bcha" )  2.60  0.60  2.50
assign (resid  4 AND name HG*  AND segi "bcha" )(resid  4 AND name NE2  AND segi "bcha" )  2.40  0.40  2.50
assign (resid  4 AND name HA   AND segi "bcha" )(resid  5 AND name HD2  AND segi "bcha" )  2.50  0.50  2.50
assign (resid  4 AND name HA   AND segi "bcha" )(resid  5 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  4 AND name HN   AND segi "bcha" )(resid  5 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  4 AND name HB*  AND segi "bcha" )(resid  5 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  4 AND name HG*  AND segi "bcha" )(resid  5 AND name HN   AND segi "bcha" )  3.50  1.50  2.50
assign (resid  4 AND name HG*  AND segi "bcha" )(resid  6 AND name HD*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid  5 AND name HA   AND segi "bcha" )(resid  5 AND name HD2  AND segi "bcha" )  1.70 -0.30  2.50
assign (resid  5 AND name HA   AND segi "bcha" )(resid  5 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid  5 AND name HD2  AND segi "bcha" )(resid  5 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  5 AND name HB*  AND segi "bcha" )(resid  5 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid  5 AND name HB*  AND segi "bcha" )(resid  5 AND name HD2  AND segi "bcha" )  0.90 -1.10  2.50
assign (resid  5 AND name HB*  AND segi "bcha" )(resid  5 AND name HE1  AND segi "bcha" )  2.30  0.30  2.50
assign (resid  5 AND name HB*  AND segi "bcha" )(resid  5 AND name HN   AND segi "bcha" )  1.30 -0.70  2.50
assign (resid  5 AND name HA   AND segi "bcha" )(resid  6 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  5 AND name HB*  AND segi "bcha" )(resid  6 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  5 AND name HB*  AND segi "bcha" )(resid  7 AND name HN   AND segi "bcha" )  3.50  1.50  2.50
assign (resid  6 AND name HG   AND segi "bcha" )(resid  6 AND name HA   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid  6 AND name HG   AND segi "bcha" )(resid  6 AND name HN   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid  6 AND name HG   AND segi "bcha" )(resid  6 AND name HB*  AND segi "bcha" )  0.90 -1.10  2.50
assign (resid  6 AND name HB*  AND segi "bcha" )(resid  6 AND name HA   AND segi "bcha" )  0.90 -1.10  2.50
assign (resid  6 AND name HB*  AND segi "bcha" )(resid  6 AND name HN   AND segi "bcha" )  2.30  0.30  2.50
assign (resid  6 AND name HD*  AND segi "bcha" )(resid  6 AND name HA   AND segi "bcha" )  1.90 -0.10  2.50
assign (resid  6 AND name HD*  AND segi "bcha" )(resid  6 AND name HG   AND segi "bcha" )  1.90 -0.10  2.50
assign (resid  6 AND name HD*  AND segi "bcha" )(resid  6 AND name HB*  AND segi "bcha" )  2.10  0.10  2.50
assign (resid  6 AND name HA   AND segi "bcha" )(resid  7 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  6 AND name HD*  AND segi "bcha" )(resid  7 AND name HA   AND segi "bcha" )  4.80  2.80  2.50
assign (resid  6 AND name HB*  AND segi "bcha" )(resid 10 AND name HN   AND segi "bcha" )  3.50  1.50  2.50
assign (resid  6 AND name HD*  AND segi "bcha" )(resid 10 AND name HE1  AND segi "bcha" )  4.80  2.80  2.50
assign (resid  6 AND name HA   AND segi "bcha" )(resid 11 AND name HG   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  6 AND name HG   AND segi "bcha" )(resid 11 AND name HA   AND segi "bcha" )  3.50  1.50  2.50
assign (resid  6 AND name HG   AND segi "bcha" )(resid 11 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid  6 AND name HB*  AND segi "bcha" )(resid 11 AND name HA   AND segi "bcha" )  3.50  1.50  2.50
assign (resid  7 AND name HA   AND segi "bcha" )(resid  7 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid  7 AND name HB*  AND segi "bcha" )(resid  7 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid  7 AND name HB*  AND segi "bcha" )(resid  7 AND name HN   AND segi "bcha" )  1.30 -0.70  2.50
assign (resid  7 AND name HA   AND segi "bcha" )(resid  8 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  7 AND name HB*  AND segi "bcha" )(resid  8 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  7 AND name HA   AND segi "bcha" )(resid 11 AND name HG   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  7 AND name HA   AND segi "bcha" )(resid 11 AND name HB*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid  7 AND name HA   AND segi "bcha" )(resid 11 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid  7 AND name HN   AND segi "bcha" )(resid 11 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid  8 AND name HA*  AND segi "bcha" )(resid  8 AND name HN   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid  8 AND name HA*  AND segi "bcha" )(resid  9 AND name HN   AND segi "bcha" )  2.00  0.00  2.50
assign (resid  8 AND name HA*  AND segi "bcha" )(resid 10 AND name HB*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid  8 AND name HA*  AND segi "bcha" )(resid 11 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  9 AND name HA   AND segi "bcha" )(resid  9 AND name HN   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid  9 AND name HB*  AND segi "bcha" )(resid  9 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid  9 AND name HN   AND segi "bcha" )(resid 10 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  9 AND name HB*  AND segi "bcha" )(resid 10 AND name HD2  AND segi "bcha" )  3.50  1.50  2.50
assign (resid  9 AND name HB*  AND segi "bcha" )(resid 10 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  9 AND name HA   AND segi "bcha" )(resid 12 AND name HG*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid  9 AND name HB*  AND segi "bcha" )(resid 12 AND name HG*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 10 AND name HA   AND segi "bcha" )(resid 10 AND name HD2  AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 10 AND name HA   AND segi "bcha" )(resid 10 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 10 AND name HB*  AND segi "bcha" )(resid 10 AND name HD2  AND segi "bcha" )  1.90 -0.10  2.50
assign (resid 10 AND name HB*  AND segi "bcha" )(resid 10 AND name HN   AND segi "bcha" )  2.30  0.30  2.50
assign (resid 10 AND name HN   AND segi "bcha" )(resid 11 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 10 AND name HB*  AND segi "bcha" )(resid 11 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 10 AND name HB*  AND segi "bcha" )(resid 11 AND name HD*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 10 AND name HA   AND segi "bcha" )(resid 13 AND name HB*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 10 AND name HA   AND segi "bcha" )(resid 13 AND name HN   AND segi "bcha" )  3.50  1.50  1.50
assign (resid 10 AND name HD2  AND segi "bcha" )(resid 13 AND name HB*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 10 AND name HB*  AND segi "bcha" )(resid 13 AND name HB*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid 11 AND name HA   AND segi "bcha" )(resid 11 AND name HB*  AND segi "bcha" )  0.90 -1.10  2.50
assign (resid 11 AND name HA   AND segi "bcha" )(resid 11 AND name HD*  AND segi "bcha" )  1.90 -0.10  2.50
assign (resid 11 AND name HN   AND segi "bcha" )(resid 11 AND name HA   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 11 AND name HB*  AND segi "bcha" )(resid 11 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid 11 AND name HB*  AND segi "bcha" )(resid 11 AND name HD*  AND segi "bcha" )  2.10  0.10  2.50
assign (resid 11 AND name HA   AND segi "bcha" )(resid 12 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 11 AND name HG   AND segi "bcha" )(resid 12 AND name HA   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 11 AND name HG   AND segi "bcha" )(resid 12 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 11 AND name HB*  AND segi "bcha" )(resid 12 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 11 AND name HD*  AND segi "bcha" )(resid 12 AND name HA   AND segi "bcha" )  4.80  2.80  2.50
assign (resid 11 AND name HD*  AND segi "bcha" )(resid 12 AND name HB   AND segi "bcha" )  4.80  2.80  2.50
assign (resid 11 AND name HD*  AND segi "bcha" )(resid 12 AND name HN   AND segi "bcha" )  4.80  2.80  2.50
assign (resid 11 AND name HA   AND segi "bcha" )(resid 14 AND name HB*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 11 AND name HA   AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 11 AND name HA   AND segi "bcha" )(resid 15 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 11 AND name HG   AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 11 AND name HG   AND segi "bcha" )(resid 15 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 11 AND name HD*  AND segi "bcha" )(resid 25 AND name HD*  AND segi "bcha" )  6.90  4.90  2.50
assign (resid 11 AND name HG   AND segi "bcha" )(resid 27 AND name HG*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 11 AND name HD*  AND segi "bcha" )(resid 27 AND name HB*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 11 AND name HD*  AND segi "bcha" )(resid 27 AND name HG*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 12 AND name HB   AND segi "bcha" )(resid 12 AND name HA   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 12 AND name HB   AND segi "bcha" )(resid 12 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 12 AND name HA   AND segi "bcha" )  1.00 -1.00  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 12 AND name HB   AND segi "bcha" )  1.00 -1.00  2.50
assign (resid 12 AND name HB   AND segi "bcha" )(resid 13 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 12 AND name HN   AND segi "bcha" )(resid 13 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 13 AND name HN   AND segi "bcha" )  4.80  2.80  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 13 AND name HG*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 12 AND name HA   AND segi "bcha" )(resid 15 AND name HG   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 12 AND name HA   AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 12 AND name HA   AND segi "bcha" )(resid 15 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 12 AND name HB   AND segi "bcha" )(resid 15 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 15 AND name HD*  AND segi "bcha" )  7.10  5.10  2.50
assign (resid 12 AND name HB   AND segi "bcha" )(resid 16 AND name HE*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 16 AND name HD*  AND segi "bcha" )  6.90  4.90  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 16 AND name HE*  AND segi "bcha" )  6.90  4.90  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 16 AND name HB*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 12 AND name HA   AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  4.60  2.60  2.50
assign (resid 12 AND name HB   AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  4.60  2.60  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 24 AND name HD*  AND segi "bcha" )  6.90  4.90  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  6.90  4.90  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 26 AND name HA   AND segi "bcha" )  4.80  2.80  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 27 AND name HD*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 13 AND name HB*  AND segi "bcha" )(resid 13 AND name HN   AND segi "bcha" )  2.30  0.30  2.50
assign (resid 13 AND name HB*  AND segi "bcha" )(resid 13 AND name HG*  AND segi "bcha" )  1.10 -0.90  2.50
assign (resid 13 AND name HG*  AND segi "bcha" )(resid 13 AND name HA   AND segi "bcha" )  0.90 -1.10  2.50
assign (resid 13 AND name HG*  AND segi "bcha" )(resid 13 AND name HN   AND segi "bcha" )  1.60 -0.40  2.50
assign (resid 13 AND name HN   AND segi "bcha" )(resid 14 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 13 AND name HB*  AND segi "bcha" )(resid 14 AND name HA   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 13 AND name HB*  AND segi "bcha" )(resid 14 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 13 AND name HG*  AND segi "bcha" )(resid 14 AND name HA   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 13 AND name HB*  AND segi "bcha" )(resid 16 AND name HD*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 13 AND name HG*  AND segi "bcha" )(resid 16 AND name HD*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 13 AND name HG*  AND segi "bcha" )(resid 16 AND name HE*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 13 AND name HB*  AND segi "bcha" )(resid 17 AND name HD*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 13 AND name HG*  AND segi "bcha" )(resid 17 AND name HG   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 13 AND name HG*  AND segi "bcha" )(resid 17 AND name HD*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 14 AND name HA   AND segi "bcha" )(resid 14 AND name HN   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 14 AND name HB*  AND segi "bcha" )(resid 14 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid 14 AND name HB*  AND segi "bcha" )(resid 14 AND name HN   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid 14 AND name HA   AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 14 AND name HN   AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 14 AND name HB*  AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 14 AND name HA   AND segi "bcha" )(resid 16 AND name HB*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 14 AND name HA   AND segi "bcha" )(resid 17 AND name HD*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 14 AND name HB*  AND segi "bcha" )(resid 17 AND name HB*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid 14 AND name HB*  AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 14 AND name HB*  AND segi "bcha" )(resid 25 AND name HE*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 15 AND name HA   AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 15 AND name HG   AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 15 AND name HB*  AND segi "bcha" )(resid 15 AND name HA   AND segi "bcha" )  1.90 -0.10  2.50
assign (resid 15 AND name HB*  AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  2.30  0.30  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 15 AND name HA   AND segi "bcha" )  3.40  1.40  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 15 AND name HG   AND segi "bcha" )  1.90 -0.10  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  3.00  1.00  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 15 AND name HB*  AND segi "bcha" )  2.10  0.10  2.50
assign (resid 15 AND name HA   AND segi "bcha" )(resid 16 AND name HA   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 15 AND name HA   AND segi "bcha" )(resid 16 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 15 AND name HN   AND segi "bcha" )(resid 16 AND name HB*  AND segi "bcha" )  2.50  0.50  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 16 AND name HE*  AND segi "bcha" )  6.90  4.90  2.50
assign (resid 15 AND name HA   AND segi "bcha" )(resid 18 AND name HB   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 15 AND name HA   AND segi "bcha" )(resid 18 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 15 AND name HG   AND segi "bcha" )(resid 18 AND name HG*  AND segi "bcha" )  4.80  2.80  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 18 AND name HB   AND segi "bcha" )  4.80  2.80  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 18 AND name HN   AND segi "bcha" )  4.80  2.80  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 18 AND name HG*  AND segi "bcha" )  7.10  5.10  2.50
assign (resid 15 AND name HA   AND segi "bcha" )(resid 24 AND name HD*  AND segi "bcha" )  4.60  2.60  2.50 
assign (resid 15 AND name HA   AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  4.60  2.60  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 24 AND name HD*  AND segi "bcha" )  6.90  4.90  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  6.90  4.90  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 24 AND name HZ   AND segi "bcha" )  4.80  2.80  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 25 AND name HB*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 27 AND name HD*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 27 AND name HG*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 16 AND name HA   AND segi "bcha" )(resid 16 AND name HD*  AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 16 AND name HA   AND segi "bcha" )(resid 16 AND name HE*  AND segi "bcha" )  2.70  0.70  2.50
assign (resid 16 AND name HA   AND segi "bcha" )(resid 16 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 16 AND name HB*  AND segi "bcha" )(resid 16 AND name HD*  AND segi "bcha" )  1.40 -0.60  2.50
assign (resid 16 AND name HB*  AND segi "bcha" )(resid 16 AND name HE*  AND segi "bcha" )  2.90  0.90  2.50
assign (resid 16 AND name HB*  AND segi "bcha" )(resid 16 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid 16 AND name HB*  AND segi "bcha" )(resid 16 AND name HN   AND segi "bcha" )  0.80 -1.20  2.50
assign (resid 16 AND name HD*  AND segi "bcha" )(resid 17 AND name HA   AND segi "bcha" )  4.60  2.60  2.50
assign (resid 16 AND name HD*  AND segi "bcha" )(resid 17 AND name HG   AND segi "bcha" )  4.60  2.60  2.50
assign (resid 16 AND name HD*  AND segi "bcha" )(resid 17 AND name HD*  AND segi "bcha" )  6.90  4.90  2.50
assign (resid 16 AND name HE*  AND segi "bcha" )(resid 17 AND name HG   AND segi "bcha" )  4.60  2.60  2.50
assign (resid 16 AND name HE*  AND segi "bcha" )(resid 17 AND name HD*  AND segi "bcha" )  6.90  4.90  2.50
assign (resid 16 AND name HA   AND segi "bcha" )(resid 17 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 16 AND name HN   AND segi "bcha" )(resid 17 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 16 AND name HB*  AND segi "bcha" )(resid 17 AND name HG   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 16 AND name HB*  AND segi "bcha" )(resid 17 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 16 AND name HB*  AND segi "bcha" )(resid 17 AND name HD*  AND segi "bcha" )  5.80  3.80  2.50
assign (resid 16 AND name HA   AND segi "bcha" )(resid 19 AND name HB*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 16 AND name HB*  AND segi "bcha" )(resid 19 AND name HN   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 16 AND name HD*  AND segi "bcha" )(resid 20 AND name HA*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 16 AND name HE*  AND segi "bcha" )(resid 20 AND name HA*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 16 AND name HA   AND segi "bcha" )(resid 20 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 16 AND name HA   AND segi "bcha" )(resid 24 AND name HD*  AND segi "bcha" )  4.60  2.60  2.50
assign (resid 16 AND name HA   AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  4.60  2.60  2.50
assign (resid 16 AND name HB*  AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 17 AND name HA   AND segi "bcha" )(resid 17 AND name HN   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 17 AND name HG   AND segi "bcha" )(resid 17 AND name HA   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 17 AND name HG   AND segi "bcha" )(resid 17 AND name HN   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 17 AND name HB*  AND segi "bcha" )(resid 17 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid 17 AND name HB*  AND segi "bcha" )(resid 17 AND name HN   AND segi "bcha" )  1.32 -0.68  2.50
assign (resid 17 AND name HD*  AND segi "bcha" )(resid 17 AND name HA   AND segi "bcha" )  1.90 -0.10  2.50
assign (resid 17 AND name HD*  AND segi "bcha" )(resid 17 AND name HG   AND segi "bcha" )  1.90 -0.10  2.50
assign (resid 17 AND name HD*  AND segi "bcha" )(resid 17 AND name HN   AND segi "bcha" )  4.00  2.00  2.50
assign (resid 17 AND name HD*  AND segi "bcha" )(resid 17 AND name HB*  AND segi "bcha" )  1.30 -0.70  2.50
assign (resid 17 AND name HA   AND segi "bcha" )(resid 18 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 17 AND name HG   AND segi "bcha" )(resid 18 AND name HA   AND segi "bcha" )  2.50  0.50  2.50 
assign (resid 17 AND name HN   AND segi "bcha" )(resid 18 AND name HA   AND segi "bcha" )  1.50 -0.50  3.50 
assign (resid 17 AND name HN   AND segi "bcha" )(resid 18 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 17 AND name HB*  AND segi "bcha" )(resid 18 AND name HA   AND segi "bcha" )  3.50  1.50  2.50
assign (resid 17 AND name HB*  AND segi "bcha" )(resid 18 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 17 AND name HA   AND segi "bcha" )(resid 20 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 17 AND name HN   AND segi "bcha" )(resid 20 AND name HA*  AND segi "bcha" )  2.50  0.50  2.50
assign (resid 17 AND name HA   AND segi "bcha" )(resid 21 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50 
assign (resid 17 AND name HB*  AND segi "bcha" )(resid 21 AND name HB*  AND segi "bcha" )  4.50  2.50  2.50 
assign (resid 18 AND name HG*  AND segi "bcha" )(resid 18 AND name HA   AND segi "bcha" )  1.00 -1.00  2.50
assign (resid 18 AND name HG*  AND segi "bcha" )(resid 18 AND name HB   AND segi "bcha" )  1.00 -1.00  2.50
assign (resid 18 AND name HG*  AND segi "bcha" )(resid 18 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 18 AND name HA   AND segi "bcha" )(resid 19 AND name HA   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 18 AND name HA   AND segi "bcha" )(resid 19 AND name HB*  AND segi "bcha" )  2.50  0.50  3.50
assign (resid 18 AND name HA   AND segi "bcha" )(resid 19 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 18 AND name HB   AND segi "bcha" )(resid 19 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 18 AND name HB   AND segi "bcha" )(resid 19 AND name HB*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 18 AND name HN   AND segi "bcha" )(resid 19 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 18 AND name HG*  AND segi "bcha" )(resid 19 AND name HA   AND segi "bcha" )  4.80  2.80  2.50
assign (resid 18 AND name HG*  AND segi "bcha" )(resid 19 AND name HN   AND segi "bcha" )  4.80  2.80  2.50
assign (resid 19 AND name HA   AND segi "bcha" )(resid 19 AND name HN   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 19 AND name HB*  AND segi "bcha" )(resid 19 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid 19 AND name HB*  AND segi "bcha" )(resid 19 AND name HN   AND segi "bcha" )  2.30  0.30  2.50
assign (resid 19 AND name HA   AND segi "bcha" )(resid 20 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 19 AND name HN   AND segi "bcha" )(resid 20 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 19 AND name HB*  AND segi "bcha" )(resid 20 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 19 AND name HA   AND segi "bcha" )(resid 22 AND name HB*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 19 AND name HA   AND segi "bcha" )(resid 22 AND name HG*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 19 AND name HB*  AND segi "bcha" )(resid 24 AND name HD*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 20 AND name HA*  AND segi "bcha" )(resid 20 AND name HN   AND segi "bcha" )  0.90 -1.10  2.50
assign (resid 20 AND name HN   AND segi "bcha" )(resid 21 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 20 AND name HA*  AND segi "bcha" )(resid 21 AND name HN   AND segi "bcha" )  2.00  0.00  2.50
assign (resid 20 AND name HA*  AND segi "bcha" )(resid 23 AND name HN   AND segi "bcha" )  2.00  0.00  2.50
assign (resid 21 AND name HA   AND segi "bcha" )(resid 21 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 21 AND name HB*  AND segi "bcha" )(resid 21 AND name HN   AND segi "bcha" )  2.30  0.30  2.50
assign (resid 21 AND name HN   AND segi "bcha" )(resid 22 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 22 AND name HB*  AND segi "bcha" )(resid 22 AND name HD*  AND segi "bcha" )  2.80  0.80  2.50
assign (resid 22 AND name HD*  AND segi "bcha" )(resid 22 AND name NE   AND segi "bcha" )  1.10 -0.90  2.50
assign (resid 22 AND name HG*  AND segi "bcha" )(resid 22 AND name NE   AND segi "bcha" )  2.60  0.60  2.50
assign (resid 22 AND name HG*  AND segi "bcha" )(resid 22 AND name HB*  AND segi "bcha" )  2.60  0.60  2.50
assign (resid 22 AND name HG*  AND segi "bcha" )(resid 22 AND name HD*  AND segi "bcha" )  1.80 -0.20  2.50
assign (resid 22 AND name HG*  AND segi "bcha" )(resid 22 AND name HA   AND segi "bcha" )  1.80 -0.20  2.60
assign (resid 23 AND name HA*  AND segi "bcha" )(resid 23 AND name HN   AND segi "bcha" )  1.90 -0.10  2.50
assign (resid 23 AND name HN   AND segi "bcha" )(resid 24 AND name HA   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 23 AND name HA*  AND segi "bcha" )(resid 24 AND name HD*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 24 AND name HD*  AND segi "bcha" )(resid 24 AND name HN   AND segi "bcha" )  3.60  1.60  2.50
assign (resid 24 AND name HA   AND segi "bcha" )(resid 24 AND name HN   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 24 AND name HA   AND segi "bcha" )(resid 24 AND name HZ   AND segi "bcha" )  1.70 -0.30  3.30 
assign (resid 24 AND name HB*  AND segi "bcha" )(resid 24 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid 24 AND name HD*  AND segi "bcha" )(resid 25 AND name HA   AND segi "bcha" )  4.60  2.60  2.50
assign (resid 24 AND name HD*  AND segi "bcha" )(resid 25 AND name HB*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 24 AND name HA   AND segi "bcha" )(resid 25 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 24 AND name HB*  AND segi "bcha" )(resid 25 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 24 AND name HD*  AND segi "bcha" )(resid 26 AND name HA   AND segi "bcha" )  4.60  2.60  2.50
assign (resid 24 AND name HD*  AND segi "bcha" )(resid 26 AND name HG*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 24 AND name HE*  AND segi "bcha" )(resid 26 AND name HA   AND segi "bcha" )  4.60  2.60  2.50
assign (resid 24 AND name HE*  AND segi "bcha" )(resid 26 AND name HG*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 25 AND name HA   AND segi "bcha" )(resid 25 AND name HD*  AND segi "bcha" )  2.70  0.70  2.50
assign (resid 25 AND name HA   AND segi "bcha" )(resid 25 AND name HN   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 25 AND name HB*  AND segi "bcha" )(resid 25 AND name HD*  AND segi "bcha" )  1.40 -0.60  2.50
assign (resid 25 AND name HN   AND segi "bcha" )(resid 26 AND name HG*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 25 AND name HE*  AND segi "bcha" )(resid 27 AND name HD*  AND segi "bcha" )  5.60  3.60  2.50
assign (resid 26 AND name HB   AND segi "bcha" )(resid 26 AND name HA   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 26 AND name HG*  AND segi "bcha" )(resid 26 AND name HA   AND segi "bcha" )  0.90 -1.10  2.50
assign (resid 26 AND name HG*  AND segi "bcha" )(resid 26 AND name HB   AND segi "bcha" )  0.90 -1.10  2.50
assign (resid 26 AND name HA   AND segi "bcha" )(resid 27 AND name HD*  AND segi "bcha" )  3.50  1.50  1.50
assign (resid 26 AND name HB   AND segi "bcha" )(resid 27 AND name HD*  AND segi "bcha" )  3.50  1.50  2.50
assign (resid 26 AND name HG*  AND segi "bcha" )(resid 27 AND name HD*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid 26 AND name HG*  AND segi "bcha" )(resid 27 AND name HG*  AND segi "bcha" )  4.50  2.50  2.50
assign (resid 27 AND name HB*  AND segi "bcha" )(resid 27 AND name HA   AND segi "bcha" )  0.40 -1.60  2.50
assign (resid 27 AND name HB*  AND segi "bcha" )(resid 27 AND name HD*  AND segi "bcha" )  2.80  0.80  2.50
assign (resid 27 AND name HG*  AND segi "bcha" )(resid 27 AND name HB*  AND segi "bcha" )  1.10 -0.90  2.50
assign (resid 27 AND name HG*  AND segi "bcha" )(resid 27 AND name HD*  AND segi "bcha" )  3.30  1.30  2.50
assign (resid 27 AND name HB*  AND segi "bcha" )(resid 28 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 28 AND name HA   AND segi "bcha" )(resid 28 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 28 AND name HB*  AND segi "bcha" )(resid 28 AND name HE*  AND segi "bcha" )  2.80  0.80  2.50
assign (resid 28 AND name HD*  AND segi "bcha" )(resid 28 AND name HA   AND segi "bcha" )  1.60 -0.40  2.50
assign (resid 28 AND name HD*  AND segi "bcha" )(resid 28 AND name HN   AND segi "bcha" )  1.60 -0.40  2.50
assign (resid 28 AND name HG*  AND segi "bcha" )(resid 28 AND name HA   AND segi "bcha" )  1.40 -0.60  2.50
assign (resid 28 AND name HG*  AND segi "bcha" )(resid 28 AND name HD*  AND segi "bcha" )  3.30  1.30  2.50
assign (resid 28 AND name HN   AND segi "bcha" )(resid 29 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 29 AND name HA   AND segi "bcha" )(resid 29 AND name HB   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 29 AND name HA   AND segi "bcha" )(resid 29 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 29 AND name HG*  AND segi "bcha" )(resid 29 AND name HA   AND segi "bcha" )  0.90 -1.10  2.50
assign (resid 29 AND name HG*  AND segi "bcha" )(resid 29 AND name HB   AND segi "bcha" )  0.90 -1.10  2.50
assign (resid  1 AND name O    AND segi "acha" )(resid  5 AND name HN   and segi "acha")   1.90  0.1   0.1
assign (resid  1 AND name O    AND segi "acha" )(resid  5 AND name N    and segi "acha")  2.85  0.15  0.15
assign (resid  2 AND name O    AND segi "acha" )(resid  6 AND name HN   and segi "acha")   1.90  0.1   0.1
assign (resid  2 AND name O    AND segi "acha" )(resid  6 AND name N    and segi "acha")  2.85  0.15  0.15
assign (resid  3 AND name O    AND segi "acha" )(resid  7 AND name HN   and segi "acha")   1.90  0.1   0.1
assign (resid  3 AND name O    AND segi "acha" )(resid  7 AND name N    and segi "acha")  2.85  0.15  0.15
assign (resid  4 AND name O    AND segi "acha" )(resid  8 AND name HN   and segi "acha")   1.90  0.1   0.1
assign (resid  4 AND name O    AND segi "acha" )(resid  8 AND name N    and segi "acha")  2.85  0.15  0.15
assign (resid 12 AND name O    AND segi "acha" )(resid 16 AND name HN   and segi "acha")   1.90  0.1   0.1
assign (resid 12 AND name O    AND segi "acha" )(resid 16 AND name N    and segi "acha")  2.85  0.15  0.15
assign (resid 13 AND name O    AND segi "acha" )(resid 17 AND name HN   and segi "acha")   1.90  0.1   0.1
assign (resid 13 AND name O    AND segi "acha" )(resid 17 AND name N    and segi "acha")  2.85  0.15  0.15
assign (resid 14 AND name O    AND segi "acha" )(resid 18 AND name HN   and segi "acha")   1.90  0.1   0.1
assign (resid 14 AND name O    AND segi "acha" )(resid 18 AND name N    and segi "acha")  2.85  0.15  0.15
assign (resid 15 AND name O    AND segi "acha" )(resid 19 AND name HN   and segi "acha")   1.90  0.1   0.1
assign (resid 15 AND name O    AND segi "acha" )(resid 19 AND name N    and segi "acha")  2.85  0.15  0.15
assign (resid  8 AND name O    AND segi "bcha" )(resid 12 AND name HN   and segi "bcha")   1.90  0.1   0.1
assign (resid  8 AND name O    AND segi "bcha" )(resid 12 AND name N    and segi "bcha")  2.85  0.15  0.15
assign (resid  9 AND name O    AND segi "bcha" )(resid 13 AND name HN   and segi "bcha")   1.90  0.1   0.1
assign (resid  9 AND name O    AND segi "bcha" )(resid 13 AND name N    and segi "bcha")  2.85  0.15  0.15
assign (resid 10 AND name O    AND segi "bcha" )(resid 14 AND name HN   and segi "bcha")   1.90  0.1   0.1
assign (resid 10 AND name O    AND segi "bcha" )(resid 14 AND name N    and segi "bcha")  2.85  0.15  0.15
assign (resid 11 AND name O    AND segi "bcha" )(resid 15 AND name HN   and segi "bcha")   1.90  0.1   0.1
assign (resid 11 AND name O    AND segi "bcha" )(resid 15 AND name N    and segi "bcha")  2.85  0.15  0.15
assign (resid 12 AND name O    AND segi "bcha" )(resid 16 AND name HN   and segi "bcha")   1.90  0.1   0.1
assign (resid 12 AND name O    AND segi "bcha" )(resid 16 AND name N    and segi "bcha")  2.85  0.15  0.15
assign (resid 13 AND name O    AND segi "bcha" )(resid 17 AND name HN   and segi "bcha")   1.90  0.1   0.1
assign (resid 13 AND name O    AND segi "bcha" )(resid 17 AND name N    and segi "bcha")  2.85  0.15  0.15
assign (resid 14 AND name O    AND segi "bcha" )(resid 18 AND name HN   and segi "bcha")   1.90  0.1   0.1
assign (resid 14 AND name O    AND segi "bcha" )(resid 18 AND name N    and segi "bcha")  2.85  0.15  0.15
assign (resid 15 AND name O    AND segi "bcha" )(resid 19 AND name HN   and segi "bcha")   1.90  0.1   0.1
assign (resid 15 AND name O    AND segi "bcha" )(resid 19 AND name N    and segi "bcha")  2.85  0.15  0.15
end
 constraints
     dihedral

         assign (resid  3 and name n and segi "acha") 
                (resid  3 and name hn and segi "acha")
                (resid  3 and name ha and segi "acha")
                (resid  3 and name ca and segi "acha") 1 -65.0 25.0 2 
         assign (resid  4 and name n and segi "acha") 
                (resid  4 and name hn and segi "acha")
                (resid  4 and name ha and segi "acha")
                (resid  4 and name ca and segi "acha") 1 -65.0 25.0 2 
         assign (resid 13 and name n and segi "acha") 
                (resid 13 and name hn and segi "acha")
                (resid 13 and name ha and segi "acha")
                (resid 13 and name ca and segi "acha") 1 -65.0 25.0 2 
         assign (resid 14 and name n and segi "acha") 
                (resid 14 and name hn and segi "acha")
                (resid 14 and name ha and segi "acha")
                (resid 14 and name ca and segi "acha") 1 -65.0 25.0 2 
         assign (resid 15 and name n and segi "acha") 
                (resid 15 and name hn and segi "acha")
                (resid 15 and name ha and segi "acha")
                (resid 15 and name ca and segi "acha") 1 -65.0 25.0 2 
         assign (resid 16 and name n and segi "acha") 
                (resid 16 and name hn and segi "acha")
                (resid 16 and name ha and segi "acha")
                (resid 16 and name ca and segi "acha") 1 -65.0 25.0 2 
         assign (resid 18 and name n and segi "acha") 
                (resid 18 and name hn and segi "acha")
                (resid 18 and name ha and segi "acha")
                (resid 18 and name ca and segi "acha") 1 -65.0 25.0 2 
         assign (resid 14 and name n and segi "bcha") 
                (resid 14 and name hn and segi "bcha")
                (resid 14 and name ha and segi "bcha")
                (resid 14 and name ca and segi "bcha") 1 -65.0 25.0 2 
         assign (resid 15 and name n and segi "bcha") 
                (resid 15 and name hn and segi "bcha")
                (resid 15 and name ha and segi "bcha")
                (resid 15 and name ca and segi "bcha") 1 -65.0 25.0 2 
         assign (resid 18 and name n and segi "bcha") 
                (resid 18 and name hn and segi "bcha")
                (resid 18 and name ha and segi "bcha")
                (resid 18 and name ca and segi "bcha") 1 -65.0 25.0 2 
     end
end   

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  378 H/Q atoms
  Start of MODEL    1
    1   1H    GLY   1           HT1      GLY   1   5.774  -8.571  -5.924
    2   2H    GLY   1           HT3      GLY   1   5.442  -9.552  -7.208
    3   3H    GLY   1           HT2      GLY   1   7.005  -8.900  -7.027
    4   1HA   GLY   1           HA1      GLY   1   6.390  -7.045  -8.135
    5   2HA   GLY   1           HA2      GLY   1   4.826  -7.811  -8.432
    6    H    ILE   2           HN       ILE   2   3.845  -5.727  -8.361
    7    HA   ILE   2           HA       ILE   2   3.730  -3.551  -6.987
    8    HB   ILE   2           HB       ILE   2   1.775  -4.615  -8.282
    9   1HG1  ILE   2          HG12      ILE   2   1.492  -2.839  -5.822
   10   2HG1  ILE   2          HG11      ILE   2   1.762  -2.337  -7.462
   11   1HG2  ILE   2          HG21      ILE   2   1.395  -6.566  -6.662
   12   2HG2  ILE   2          HG23      ILE   2   0.844  -5.394  -5.464
   13   3HG2  ILE   2          HG22      ILE   2  -0.037  -5.609  -6.955
   14   1HD1  ILE   2           HD2      ILE   2  -0.504  -3.122  -8.097
   15   2HD1  ILE   2           HD1      ILE   2  -0.777  -3.625  -6.431
   16   3HD1  ILE   2           HD3      ILE   2  -0.539  -1.932  -6.802
   17    H    VAL   3           HN       VAL   3   2.760  -6.368  -4.978
   18    HA   VAL   3           HA       VAL   3   2.501  -4.753  -2.622
   19    HB   VAL   3           HB       VAL   3   1.602  -6.516  -1.910
   20   1HG1  VAL   3          HG12      VAL   3   2.322  -7.963  -4.429
   21   2HG1  VAL   3          HG11      VAL   3   1.265  -8.578  -3.208
   22   3HG1  VAL   3          HG13      VAL   3   0.861  -7.095  -4.023
   23   1HG2  VAL   3          HG21      VAL   3   4.163  -8.133  -2.069
   24   2HG2  VAL   3          HG23      VAL   3   3.499  -7.295  -0.692
   25   3HG2  VAL   3          HG22      VAL   3   2.672  -8.699  -1.339
   26    H    GLU   4           HN       GLU   4   5.181  -7.043  -3.435
   27    HA   GLU   4           HA       GLU   4   6.821  -6.175  -1.350
   28   1HB   GLU   4           HB2      GLU   4   8.756  -6.767  -3.204
   29   2HB   GLU   4           HB1      GLU   4   7.904  -8.010  -2.339
   30   1HG   GLU   4           HG2      GLU   4   7.708  -8.841  -4.484
   31   2HG   GLU   4           HG1      GLU   4   6.267  -7.867  -4.476
   32    H    GLN   5           HN       GLN   5   6.151  -4.961  -4.485
   33    HA   GLN   5           HA       GLN   5   7.981  -2.832  -4.778
   34   1HB   GLN   5           HB2      GLN   5   6.061  -3.832  -6.305
   35   2HB   GLN   5           HB1      GLN   5   5.113  -2.500  -5.644
   36   1HG   GLN   5           HG2      GLN   5   7.861  -2.138  -6.957
   37   2HG   GLN   5           HG1      GLN   5   6.347  -1.774  -7.754
   38   1HE2  GLN   5          HE22      GLN   5   6.006   0.747  -4.922
   39   2HE2  GLN   5          HE21      GLN   5   5.391  -0.825  -4.956
   40    H    CYS   6           HN       CYS   6   4.784  -2.682  -3.182
   41    HA   CYS   6           HA       CYS   6   5.307  -0.047  -1.987
   42   1HB   CYS   6           HB2      CYS   6   3.155  -1.991  -2.141
   43   2HB   CYS   6           HB1      CYS   6   3.387  -1.631  -0.459
   44    H    CYS   7           HN       CYS   7   5.664  -3.310  -0.667
   45    HA   CYS   7           HA       CYS   7   6.559  -2.530   1.851
   46   1HB   CYS   7           HB2      CYS   7   7.807  -4.871   0.522
   47   2HB   CYS   7           HB1      CYS   7   7.255  -4.555   2.167
   48    H    THR   8           HN       THR   8   8.275  -2.264  -1.121
   49    HA   THR   8           HA       THR   8  10.742  -1.367   0.415
   50    HB   THR   8           HB       THR   8  10.772  -2.709  -2.345
   51    HG1  THR   8           HG1      THR   8  10.864  -3.365   0.285
   52   1HG2  THR   8          HG23      THR   8  12.935  -1.727  -0.356
   53   2HG2  THR   8          HG22      THR   8  13.254  -2.484  -1.905
   54   3HG2  THR   8          HG21      THR   8  12.625  -0.851  -1.833
   55    H    SER   9           HN       SER   9   8.806  -0.283  -2.456
   56    HA   SER   9           HA       SER   9  10.623   1.905  -2.747
   57   1HB   SER   9           HB2      SER   9   7.960   1.494  -4.015
   58   2HB   SER   9           HB1      SER   9   9.163   2.751  -4.426
   59    HG   SER   9           HG1      SER   9   9.200   0.534  -5.570
   60    H    ILE  10           HN       ILE  10  10.082   2.292  -0.399
   61    HA   ILE  10           HA       ILE  10   8.982   3.479   1.347
   62    HB   ILE  10           HB       ILE  10  10.298   4.817  -0.608
   63   1HG1  ILE  10          HG12      ILE  10  10.570   6.559   1.128
   64   2HG1  ILE  10          HG11      ILE  10   9.329   5.738   2.073
   65   1HG2  ILE  10          HG21      ILE  10   8.191   5.630  -1.463
   66   2HG2  ILE  10          HG23      ILE  10   7.827   6.368   0.102
   67   3HG2  ILE  10          HG22      ILE  10   9.216   6.928  -0.827
   68   1HD1  ILE  10           HD2      ILE  10  11.898   4.334   1.093
   69   2HD1  ILE  10           HD1      ILE  10  11.714   4.940   2.723
   70   3HD1  ILE  10           HD3      ILE  10  10.700   3.666   2.164
   71    H    CYS  11           HN       CYS  11   6.818   2.479  -0.724
   72    HA   CYS  11           HA       CYS  11   4.543   3.268  -1.206
   73   1HB   CYS  11           HB2      CYS  11   5.052   1.088  -0.251
   74   2HB   CYS  11           HB1      CYS  11   4.703   1.704   1.332
   75    H    SER  12           HN       SER  12   4.056   5.368  -1.045
   76    HA   SER  12           HA       SER  12   2.710   6.251   1.426
   77   1HB   SER  12           HB2      SER  12   5.000   7.366   0.966
   78   2HB   SER  12           HB1      SER  12   4.281   8.086  -0.473
   79    HG   SER  12           HG1      SER  12   3.666   8.546   2.234
   80    H    LEU  13           HN       LEU  13   1.892   8.572   0.339
   81    HA   LEU  13           HA       LEU  13  -0.694   8.185  -0.556
   82   1HB   LEU  13           HB2      LEU  13   1.107  10.550  -1.359
   83   2HB   LEU  13           HB1      LEU  13  -0.629  10.567  -1.376
   84    HG   LEU  13           HG       LEU  13   1.050  10.163   1.159
   85   1HD1  LEU  13          HD11      LEU  13  -0.491  12.557   0.066
   86   2HD1  LEU  13          HD13      LEU  13   0.330  12.504   1.620
   87   3HD1  LEU  13          HD12      LEU  13   1.255  12.430   0.130
   88   1HD2  LEU  13          HD22      LEU  13  -1.922  10.723   0.700
   89   2HD2  LEU  13          HD21      LEU  13  -1.281   9.181   1.235
   90   3HD2  LEU  13          HD23      LEU  13  -1.145  10.587   2.270
   91    OH   TYR  14           OH       TYR  14   3.395  14.243  -3.283
   92    H    TYR  14           HN       TYR  14   1.624   9.408  -2.869
   93    HA   TYR  14           HA       TYR  14   0.385   8.963  -5.291
   94   1HB   TYR  14           HB2      TYR  14   3.364   8.307  -4.862
   95   2HB   TYR  14           HB1      TYR  14   2.600   8.986  -6.293
   96    HD1  TYR  14           HD1      TYR  14   0.859  11.071  -5.232
   97    HD2  TYR  14           HD2      TYR  14   4.811  10.025  -4.034
   98    HE1  TYR  14           HE1      TYR  14   1.202  13.323  -4.410
   99    HE2  TYR  14           HE2      TYR  14   5.130  12.342  -3.201
  100    HH   TYR  14           HH       TYR  14   2.545  14.678  -3.366
  101    H    GLN  15           HN       GLN  15   1.994   6.641  -3.386
  102    HA   GLN  15           HA       GLN  15   1.827   4.333  -5.148
  103   1HB   GLN  15           HB2      GLN  15   2.841   4.927  -2.558
  104   2HB   GLN  15           HB1      GLN  15   1.515   3.883  -2.180
  105   1HG   GLN  15           HG2      GLN  15   3.209   2.295  -2.440
  106   2HG   GLN  15           HG1      GLN  15   2.549   2.263  -4.052
  107   1HE2  GLN  15          HE22      GLN  15   5.739   4.525  -4.294
  108   2HE2  GLN  15          HE21      GLN  15   4.266   5.158  -3.694
  109    H    LEU  16           HN       LEU  16  -0.068   4.895  -2.175
  110    HA   LEU  16           HA       LEU  16  -2.325   3.480  -2.654
  111   1HB   LEU  16           HB2      LEU  16  -1.646   5.943  -1.096
  112   2HB   LEU  16           HB1      LEU  16  -3.276   6.058  -1.662
  113    HG   LEU  16           HG       LEU  16  -2.348   3.434  -0.600
  114   1HD1  LEU  16          HD11      LEU  16  -2.941   5.933   0.977
  115   2HD1  LEU  16          HD13      LEU  16  -2.849   4.328   1.692
  116   3HD1  LEU  16          HD12      LEU  16  -1.459   5.031   0.915
  117   1HD2  LEU  16          HD22      LEU  16  -4.902   5.185  -0.760
  118   2HD2  LEU  16          HD21      LEU  16  -4.524   3.886  -1.846
  119   3HD2  LEU  16          HD23      LEU  16  -4.975   3.548  -0.210
  120    H    GLU  17           HN       GLU  17  -2.048   6.756  -3.900
  121    HA   GLU  17           HA       GLU  17  -4.388   6.949  -5.333
  122   1HB   GLU  17           HB2      GLU  17  -1.606   7.950  -6.177
  123   2HB   GLU  17           HB1      GLU  17  -3.109   8.628  -6.752
  124   1HG   GLU  17           HG2      GLU  17  -3.643   9.547  -4.568
  125   2HG   GLU  17           HG1      GLU  17  -2.436   8.595  -3.750
  126    H    ASN  18           HN       ASN  18  -1.334   5.871  -6.610
  127    HA   ASN  18           HA       ASN  18  -2.309   4.802  -9.139
  128   1HB   ASN  18           HB2      ASN  18   0.340   4.447  -7.783
  129   2HB   ASN  18           HB1      ASN  18  -0.014   4.107  -9.463
  130   1HD2  ASN  18          HD22      ASN  18  -0.411   8.032  -8.973
  131   2HD2  ASN  18          HD21      ASN  18  -1.593   7.000  -8.317
  132    OH   TYR  19           OH       TYR  19   0.828  -3.554  -3.547
  133    H    TYR  19           HN       TYR  19  -2.386   3.511  -6.059
  134    HA   TYR  19           HA       TYR  19  -2.253   0.630  -6.816
  135   1HB   TYR  19           HB2      TYR  19  -0.981   2.021  -4.903
  136   2HB   TYR  19           HB1      TYR  19  -2.388   1.629  -3.963
  137    HD1  TYR  19           HD1      TYR  19  -2.891  -1.231  -4.707
  138    HD2  TYR  19           HD2      TYR  19   0.762   0.883  -4.193
  139    HE1  TYR  19           HE1      TYR  19  -1.705  -3.338  -4.136
  140    HE2  TYR  19           HE2      TYR  19   1.895  -1.202  -3.638
  141    HH   TYR  19           HH       TYR  19   1.765  -3.324  -3.601
  142    H    CYS  20           HN       CYS  20  -4.474   2.932  -5.422
  143    HA   CYS  20           HA       CYS  20  -6.558   1.838  -4.235
  144   1HB   CYS  20           HB2      CYS  20  -6.333   4.124  -5.404
  145   2HB   CYS  20           HB1      CYS  20  -7.095   3.373  -6.776
  146    H    ASN  21           HN       ASN  21  -6.935  -0.345  -4.400
  147    HA   ASN  21           HA       ASN  21  -8.678  -1.394  -6.290
  148   1HB   ASN  21           HB2      ASN  21  -5.891  -2.184  -6.085
  149   2HB   ASN  21           HB1      ASN  21  -7.194  -3.299  -6.600
  150   1HD2  ASN  21          HD22      ASN  21  -5.957  -0.531  -9.159
  151   2HD2  ASN  21          HD21      ASN  21  -5.269  -0.647  -7.602
  152   1H    PHE   1           HT2      PHE   1   7.881  11.995   6.137
  153   2H    PHE   1           HT1      PHE   1   7.583  12.319   4.515
  154   3H    PHE   1           HT3      PHE   1   6.793  13.228   5.721
  155    HA   PHE   1           HA       PHE   1   5.120  11.694   5.829
  156   1HB   PHE   1           HB2      PHE   1   5.434  11.398   3.360
  157   2HB   PHE   1           HB1      PHE   1   6.879  10.443   3.584
  158    HD1  PHE   1           HD2      PHE   1   3.270  10.320   4.731
  159    HD2  PHE   1           HD1      PHE   1   6.642   8.209   3.194
  160    HE1  PHE   1           HE2      PHE   1   1.967   8.249   4.678
  161    HE2  PHE   1           HE1      PHE   1   5.317   6.133   3.147
  162    HZ   PHE   1           HZ       PHE   1   2.992   6.155   3.887
  163    H    VAL   2           HN       VAL   2   5.277   8.710   5.990
  164    HA   VAL   2           HA       VAL   2   6.961   8.543   8.473
  165    HB   VAL   2           HB       VAL   2   5.644   6.500   8.921
  166   1HG1  VAL   2          HG12      VAL   2   4.670   8.674   9.637
  167   2HG1  VAL   2          HG11      VAL   2   3.847   8.838   8.096
  168   3HG1  VAL   2          HG13      VAL   2   3.401   7.553   9.198
  169   1HG2  VAL   2          HG21      VAL   2   5.234   5.739   6.564
  170   2HG2  VAL   2          HG23      VAL   2   3.745   5.849   7.471
  171   3HG2  VAL   2          HG22      VAL   2   4.154   7.101   6.328
  172    H    ASN   3           HN       ASN   3   6.832   7.880   5.337
  173    HA   ASN   3           HA       ASN   3   7.676   6.135   3.954
  174   1HB   ASN   3           HB2      ASN   3  10.230   7.279   3.799
  175   2HB   ASN   3           HB1      ASN   3   8.809   8.001   3.097
  176   1HD2  ASN   3          HD22      ASN   3  10.524   9.682   6.318
  177   2HD2  ASN   3          HD21      ASN   3  11.027   8.147   5.785
  178    H    GLN   4           HN       GLN   4   7.522   4.532   5.837
  179    HA   GLN   4           HA       GLN   4  10.193   3.214   6.336
  180   1HB   GLN   4           HB2      GLN   4   8.477   4.076   8.247
  181   2HB   GLN   4           HB1      GLN   4   7.703   2.546   7.879
  182   1HG   GLN   4           HG2      GLN   4   9.357   2.012   9.585
  183   2HG   GLN   4           HG1      GLN   4  10.025   1.438   8.070
  184   1HE2  GLN   4          HE22      GLN   4  11.869   4.851   8.761
  185   2HE2  GLN   4          HE21      GLN   4  10.239   4.882   8.253
  186    H    HIS   5           HN       HIS   5   8.247   3.179   4.122
  187    HA   HIS   5           HA       HIS   5   7.440   1.747   2.466
  188   1HB   HIS   5           HB2      HIS   5   8.973  -0.491   3.800
  189   2HB   HIS   5           HB1      HIS   5   8.496  -0.239   2.128
  190    HD1  HIS   5           HD1      HIS   5  10.032   0.851   0.740
  191    HD2  HIS   5           HD2      HIS   5  11.108   1.362   4.581
  192    HE1  HIS   5           HE1      HIS   5  12.241   1.951   0.634
  193    H    LEU   6           HN       LEU   6   6.004  -0.236   2.020
  194    HA   LEU   6           HA       LEU   6   4.688  -1.125   4.578
  195   1HB   LEU   6           HB2      LEU   6   3.113  -0.305   2.200
  196   2HB   LEU   6           HB1      LEU   6   2.574  -0.916   3.753
  197    HG   LEU   6           HG       LEU   6   4.326   1.472   3.674
  198   1HD1  LEU   6          HD12      LEU   6   1.313   1.250   3.621
  199   2HD1  LEU   6          HD11      LEU   6   2.214   2.759   3.846
  200   3HD1  LEU   6          HD13      LEU   6   2.314   1.888   2.332
  201   1HD2  LEU   6          HD21      LEU   6   2.315   0.327   5.652
  202   2HD2  LEU   6          HD23      LEU   6   4.059   0.252   5.811
  203   3HD2  LEU   6          HD22      LEU   6   3.259   1.790   5.892
  204    H    CYS   7           HN       CYS   7   4.583  -3.208   4.854
  205    HA   CYS   7           HA       CYS   7   4.061  -4.824   2.525
  206   1HB   CYS   7           HB2      CYS   7   6.373  -4.906   3.976
  207   2HB   CYS   7           HB1      CYS   7   5.448  -6.121   4.828
  208    H    GLY   8           HN       GLY   8   3.243  -6.989   3.083
  209   1HA   GLY   8           HA2      GLY   8   0.968  -7.855   3.561
  210   2HA   GLY   8           HA1      GLY   8   1.871  -8.176   5.032
  211    H    SER   9           HN       SER   9   0.757  -7.636   6.767
  212    HA   SER   9           HA       SER   9  -1.652  -6.454   7.106
  213   1HB   SER   9           HB2      SER   9   0.663  -6.010   9.028
  214   2HB   SER   9           HB1      SER   9  -1.066  -6.067   9.425
  215    HG   SER   9           HG1      SER   9  -0.779  -8.232   9.436
  216    H    HIS  10           HN       HIS  10   1.276  -4.433   7.434
  217    HA   HIS  10           HA       HIS  10  -0.138  -2.066   7.884
  218   1HB   HIS  10           HB2      HIS  10   2.414  -2.774   8.280
  219   2HB   HIS  10           HB1      HIS  10   2.662  -2.160   6.651
  220    HD1  HIS  10           HD1      HIS  10   4.104  -0.326   7.892
  221    HD2  HIS  10           HD2      HIS  10   0.111  -0.064   8.705
  222    HE1  HIS  10           HE1      HIS  10   3.728   1.914   8.896
  223    H    LEU  11           HN       LEU  11   1.434  -3.311   5.015
  224    HA   LEU  11           HA       LEU  11   0.824  -1.323   3.089
  225   1HB   LEU  11           HB2      LEU  11   2.287  -3.369   2.711
  226   2HB   LEU  11           HB1      LEU  11   0.940  -4.435   2.703
  227    HG   LEU  11           HG       LEU  11   1.381  -2.107   0.846
  228   1HD1  LEU  11          HD12      LEU  11   1.832  -5.125   0.404
  229   2HD1  LEU  11          HD11      LEU  11   2.019  -3.883  -0.823
  230   3HD1  LEU  11          HD13      LEU  11   3.117  -3.948   0.520
  231   1HD2  LEU  11          HD22      LEU  11  -0.479  -4.525   0.586
  232   2HD2  LEU  11          HD21      LEU  11  -0.991  -2.865   0.834
  233   3HD2  LEU  11          HD23      LEU  11  -0.225  -3.308  -0.657
  234    H    VAL  12           HN       VAL  12  -1.104  -4.152   3.718
  235    HA   VAL  12           HA       VAL  12  -3.331  -3.310   2.158
  236    HB   VAL  12           HB       VAL  12  -4.652  -5.040   3.459
  237   1HG1  VAL  12          HG13      VAL  12  -3.166  -5.777   1.609
  238   2HG1  VAL  12          HG12      VAL  12  -1.836  -5.931   2.748
  239   3HG1  VAL  12          HG11      VAL  12  -3.232  -6.987   2.881
  240   1HG2  VAL  12          HG23      VAL  12  -3.655  -4.762   5.715
  241   2HG2  VAL  12          HG22      VAL  12  -3.558  -6.415   5.159
  242   3HG2  VAL  12          HG21      VAL  12  -2.151  -5.385   5.095
  243    H    GLU  13           HN       GLU  13  -2.969  -2.960   5.740
  244    HA   GLU  13           HA       GLU  13  -5.313  -1.619   6.371
  245   1HB   GLU  13           HB2      GLU  13  -3.524  -2.499   7.890
  246   2HB   GLU  13           HB1      GLU  13  -2.396  -1.344   7.257
  247   1HG   GLU  13           HG2      GLU  13  -3.837   0.488   8.133
  248   2HG   GLU  13           HG1      GLU  13  -4.878  -0.740   8.851
  249    H    ALA  14           HN       ALA  14  -2.298  -0.221   5.609
  250    HA   ALA  14           HA       ALA  14  -2.669   2.454   5.367
  251   1HB   ALA  14           HB3      ALA  14  -0.568   1.183   5.189
  252   2HB   ALA  14           HB2      ALA  14  -1.065   0.550   3.652
  253   3HB   ALA  14           HB1      ALA  14  -0.706   2.251   3.775
  254    H    LEU  15           HN       LEU  15  -2.619   0.558   2.310
  255    HA   LEU  15           HA       LEU  15  -3.931   2.786   1.151
  256   1HB   LEU  15           HB2      LEU  15  -4.799   0.621  -0.552
  257   2HB   LEU  15           HB1      LEU  15  -3.600   1.814  -0.897
  258    HG   LEU  15           HG       LEU  15  -1.903   0.601   0.044
  259   1HD1  LEU  15          HD13      LEU  15  -4.333  -1.420   0.302
  260   2HD1  LEU  15          HD12      LEU  15  -2.703  -1.887   0.722
  261   3HD1  LEU  15          HD11      LEU  15  -3.590  -0.787   1.718
  262   1HD2  LEU  15          HD22      LEU  15  -3.808  -0.966  -1.783
  263   2HD2  LEU  15          HD21      LEU  15  -2.635   0.222  -2.305
  264   3HD2  LEU  15          HD23      LEU  15  -2.097  -1.307  -1.626
  265    OH   TYR  16           OH       TYR  16 -12.458  -2.172   5.368
  266    H    TYR  16           HN       TYR  16  -5.264  -0.316   2.278
  267    HA   TYR  16           HA       TYR  16  -7.884  -0.213   1.548
  268   1HB   TYR  16           HB2      TYR  16  -6.860  -1.850   3.046
  269   2HB   TYR  16           HB1      TYR  16  -6.718  -0.656   4.314
  270    HD1  TYR  16           HD2      TYR  16  -8.661   0.197   5.448
  271    HD2  TYR  16           HD1      TYR  16  -8.992  -2.915   2.560
  272    HE1  TYR  16           HE2      TYR  16 -10.878  -0.329   6.254
  273    HE2  TYR  16           HE1      TYR  16 -11.210  -3.447   3.394
  274    HH   TYR  16           HH       TYR  16 -12.846  -1.275   5.304
  275    H    LEU  17           HN       LEU  17  -6.727   1.592   4.113
  276    HA   LEU  17           HA       LEU  17  -9.051   3.010   4.464
  277   1HB   LEU  17           HB2      LEU  17  -6.773   2.296   5.907
  278   2HB   LEU  17           HB1      LEU  17  -6.224   3.884   5.408
  279    HG   LEU  17           HG       LEU  17  -8.791   3.308   6.350
  280   1HD1  LEU  17          HD11      LEU  17  -7.246   2.451   8.152
  281   2HD1  LEU  17          HD13      LEU  17  -6.305   3.928   8.088
  282   3HD1  LEU  17          HD12      LEU  17  -7.909   3.938   8.804
  283   1HD2  LEU  17          HD21      LEU  17  -7.065   5.839   6.559
  284   2HD2  LEU  17          HD23      LEU  17  -8.519   5.638   5.592
  285   3HD2  LEU  17          HD22      LEU  17  -8.642   5.755   7.328
  286    H    VAL  18           HN       VAL  18  -6.001   3.963   3.023
  287    HA   VAL  18           HA       VAL  18  -7.149   6.498   2.631
  288    HB   VAL  18           HB       VAL  18  -4.889   5.142   1.441
  289   1HG1  VAL  18          HG12      VAL  18  -5.635   8.144   1.190
  290   2HG1  VAL  18          HG11      VAL  18  -4.102   7.529   0.615
  291   3HG1  VAL  18          HG13      VAL  18  -5.586   7.059  -0.174
  292   1HG2  VAL  18          HG22      VAL  18  -5.103   7.340   3.511
  293   2HG2  VAL  18          HG21      VAL  18  -4.676   5.659   3.791
  294   3HG2  VAL  18          HG23      VAL  18  -3.575   6.707   2.924
  295    H    CYS  19           HN       CYS  19  -7.079   3.827   0.575
  296    HA   CYS  19           HA       CYS  19  -9.266   4.542  -1.229
  297   1HB   CYS  19           HB2      CYS  19  -6.855   5.472  -1.854
  298   2HB   CYS  19           HB1      CYS  19  -6.779   3.897  -2.571
  299    H    GLY  20           HN       GLY  20  -8.221   2.316   0.551
  300   1HA   GLY  20           HA2      GLY  20  -8.100   0.168  -1.533
  301   2HA   GLY  20           HA1      GLY  20  -7.365  -0.006  -0.063
  302    H    GLU  21           HN       GLU  21 -10.282   0.927   1.201
  303    HA   GLU  21           HA       GLU  21 -11.355  -1.707   1.055
  304   1HB   GLU  21           HB2      GLU  21 -12.660  -0.918   2.944
  305   2HB   GLU  21           HB1      GLU  21 -11.022  -0.315   3.052
  306   1HG   GLU  21           HG2      GLU  21 -11.739   1.952   2.338
  307   2HG   GLU  21           HG1      GLU  21 -13.409   1.388   2.418
  308    NH1  ARG  22           NH1      ARG  22  -9.349   0.765  -4.567
  309    NH2  ARG  22           NH2      ARG  22 -10.470  -1.009  -5.328
  310    H    ARG  22           HN       ARG  22 -11.249  -0.850  -1.133
  311    HA   ARG  22           HA       ARG  22 -13.803  -0.358  -2.489
  312   1HB   ARG  22           HB2      ARG  22 -11.925   1.508  -2.257
  313   2HB   ARG  22           HB1      ARG  22 -10.986   0.472  -3.198
  314   1HG   ARG  22           HG2      ARG  22 -13.765   1.568  -4.116
  315   2HG   ARG  22           HG1      ARG  22 -12.322   2.513  -4.379
  316   1HD   ARG  22           HD2      ARG  22 -12.668  -0.288  -5.491
  317   2HD   ARG  22           HD1      ARG  22 -13.000   1.166  -6.450
  318    HE   ARG  22           HE       ARG  22 -10.586   1.567  -6.544
  319   1HH1  ARG  22          HH11      ARG  22  -9.246   1.756  -4.547
  320   2HH1  ARG  22          HH12      ARG  22  -8.743   0.189  -4.036
  321   1HH2  ARG  22          HH21      ARG  22 -11.177  -1.314  -5.939
  322   2HH2  ARG  22          HH22      ARG  22  -9.947  -1.651  -4.784
  323    H    GLY  23           HN       GLY  23 -10.343  -2.000  -2.674
  324   1HA   GLY  23           HA2      GLY  23 -11.803  -4.223  -4.069
  325   2HA   GLY  23           HA1      GLY  23 -10.225  -3.668  -4.580
  326    H    PHE  24           HN       PHE  24  -8.966  -3.246  -2.727
  327    HA   PHE  24           HA       PHE  24  -7.359  -4.853  -1.946
  328   1HB   PHE  24           HB2      PHE  24  -7.814  -2.293  -1.333
  329   2HB   PHE  24           HB1      PHE  24  -7.650  -2.941   0.299
  330    HD1  PHE  24           HD1      PHE  24  -6.300  -2.750  -3.048
  331    HD2  PHE  24           HD2      PHE  24  -5.372  -3.815   0.942
  332    HE1  PHE  24           HE1      PHE  24  -4.035  -3.044  -3.732
  333    HE2  PHE  24           HE2      PHE  24  -3.017  -4.129   0.262
  334    HZ   PHE  24           HZ       PHE  24  -2.367  -3.777  -2.066
  335    OH   TYR  25           OH       TYR  25  -5.759  -3.821   7.111
  336    H    TYR  25           HN       TYR  25  -6.306  -5.303  -0.283
  337    HA   TYR  25           HA       TYR  25  -5.547  -6.029   1.850
  338   1HB   TYR  25           HB2      TYR  25  -8.433  -6.469   2.318
  339   2HB   TYR  25           HB1      TYR  25  -7.500  -7.847   2.838
  340    HD1  TYR  25           HD1      TYR  25  -7.375  -4.113   2.898
  341    HD2  TYR  25           HD2      TYR  25  -6.510  -7.712   4.971
  342    HE1  TYR  25           HE1      TYR  25  -6.611  -2.810   4.903
  343    HE2  TYR  25           HE2      TYR  25  -5.763  -6.360   6.930
  344    HH   TYR  25           HH       TYR  25  -4.818  -3.632   7.033
  345    H    THR  26           HN       THR  26  -6.262  -7.770  -0.861
  346    HA   THR  26           HA       THR  26  -4.852 -10.211   0.214
  347    HB   THR  26           HB       THR  26  -5.957 -11.481  -1.667
  348    HG1  THR  26           HG1      THR  26  -5.998  -9.738  -3.071
  349   1HG2  THR  26          HG22      THR  26  -7.318 -10.916   0.485
  350   2HG2  THR  26          HG21      THR  26  -7.902  -9.505  -0.388
  351   3HG2  THR  26          HG23      THR  26  -8.275 -11.109  -0.988
  352    HA   PRO  27           HA       PRO  27  -2.243  -8.200  -3.055
  353   1HB   PRO  27           HB2      PRO  27  -0.303  -7.039  -1.685
  354   2HB   PRO  27           HB1      PRO  27  -1.943  -6.393  -1.578
  355   1HG   PRO  27           HG2      PRO  27  -0.629  -8.432   0.322
  356   2HG   PRO  27           HG1      PRO  27  -1.345  -6.871   0.758
  357   1HD   PRO  27           HD2      PRO  27  -2.788  -9.197   0.901
  358   2HD   PRO  27           HD1      PRO  27  -3.497  -7.631   0.438
  359    H    LYS  28           HN       LYS  28  -1.691 -10.256  -4.035
  360    HA   LYS  28           HA       LYS  28   0.208 -11.920  -2.990
  361   1HB   LYS  28           HB2      LYS  28  -1.587 -12.879  -4.273
  362   2HB   LYS  28           HB1      LYS  28  -1.536 -11.601  -5.467
  363   1HG   LYS  28           HG2      LYS  28  -0.659 -13.836  -6.279
  364   2HG   LYS  28           HG1      LYS  28   0.414 -12.488  -6.558
  365   1HD   LYS  28           HD2      LYS  28   1.266 -13.124  -4.061
  366   2HD   LYS  28           HD1      LYS  28   0.402 -14.560  -4.383
  367   1HE   LYS  28           HE2      LYS  28   2.947 -14.662  -4.829
  368   2HE   LYS  28           HE1      LYS  28   2.100 -14.844  -6.370
  369   1HZ   LYS  28           HZ2      LYS  28   2.289 -12.066  -5.950
  370   2HZ   LYS  28           HZ1      LYS  28   3.698 -12.597  -5.408
  371   3HZ   LYS  28           HZ3      LYS  28   3.252 -12.868  -6.995
  372    H    THR  29           HN       THR  29   2.090 -10.848  -2.773
  373    HA   THR  29           HA       THR  29   3.782  -9.155  -3.738
  374    HB   THR  29           HB       THR  29   5.756 -10.561  -3.530
  375    HG1  THR  29           HG1      THR  29   5.511 -12.272  -4.616
  376   1HG2  THR  29          HG21      THR  29   4.331 -10.499  -1.412
  377   2HG2  THR  29          HG23      THR  29   3.547 -11.972  -1.968
  378   3HG2  THR  29          HG22      THR  29   5.258 -11.978  -1.604
   
  Start of MODEL           2
 Raw file had  378 H/Q atoms
  Start of MODEL    2
    1   1H    GLY   1           HT2      GLY   1   5.969  -6.825  -6.500
    2   2H    GLY   1           HT1      GLY   1   5.298  -7.766  -7.695
    3   3H    GLY   1           HT3      GLY   1   6.816  -7.074  -7.930
    4   1HA   GLY   1           HA1      GLY   1   6.024  -5.158  -8.661
    5   2HA   GLY   1           HA2      GLY   1   4.478  -5.964  -8.773
    6    H    ILE   2           HN       ILE   2   2.937  -5.568  -7.205
    7    HA   ILE   2           HA       ILE   2   2.671  -2.852  -6.355
    8    HB   ILE   2           HB       ILE   2   0.997  -4.663  -7.133
    9   1HG1  ILE   2          HG12      ILE   2  -0.866  -3.818  -5.520
   10   2HG1  ILE   2          HG11      ILE   2   0.392  -2.786  -4.870
   11   1HG2  ILE   2          HG22      ILE   2   1.542  -6.474  -5.518
   12   2HG2  ILE   2          HG21      ILE   2   0.894  -5.486  -4.211
   13   3HG2  ILE   2          HG23      ILE   2  -0.149  -6.027  -5.490
   14   1HD1  ILE   2           HD3      ILE   2  -0.385  -3.007  -7.832
   15   2HD1  ILE   2           HD2      ILE   2  -0.872  -1.709  -6.783
   16   3HD1  ILE   2           HD1      ILE   2   0.822  -1.901  -7.203
   17    H    VAL   3           HN       VAL   3   2.639  -5.600  -4.114
   18    HA   VAL   3           HA       VAL   3   3.132  -3.860  -1.852
   19    HB   VAL   3           HB       VAL   3   2.124  -6.070  -1.371
   20   1HG1  VAL   3          HG13      VAL   3   3.136  -7.268  -3.289
   21   2HG1  VAL   3          HG12      VAL   3   4.696  -7.273  -2.491
   22   3HG1  VAL   3          HG11      VAL   3   3.365  -8.163  -1.792
   23   1HG2  VAL   3          HG21      VAL   3   3.772  -5.206   0.313
   24   2HG2  VAL   3          HG23      VAL   3   3.684  -6.953   0.347
   25   3HG2  VAL   3          HG22      VAL   3   5.035  -6.147  -0.425
   26    H    GLU   4           HN       GLU   4   5.121  -5.882  -3.807
   27    HA   GLU   4           HA       GLU   4   7.668  -5.778  -2.846
   28   1HB   GLU   4           HB2      GLU   4   6.937  -6.813  -4.841
   29   2HB   GLU   4           HB1      GLU   4   6.513  -5.265  -5.546
   30   1HG   GLU   4           HG2      GLU   4   8.942  -4.701  -5.802
   31   2HG   GLU   4           HG1      GLU   4   9.372  -6.250  -5.070
   32    H    GLN   5           HN       GLN   5   6.001  -3.311  -4.728
   33    HA   GLN   5           HA       GLN   5   7.808  -1.203  -4.630
   34   1HB   GLN   5           HB2      GLN   5   5.583  -1.438  -5.905
   35   2HB   GLN   5           HB1      GLN   5   4.873  -0.720  -4.479
   36   1HG   GLN   5           HG2      GLN   5   5.552   1.184  -5.958
   37   2HG   GLN   5           HG1      GLN   5   6.741   1.153  -4.661
   38   1HE2  GLN   5          HE22      GLN   5   7.656  -0.247  -8.313
   39   2HE2  GLN   5          HE21      GLN   5   6.029  -0.031  -7.792
   40    H    CYS   6           HN       CYS   6   4.931  -1.667  -2.738
   41    HA   CYS   6           HA       CYS   6   5.581   0.337  -0.608
   42   1HB   CYS   6           HB2      CYS   6   3.383  -0.153  -1.856
   43   2HB   CYS   6           HB1      CYS   6   3.247  -1.576  -0.864
   44    H    CYS   7           HN       CYS   7   6.882  -2.442  -0.751
   45    HA   CYS   7           HA       CYS   7   6.963  -2.863   2.112
   46   1HB   CYS   7           HB2      CYS   7   5.849  -4.648   1.123
   47   2HB   CYS   7           HB1      CYS   7   6.944  -4.774  -0.222
   48    H    THR   8           HN       THR   8   8.683  -2.873  -0.928
   49    HA   THR   8           HA       THR   8  11.293  -2.530   0.530
   50    HB   THR   8           HB       THR   8  10.788  -3.408  -2.410
   51    HG1  THR   8           HG1      THR   8  10.720  -4.640  -0.065
   52   1HG2  THR   8          HG21      THR   8  13.256  -3.464  -0.579
   53   2HG2  THR   8          HG23      THR   8  13.204  -3.919  -2.270
   54   3HG2  THR   8          HG22      THR   8  13.090  -2.225  -1.811
   55    H    SER   9           HN       SER   9  11.346  -1.456  -2.723
   56    HA   SER   9           HA       SER   9  12.257   0.843  -2.997
   57   1HB   SER   9           HB2      SER   9   9.324   0.638  -3.652
   58   2HB   SER   9           HB1      SER   9  10.483   1.762  -4.381
   59    HG   SER   9           HG1      SER   9  10.159  -0.270  -5.448
   60    H    ILE  10           HN       ILE  10   9.184   1.127  -1.524
   61    HA   ILE  10           HA       ILE  10   8.645   2.281   0.479
   62    HB   ILE  10           HB       ILE  10   9.978   4.001  -1.225
   63   1HG1  ILE  10          HG12      ILE  10  11.739   3.892   0.259
   64   2HG1  ILE  10          HG11      ILE  10  10.859   4.866   1.401
   65   1HG2  ILE  10          HG22      ILE  10   8.126   5.432  -0.677
   66   2HG2  ILE  10          HG21      ILE  10   8.302   5.034   1.067
   67   3HG2  ILE  10          HG23      ILE  10   9.500   6.078   0.260
   68   1HD1  ILE  10           HD2      ILE  10   9.639   2.799   2.167
   69   2HD1  ILE  10           HD1      ILE  10  10.608   1.928   0.994
   70   3HD1  ILE  10           HD3      ILE  10  11.394   2.703   2.353
   71    H    CYS  11           HN       CYS  11   6.818   3.496   0.685
   72    HA   CYS  11           HA       CYS  11   5.051   3.400  -1.722
   73   1HB   CYS  11           HB2      CYS  11   4.843   2.110   0.617
   74   2HB   CYS  11           HB1      CYS  11   4.031   3.570   1.090
   75    H    SER  12           HN       SER  12   2.947   4.918  -0.627
   76    HA   SER  12           HA       SER  12   3.374   7.445   0.316
   77   1HB   SER  12           HB2      SER  12   3.382   8.920  -1.717
   78   2HB   SER  12           HB1      SER  12   4.752   7.825  -1.912
   79    HG   SER  12           HG1      SER  12   3.723   7.375  -3.738
   80    H    LEU  13           HN       LEU  13   1.612   8.781  -0.088
   81    HA   LEU  13           HA       LEU  13  -0.897   7.658   0.265
   82   1HB   LEU  13           HB2      LEU  13  -0.242  10.389  -1.018
   83   2HB   LEU  13           HB1      LEU  13  -1.774   9.940  -0.349
   84    HG   LEU  13           HG       LEU  13  -0.451   9.537   1.899
   85   1HD1  LEU  13          HD11      LEU  13   1.443  11.459   0.493
   86   2HD1  LEU  13          HD13      LEU  13   1.419  11.119   2.206
   87   3HD1  LEU  13          HD12      LEU  13   1.890   9.873   1.113
   88   1HD2  LEU  13          HD23      LEU  13  -0.907  12.318   0.730
   89   2HD2  LEU  13          HD22      LEU  13  -2.130  11.316   1.482
   90   3HD2  LEU  13          HD21      LEU  13  -0.807  11.953   2.446
   91    OH   TYR  14           OH       TYR  14   1.159   6.499 -10.169
   92    H    TYR  14           HN       TYR  14   0.282   9.204  -2.577
   93    HA   TYR  14           HA       TYR  14  -1.507   8.462  -4.576
   94   1HB   TYR  14           HB2      TYR  14   0.239   9.987  -5.207
   95   2HB   TYR  14           HB1      TYR  14   1.524   8.952  -4.593
   96    HD1  TYR  14           HD1      TYR  14   2.052   6.826  -5.791
   97    HD2  TYR  14           HD2      TYR  14  -0.565   9.714  -7.480
   98    HE1  TYR  14           HE1      TYR  14   2.292   5.761  -8.007
   99    HE2  TYR  14           HE2      TYR  14  -0.291   8.615  -9.698
  100    HH   TYR  14           HH       TYR  14   0.915   5.590  -9.938
  101    H    GLN  15           HN       GLN  15   1.230   6.615  -3.387
  102    HA   GLN  15           HA       GLN  15   0.985   4.329  -5.052
  103   1HB   GLN  15           HB2      GLN  15   2.590   5.111  -2.891
  104   2HB   GLN  15           HB1      GLN  15   1.636   3.873  -2.146
  105   1HG   GLN  15           HG2      GLN  15   3.631   2.741  -3.128
  106   2HG   GLN  15           HG1      GLN  15   2.241   2.288  -4.086
  107   1HE2  GLN  15          HE22      GLN  15   4.105   5.221  -5.999
  108   2HE2  GLN  15          HE21      GLN  15   3.350   5.548  -4.500
  109    H    LEU  16           HN       LEU  16  -0.197   4.660  -1.791
  110    HA   LEU  16           HA       LEU  16  -1.796   2.508  -1.436
  111   1HB   LEU  16           HB2      LEU  16  -2.490   5.331  -0.591
  112   2HB   LEU  16           HB1      LEU  16  -3.185   3.888   0.110
  113    HG   LEU  16           HG       LEU  16  -0.224   4.394  -0.040
  114   1HD1  LEU  16          HD13      LEU  16  -1.467   6.047   1.484
  115   2HD1  LEU  16          HD12      LEU  16  -2.197   4.686   2.309
  116   3HD1  LEU  16          HD11      LEU  16  -0.467   4.964   2.439
  117   1HD2  LEU  16          HD22      LEU  16  -1.779   2.406   1.556
  118   2HD2  LEU  16          HD21      LEU  16  -0.709   2.056   0.204
  119   3HD2  LEU  16          HD23      LEU  16  -0.044   2.678   1.681
  120    H    GLU  17           HN       GLU  17  -2.845   5.551  -2.731
  121    HA   GLU  17           HA       GLU  17  -5.409   4.941  -3.573
  122   1HB   GLU  17           HB2      GLU  17  -3.421   7.043  -4.614
  123   2HB   GLU  17           HB1      GLU  17  -5.155   7.175  -4.783
  124   1HG   GLU  17           HG2      GLU  17  -5.476   7.609  -2.453
  125   2HG   GLU  17           HG1      GLU  17  -3.967   6.890  -1.968
  126    H    ASN  18           HN       ASN  18  -2.669   5.246  -5.783
  127    HA   ASN  18           HA       ASN  18  -4.208   4.271  -8.054
  128   1HB   ASN  18           HB2      ASN  18  -2.275   4.583  -9.348
  129   2HB   ASN  18           HB1      ASN  18  -2.089   5.757  -8.069
  130   1HD2  ASN  18          HD22      ASN  18   0.465   3.210  -6.836
  131   2HD2  ASN  18          HD21      ASN  18  -1.101   3.425  -6.203
  132    OH   TYR  19           OH       TYR  19   3.707   0.701  -7.498
  133    H    TYR  19           HN       TYR  19  -2.767   2.631  -5.459
  134    HA   TYR  19           HA       TYR  19  -2.558   0.050  -6.964
  135   1HB   TYR  19           HB2      TYR  19  -1.457   1.009  -4.278
  136   2HB   TYR  19           HB1      TYR  19  -1.489  -0.690  -4.667
  137    HD1  TYR  19           HD2      TYR  19  -0.789   1.053  -7.713
  138    HD2  TYR  19           HD1      TYR  19   0.987  -0.188  -4.038
  139    HE1  TYR  19           HE2      TYR  19   1.450   1.208  -8.713
  140    HE2  TYR  19           HE1      TYR  19   3.183  -0.014  -5.087
  141    HH   TYR  19           HH       TYR  19   3.978   1.533  -7.089
  142    H    CYS  20           HN       CYS  20  -4.095   1.111  -3.914
  143    HA   CYS  20           HA       CYS  20  -5.299  -0.888  -2.720
  144   1HB   CYS  20           HB2      CYS  20  -7.309   0.546  -2.498
  145   2HB   CYS  20           HB1      CYS  20  -5.788   1.378  -2.291
  146    H    ASN  21           HN       ASN  21  -7.653   0.197  -4.884
  147    HA   ASN  21           HA       ASN  21  -9.445  -1.510  -5.030
  148   1HB   ASN  21           HB2      ASN  21  -9.698  -1.143  -7.465
  149   2HB   ASN  21           HB1      ASN  21  -9.243   0.304  -6.528
  150   1HD2  ASN  21          HD22      ASN  21  -5.936  -0.694  -8.303
  151   2HD2  ASN  21          HD21      ASN  21  -6.526  -1.596  -6.985
  152   1H    PHE   1           HT3      PHE   1   7.234   6.786   0.198
  153   2H    PHE   1           HT2      PHE   1   6.787   8.086  -0.711
  154   3H    PHE   1           HT1      PHE   1   8.336   8.062  -0.003
  155    HA   PHE   1           HA       PHE   1   7.483   9.006   1.903
  156   1HB   PHE   1           HB2      PHE   1   5.898  10.260   0.409
  157   2HB   PHE   1           HB1      PHE   1   4.851   8.862   0.306
  158    HD1  PHE   1           HD1      PHE   1   3.671   8.035   2.431
  159    HD2  PHE   1           HD2      PHE   1   5.660  11.811   2.194
  160    HE1  PHE   1           HE1      PHE   1   2.443   8.802   4.377
  161    HE2  PHE   1           HE2      PHE   1   4.406  12.559   4.154
  162    HZ   PHE   1           HZ       PHE   1   2.803  11.070   5.247
  163    H    VAL   2           HN       VAL   2   7.583   7.750   3.630
  164    HA   VAL   2           HA       VAL   2   6.232   6.605   5.418
  165    HB   VAL   2           HB       VAL   2   5.692   4.293   5.045
  166   1HG1  VAL   2          HG11      VAL   2   3.927   6.155   3.429
  167   2HG1  VAL   2          HG13      VAL   2   3.488   4.542   3.901
  168   3HG1  VAL   2          HG12      VAL   2   3.829   5.746   5.116
  169   1HG2  VAL   2          HG21      VAL   2   6.874   3.525   3.075
  170   2HG2  VAL   2          HG23      VAL   2   5.168   3.282   2.858
  171   3HG2  VAL   2          HG22      VAL   2   5.965   4.583   2.024
  172    H    ASN   3           HN       ASN   3   8.569   7.157   5.395
  173    HA   ASN   3           HA       ASN   3  10.665   5.426   4.890
  174   1HB   ASN   3           HB2      ASN   3  10.859   7.883   5.550
  175   2HB   ASN   3           HB1      ASN   3  10.458   7.440   7.208
  176   1HD2  ASN   3          HD22      ASN   3  13.696   6.299   7.822
  177   2HD2  ASN   3          HD21      ASN   3  12.111   6.422   8.452
  178    H    GLN   4           HN       GLN   4   9.741   3.417   5.448
  179    HA   GLN   4           HA       GLN   4  10.640   1.956   7.764
  180   1HB   GLN   4           HB2      GLN   4   9.447   3.146   9.174
  181   2HB   GLN   4           HB1      GLN   4   8.145   3.479   8.070
  182   1HG   GLN   4           HG2      GLN   4   8.594   0.609   8.868
  183   2HG   GLN   4           HG1      GLN   4   7.964   1.678  10.103
  184   1HE2  GLN   4          HE22      GLN   4   5.433   1.891   7.044
  185   2HE2  GLN   4          HE21      GLN   4   6.957   2.653   6.949
  186    H    HIS   5           HN       HIS   5   8.367   2.252   5.216
  187    HA   HIS   5           HA       HIS   5   7.704   0.800   3.518
  188   1HB   HIS   5           HB2      HIS   5   9.020  -1.455   5.066
  189   2HB   HIS   5           HB1      HIS   5   8.460  -1.442   3.400
  190    HD1  HIS   5           HD1      HIS   5   9.944  -0.219   1.723
  191    HD2  HIS   5           HD2      HIS   5  11.371  -0.079   5.508
  192    HE1  HIS   5           HE1      HIS   5  12.168   0.682   1.532
  193    H    LEU   6           HN       LEU   6   5.925  -0.957   3.224
  194    HA   LEU   6           HA       LEU   6   4.268  -1.120   5.729
  195   1HB   LEU   6           HB2      LEU   6   3.340  -0.842   2.934
  196   2HB   LEU   6           HB1      LEU   6   2.388  -0.943   4.407
  197    HG   LEU   6           HG       LEU   6   4.543   1.125   4.124
  198   1HD1  LEU   6          HD11      LEU   6   1.532   1.263   3.685
  199   2HD1  LEU   6          HD13      LEU   6   2.604   2.655   3.673
  200   3HD1  LEU   6          HD12      LEU   6   2.747   1.429   2.434
  201   1HD2  LEU   6          HD23      LEU   6   2.158   0.890   5.963
  202   2HD2  LEU   6          HD22      LEU   6   3.827   0.614   6.461
  203   3HD2  LEU   6          HD21      LEU   6   3.317   2.204   5.966
  204    H    CYS   7           HN       CYS   7   4.859  -3.002   2.907
  205    HA   CYS   7           HA       CYS   7   4.232  -5.223   2.319
  206   1HB   CYS   7           HB2      CYS   7   6.410  -4.945   3.902
  207   2HB   CYS   7           HB1      CYS   7   5.550  -6.187   4.770
  208    H    GLY   8           HN       GLY   8   3.602  -5.373   5.812
  209   1HA   GLY   8           HA2      GLY   8   1.320  -7.280   5.236
  210   2HA   GLY   8           HA1      GLY   8   2.206  -7.269   6.748
  211    H    SER   9           HN       SER   9   0.796  -6.651   8.322
  212    HA   SER   9           HA       SER   9  -1.660  -5.493   8.299
  213   1HB   SER   9           HB2      SER   9   0.495  -4.620  10.299
  214   2HB   SER   9           HB1      SER   9  -1.259  -4.642  10.559
  215    HG   SER   9           HG1      SER   9  -1.009  -6.760  10.950
  216    H    HIS  10           HN       HIS  10   1.062  -3.299   8.890
  217    HA   HIS  10           HA       HIS  10  -0.160  -0.883   8.554
  218   1HB   HIS  10           HB2      HIS  10   2.633  -1.791   7.674
  219   2HB   HIS  10           HB1      HIS  10   2.113  -0.115   7.644
  220    HD1  HIS  10           HD1      HIS  10   4.234  -0.205   9.337
  221    HD2  HIS  10           HD2      HIS  10   0.610  -1.413  10.821
  222    HE1  HIS  10           HE1      HIS  10   4.394  -0.018  11.722
  223    H    LEU  11           HN       LEU  11   1.127  -2.817   5.943
  224    HA   LEU  11           HA       LEU  11   0.453  -1.020   3.803
  225   1HB   LEU  11           HB2      LEU  11   2.128  -2.940   3.759
  226   2HB   LEU  11           HB1      LEU  11   0.845  -4.090   3.752
  227    HG   LEU  11           HG       LEU  11   1.056  -1.866   1.794
  228   1HD1  LEU  11          HD12      LEU  11   2.284  -4.616   1.609
  229   2HD1  LEU  11          HD11      LEU  11   2.177  -3.485   0.270
  230   3HD1  LEU  11          HD13      LEU  11   3.160  -3.082   1.662
  231   1HD2  LEU  11          HD23      LEU  11   0.009  -4.806   1.772
  232   2HD2  LEU  11          HD22      LEU  11  -1.081  -3.450   1.862
  233   3HD2  LEU  11          HD21      LEU  11  -0.177  -3.740   0.413
  234    H    VAL  12           HN       VAL  12  -1.152  -4.000   4.649
  235    HA   VAL  12           HA       VAL  12  -3.402  -3.634   2.904
  236    HB   VAL  12           HB       VAL  12  -3.055  -5.812   4.048
  237   1HG1  VAL  12          HG12      VAL  12  -3.790  -4.418   6.656
  238   2HG1  VAL  12          HG11      VAL  12  -3.564  -6.142   6.444
  239   3HG1  VAL  12          HG13      VAL  12  -2.214  -5.058   6.202
  240   1HG2  VAL  12          HG23      VAL  12  -5.412  -5.274   3.405
  241   2HG2  VAL  12          HG22      VAL  12  -5.385  -6.262   4.854
  242   3HG2  VAL  12          HG21      VAL  12  -5.680  -4.542   4.973
  243    H    GLU  13           HN       GLU  13  -3.057  -2.583   6.269
  244    HA   GLU  13           HA       GLU  13  -5.518  -1.276   6.651
  245   1HB   GLU  13           HB2      GLU  13  -3.540  -2.026   8.180
  246   2HB   GLU  13           HB1      GLU  13  -2.793  -0.502   7.774
  247   1HG   GLU  13           HG2      GLU  13  -4.779   0.685   8.682
  248   2HG   GLU  13           HG1      GLU  13  -5.523  -0.873   9.048
  249    H    ALA  14           HN       ALA  14  -2.431   0.152   5.839
  250    HA   ALA  14           HA       ALA  14  -2.824   2.782   5.297
  251   1HB   ALA  14           HB2      ALA  14  -0.630   1.479   4.847
  252   2HB   ALA  14           HB1      ALA  14  -1.350   0.840   3.400
  253   3HB   ALA  14           HB3      ALA  14  -1.044   2.547   3.517
  254    H    LEU  15           HN       LEU  15  -3.060   0.359   2.911
  255    HA   LEU  15           HA       LEU  15  -4.320   1.818   0.900
  256   1HB   LEU  15           HB2      LEU  15  -4.006  -1.047   1.671
  257   2HB   LEU  15           HB1      LEU  15  -4.901  -0.674   0.209
  258    HG   LEU  15           HG       LEU  15  -2.173   0.646   0.614
  259   1HD1  LEU  15          HD12      LEU  15  -2.774  -2.187  -0.390
  260   2HD1  LEU  15          HD11      LEU  15  -1.199  -1.376  -0.343
  261   3HD1  LEU  15          HD13      LEU  15  -2.018  -1.799   1.129
  262   1HD2  LEU  15          HD21      LEU  15  -3.790  -0.437  -1.678
  263   2HD2  LEU  15          HD23      LEU  15  -3.767   1.234  -1.197
  264   3HD2  LEU  15          HD22      LEU  15  -2.309   0.488  -1.834
  265    OH   TYR  16           OH       TYR  16 -11.180  -5.183   3.619
  266    H    TYR  16           HN       TYR  16  -5.699  -0.600   2.982
  267    HA   TYR  16           HA       TYR  16  -8.261  -0.637   2.431
  268   1HB   TYR  16           HB2      TYR  16  -6.741  -1.220   4.809
  269   2HB   TYR  16           HB1      TYR  16  -8.067  -0.245   5.385
  270    HD1  TYR  16           HD1      TYR  16  -7.218  -3.063   3.196
  271    HD2  TYR  16           HD2      TYR  16 -10.254  -1.169   5.471
  272    HE1  TYR  16           HE1      TYR  16  -8.691  -4.935   2.750
  273    HE2  TYR  16           HE2      TYR  16 -11.749  -3.057   5.031
  274    HH   TYR  16           HH       TYR  16 -10.972  -5.479   2.732
  275    H    LEU  17           HN       LEU  17  -6.973   1.774   4.402
  276    HA   LEU  17           HA       LEU  17  -9.505   3.232   4.269
  277   1HB   LEU  17           HB2      LEU  17  -7.081   3.163   5.963
  278   2HB   LEU  17           HB1      LEU  17  -7.647   4.816   5.705
  279    HG   LEU  17           HG       LEU  17  -9.601   2.811   6.059
  280   1HD1  LEU  17          HD13      LEU  17  -7.922   3.879   8.433
  281   2HD1  LEU  17          HD12      LEU  17  -9.380   2.932   8.677
  282   3HD1  LEU  17          HD11      LEU  17  -7.971   2.200   7.930
  283   1HD2  LEU  17          HD21      LEU  17 -10.243   5.151   5.834
  284   2HD2  LEU  17          HD23      LEU  17 -10.714   4.659   7.450
  285   3HD2  LEU  17          HD22      LEU  17  -9.257   5.609   7.211
  286    H    VAL  18           HN       VAL  18  -6.274   4.049   3.164
  287    HA   VAL  18           HA       VAL  18  -7.516   6.464   2.708
  288    HB   VAL  18           HB       VAL  18  -5.076   5.152   1.215
  289   1HG1  VAL  18          HG12      VAL  18  -5.789   8.132   1.179
  290   2HG1  VAL  18          HG11      VAL  18  -4.355   7.437   0.470
  291   3HG1  VAL  18          HG13      VAL  18  -5.919   7.062  -0.193
  292   1HG2  VAL  18          HG21      VAL  18  -5.113   7.300   3.398
  293   2HG2  VAL  18          HG23      VAL  18  -4.735   5.605   3.670
  294   3HG2  VAL  18          HG22      VAL  18  -3.676   6.597   2.682
  295    H    CYS  19           HN       CYS  19  -7.487   3.571   1.024
  296    HA   CYS  19           HA       CYS  19  -9.492   4.473  -0.974
  297   1HB   CYS  19           HB2      CYS  19  -7.327   4.490  -2.026
  298   2HB   CYS  19           HB1      CYS  19  -7.081   2.847  -1.492
  299    H    GLY  20           HN       GLY  20  -8.285   1.699   0.699
  300   1HA   GLY  20           HA2      GLY  20  -9.279  -0.634  -0.151
  301   2HA   GLY  20           HA1      GLY  20  -9.758  -0.208   1.479
  302    H    GLU  21           HN       GLU  21 -11.326   1.426   1.456
  303    HA   GLU  21           HA       GLU  21 -13.865   0.630   1.431
  304   1HB   GLU  21           HB2      GLU  21 -13.130   2.814   2.173
  305   2HB   GLU  21           HB1      GLU  21 -12.608   3.298   0.608
  306   1HG   GLU  21           HG2      GLU  21 -15.020   3.325  -0.208
  307   2HG   GLU  21           HG1      GLU  21 -15.567   2.691   1.323
  308    NH1  ARG  22           NH2      ARG  22 -13.057  -0.275  -7.055
  309    NH2  ARG  22           NH1      ARG  22 -11.264   0.528  -8.076
  310    H    ARG  22           HN       ARG  22 -12.282   1.484  -1.541
  311    HA   ARG  22           HA       ARG  22 -14.630   0.697  -3.183
  312   1HB   ARG  22           HB2      ARG  22 -13.514   1.892  -5.007
  313   2HB   ARG  22           HB1      ARG  22 -13.491   2.860  -3.552
  314   1HG   ARG  22           HG2      ARG  22 -11.252   3.042  -3.663
  315   2HG   ARG  22           HG1      ARG  22 -11.086   1.340  -3.390
  316   1HD   ARG  22           HD2      ARG  22 -11.405   2.672  -6.110
  317   2HD   ARG  22           HD1      ARG  22  -9.919   2.019  -5.418
  318    HE   ARG  22           HE       ARG  22 -11.211  -0.275  -5.336
  319   1HH1  ARG  22          HH21      ARG  22 -13.478  -0.468  -6.169
  320   2HH1  ARG  22          HH22      ARG  22 -13.527  -0.492  -7.897
  321   1HH2  ARG  22          HH11      ARG  22 -10.355   0.923  -7.940
  322   2HH2  ARG  22          HH12      ARG  22 -11.613   0.369  -8.988
  323    H    GLY  23           HN       GLY  23 -11.134  -0.738  -2.864
  324   1HA   GLY  23           HA2      GLY  23 -12.179  -3.200  -3.888
  325   2HA   GLY  23           HA1      GLY  23 -11.212  -2.389  -5.115
  326    H    PHE  24           HN       PHE  24  -9.893  -4.586  -4.297
  327    HA   PHE  24           HA       PHE  24  -7.891  -3.368  -2.578
  328   1HB   PHE  24           HB2      PHE  24  -9.812  -4.455  -1.102
  329   2HB   PHE  24           HB1      PHE  24  -8.903  -5.964  -1.354
  330    HD1  PHE  24           HD2      PHE  24  -8.741  -2.500  -0.361
  331    HD2  PHE  24           HD1      PHE  24  -6.599  -6.138  -0.486
  332    HE1  PHE  24           HE2      PHE  24  -6.987  -1.470   0.971
  333    HE2  PHE  24           HE1      PHE  24  -4.804  -5.130   0.866
  334    HZ   PHE  24           HZ       PHE  24  -5.012  -2.798   1.585
  335    OH   TYR  25           OH       TYR  25  -0.503  -3.171  -1.609
  336    H    TYR  25           HN       TYR  25  -6.906  -4.100  -4.826
  337    HA   TYR  25           HA       TYR  25  -5.957  -6.035  -6.094
  338   1HB   TYR  25           HB2      TYR  25  -3.864  -4.971  -6.378
  339   2HB   TYR  25           HB1      TYR  25  -4.927  -3.747  -5.780
  340    HD1  TYR  25           HD2      TYR  25  -2.339  -6.112  -4.429
  341    HD2  TYR  25           HD1      TYR  25  -4.165  -2.340  -4.120
  342    HE1  TYR  25           HE2      TYR  25  -0.650  -5.380  -2.687
  343    HE2  TYR  25           HE1      TYR  25  -2.457  -1.651  -2.430
  344    HH   TYR  25           HH       TYR  25  -0.339  -2.232  -1.714
  345    H    THR  26           HN       THR  26  -4.868  -5.990  -2.918
  346    HA   THR  26           HA       THR  26  -4.390  -7.665  -1.301
  347    HB   THR  26           HB       THR  26  -3.961 -10.066  -1.802
  348    HG1  THR  26           HG1      THR  26  -4.651  -9.754  -4.390
  349   1HG2  THR  26          HG22      THR  26  -6.252  -8.957  -3.510
  350   2HG2  THR  26          HG21      THR  26  -6.084 -10.606  -2.913
  351   3HG2  THR  26          HG23      THR  26  -6.359  -9.282  -1.798
  352    HA   PRO  27           HA       PRO  27   0.126  -7.803  -1.039
  353   1HB   PRO  27           HB2      PRO  27  -0.768  -9.884   0.977
  354   2HB   PRO  27           HB1      PRO  27   0.561  -8.722   1.115
  355   1HG   PRO  27           HG2      PRO  27  -1.673  -7.969   2.310
  356   2HG   PRO  27           HG1      PRO  27  -1.001  -6.805   1.161
  357   1HD   PRO  27           HD2      PRO  27  -3.205  -8.865   0.607
  358   2HD   PRO  27           HD1      PRO  27  -3.248  -7.098   0.349
  359    H    LYS  28           HN       LYS  28   1.598  -8.933  -1.741
  360    HA   LYS  28           HA       LYS  28   2.790 -11.125  -2.322
  361   1HB   LYS  28           HB2      LYS  28   1.859 -12.588  -3.967
  362   2HB   LYS  28           HB1      LYS  28   0.415 -12.188  -3.100
  363   1HG   LYS  28           HG2      LYS  28   1.326 -10.827  -5.687
  364   2HG   LYS  28           HG1      LYS  28   0.177 -12.148  -5.599
  365   1HD   LYS  28           HD2      LYS  28  -1.370 -10.836  -4.238
  366   2HD   LYS  28           HD1      LYS  28  -0.180  -9.558  -4.062
  367   1HE   LYS  28           HE2      LYS  28  -0.248  -8.960  -6.334
  368   2HE   LYS  28           HE1      LYS  28  -1.396 -10.267  -6.691
  369   1HZ   LYS  28           HZ1      LYS  28  -2.306  -9.026  -4.388
  370   2HZ   LYS  28           HZ3      LYS  28  -1.921  -7.749  -5.336
  371   3HZ   LYS  28           HZ2      LYS  28  -3.108  -8.893  -5.788
  372    H    THR  29           HN       THR  29   4.420 -10.464  -3.514
  373    HA   THR  29           HA       THR  29   5.560  -8.387  -4.268
  374    HB   THR  29           HB       THR  29   6.468  -9.167  -6.384
  375    HG1  THR  29           HG1      THR  29   3.989  -9.872  -6.701
  376   1HG2  THR  29          HG23      THR  29   6.944 -10.640  -4.384
  377   2HG2  THR  29          HG22      THR  29   5.521 -11.596  -4.823
  378   3HG2  THR  29          HG21      THR  29   6.885 -11.496  -5.917
   
  Start of MODEL           3
 Raw file had  378 H/Q atoms
  Start of MODEL    3
    1   1H    GLY   1           HT3      GLY   1   6.878  -4.202  -8.149
    2   2H    GLY   1           HT2      GLY   1   6.951  -4.070  -9.831
    3   3H    GLY   1           HT1      GLY   1   7.852  -3.056  -8.795
    4   1HA   GLY   1           HA1      GLY   1   6.182  -1.574  -8.668
    5   2HA   GLY   1           HA2      GLY   1   5.115  -2.617  -9.627
    6    H    ILE   2           HN       ILE   2   3.451  -1.889  -7.939
    7    HA   ILE   2           HA       ILE   2   2.850  -1.922  -5.464
    8    HB   ILE   2           HB       ILE   2   1.140  -2.652  -6.991
    9   1HG1  ILE   2          HG12      ILE   2   0.608  -3.136  -4.625
   10   2HG1  ILE   2          HG11      ILE   2  -0.307  -4.053  -5.787
   11   1HG2  ILE   2          HG21      ILE   2   2.313  -4.226  -8.440
   12   2HG2  ILE   2          HG23      ILE   2   2.325  -5.446  -7.175
   13   3HG2  ILE   2          HG22      ILE   2   0.818  -4.917  -7.858
   14   1HD1  ILE   2           HD2      ILE   2   1.189  -6.067  -5.342
   15   2HD1  ILE   2           HD1      ILE   2   2.035  -5.155  -4.105
   16   3HD1  ILE   2           HD3      ILE   2   0.358  -5.508  -3.913
   17    H    VAL   3           HN       VAL   3   3.769  -5.134  -6.314
   18    HA   VAL   3           HA       VAL   3   4.058  -6.247  -3.827
   19    HB   VAL   3           HB       VAL   3   5.416  -6.451  -6.589
   20   1HG1  VAL   3          HG13      VAL   3   6.241  -8.387  -4.437
   21   2HG1  VAL   3          HG12      VAL   3   6.425  -8.695  -6.135
   22   3HG1  VAL   3          HG11      VAL   3   7.282  -7.392  -5.378
   23   1HG2  VAL   3          HG21      VAL   3   3.098  -7.326  -6.414
   24   2HG2  VAL   3          HG23      VAL   3   4.210  -8.622  -6.806
   25   3HG2  VAL   3          HG22      VAL   3   3.604  -8.461  -5.184
   26    H    GLU   4           HN       GLU   4   7.137  -5.716  -5.198
   27    HA   GLU   4           HA       GLU   4   8.232  -5.312  -2.653
   28   1HB   GLU   4           HB2      GLU   4  10.327  -4.971  -3.791
   29   2HB   GLU   4           HB1      GLU   4   9.414  -5.931  -4.924
   30   1HG   GLU   4           HG2      GLU   4   9.740  -2.874  -5.120
   31   2HG   GLU   4           HG1      GLU   4  10.561  -4.054  -6.104
   32    H    GLN   5           HN       GLN   5   6.655  -3.254  -4.983
   33    HA   GLN   5           HA       GLN   5   7.466  -0.684  -4.426
   34   1HB   GLN   5           HB2      GLN   5   5.567  -1.586  -5.819
   35   2HB   GLN   5           HB1      GLN   5   4.542  -1.275  -4.424
   36   1HG   GLN   5           HG2      GLN   5   4.365   0.817  -5.296
   37   2HG   GLN   5           HG1      GLN   5   5.948   1.079  -4.603
   38   1HE2  GLN   5          HE22      GLN   5   7.340   1.639  -7.686
   39   2HE2  GLN   5          HE21      GLN   5   7.403   1.877  -6.000
   40    H    CYS   6           HN       CYS   6   5.179  -2.517  -2.553
   41    HA   CYS   6           HA       CYS   6   5.423  -0.560  -0.260
   42   1HB   CYS   6           HB2      CYS   6   3.213  -2.529  -1.135
   43   2HB   CYS   6           HB1      CYS   6   3.066  -1.436   0.230
   44    H    CYS   7           HN       CYS   7   5.765  -3.998  -0.910
   45    HA   CYS   7           HA       CYS   7   6.034  -4.433   1.877
   46   1HB   CYS   7           HB2      CYS   7   5.415  -6.161   0.377
   47   2HB   CYS   7           HB1      CYS   7   6.864  -5.985  -0.576
   48    H    THR   8           HN       THR   8   8.341  -3.974  -0.771
   49    HA   THR   8           HA       THR   8  10.601  -3.726   1.172
   50    HB   THR   8           HB       THR   8  10.841  -4.856  -1.250
   51    HG1  THR   8           HG1      THR   8  12.460  -3.048   0.243
   52   1HG2  THR   8          HG21      THR   8  11.866  -2.015  -1.759
   53   2HG2  THR   8          HG23      THR   8  12.023  -3.416  -2.788
   54   3HG2  THR   8          HG22      THR   8  10.462  -2.653  -2.598
   55    H    SER   9           HN       SER   9   8.967  -1.633  -1.063
   56    HA   SER   9           HA       SER   9  10.692   0.533  -0.336
   57   1HB   SER   9           HB2      SER   9   8.855   0.041  -2.582
   58   2HB   SER   9           HB1      SER   9   9.440   1.692  -2.309
   59    HG   SER   9           HG1      SER   9  10.820  -0.486  -3.223
   60    H    ILE  10           HN       ILE  10   9.686   2.727  -0.788
   61    HA   ILE  10           HA       ILE  10   8.211   3.487   1.470
   62    HB   ILE  10           HB       ILE  10   9.406   4.862  -0.730
   63   1HG1  ILE  10          HG12      ILE  10  10.999   5.464   1.322
   64   2HG1  ILE  10          HG11      ILE  10  10.230   4.045   2.023
   65   1HG2  ILE  10          HG22      ILE  10   8.332   5.956   1.887
   66   2HG2  ILE  10          HG21      ILE  10   9.336   6.864   0.757
   67   3HG2  ILE  10          HG23      ILE  10   7.736   6.342   0.274
   68   1HD1  ILE  10           HD3      ILE  10  11.635   3.926  -0.645
   69   2HD1  ILE  10           HD2      ILE  10  12.403   3.585   0.889
   70   3HD1  ILE  10           HD1      ILE  10  11.112   2.569   0.342
   71    H    CYS  11           HN       CYS  11   6.319   2.416   0.954
   72    HA   CYS  11           HA       CYS  11   4.522   3.443  -1.110
   73   1HB   CYS  11           HB2      CYS  11   4.932   1.191  -0.738
   74   2HB   CYS  11           HB1      CYS  11   4.429   1.307   0.910
   75    H    SER  12           HN       SER  12   3.614   5.386  -0.703
   76    HA   SER  12           HA       SER  12   1.611   5.255   1.443
   77   1HB   SER  12           HB2      SER  12   3.648   6.904   1.904
   78   2HB   SER  12           HB1      SER  12   2.877   7.926   0.666
   79    HG   SER  12           HG1      SER  12   2.085   7.277   3.208
   80    H    LEU  13           HN       LEU  13   0.526   7.513   0.972
   81    HA   LEU  13           HA       LEU  13  -1.736   7.472  -0.467
   82   1HB   LEU  13           HB2      LEU  13   0.194   9.820  -0.938
   83   2HB   LEU  13           HB1      LEU  13  -1.549   9.865  -1.009
   84    HG   LEU  13           HG       LEU  13   0.100   9.330   1.526
   85   1HD1  LEU  13          HD12      LEU  13  -1.581  11.696   0.606
   86   2HD1  LEU  13          HD11      LEU  13  -0.760  11.561   2.153
   87   3HD1  LEU  13          HD13      LEU  13   0.173  11.672   0.672
   88   1HD2  LEU  13          HD21      LEU  13  -2.903   9.732   1.073
   89   2HD2  LEU  13          HD23      LEU  13  -2.164   8.202   1.508
   90   3HD2  LEU  13          HD22      LEU  13  -2.121   9.539   2.637
   91    OH   TYR  14           OH       TYR  14   6.071   5.656  -3.560
   92    H    TYR  14           HN       TYR  14   0.420   9.062  -2.566
   93    HA   TYR  14           HA       TYR  14  -0.576   8.574  -5.057
   94   1HB   TYR  14           HB2      TYR  14   1.602   9.089  -5.930
   95   2HB   TYR  14           HB1      TYR  14   1.609   9.843  -4.348
   96    HD1  TYR  14           HD1      TYR  14   2.846   7.058  -6.367
   97    HD2  TYR  14           HD2      TYR  14   3.008   8.849  -2.520
   98    HE1  TYR  14           HE1      TYR  14   4.774   5.649  -5.788
   99    HE2  TYR  14           HE2      TYR  14   4.965   7.405  -1.974
  100    HH   TYR  14           HH       TYR  14   6.178   5.490  -2.617
  101    H    GLN  15           HN       GLN  15   1.426   6.409  -3.382
  102    HA   GLN  15           HA       GLN  15   1.733   4.265  -5.280
  103   1HB   GLN  15           HB2      GLN  15   3.086   4.817  -3.382
  104   2HB   GLN  15           HB1      GLN  15   1.867   4.098  -2.344
  105   1HG   GLN  15           HG2      GLN  15   2.296   2.018  -2.934
  106   2HG   GLN  15           HG1      GLN  15   2.235   2.372  -4.656
  107   1HE2  GLN  15          HE22      GLN  15   5.617   2.057  -2.803
  108   2HE2  GLN  15          HE21      GLN  15   4.078   1.705  -2.154
  109    H    LEU  16           HN       LEU  16  -0.032   4.336  -2.280
  110    HA   LEU  16           HA       LEU  16  -1.502   2.087  -2.488
  111   1HB   LEU  16           HB2      LEU  16  -2.258   4.779  -1.200
  112   2HB   LEU  16           HB1      LEU  16  -2.918   3.240  -0.672
  113    HG   LEU  16           HG       LEU  16   0.100   3.655  -0.770
  114   1HD1  LEU  16          HD11      LEU  16  -1.833   4.010   1.564
  115   2HD1  LEU  16          HD13      LEU  16  -0.095   4.147   1.718
  116   3HD1  LEU  16          HD12      LEU  16  -1.002   5.366   0.828
  117   1HD2  LEU  16          HD23      LEU  16  -0.632   1.409  -0.559
  118   2HD2  LEU  16          HD22      LEU  16   0.196   1.966   0.873
  119   3HD2  LEU  16          HD21      LEU  16  -1.553   1.875   0.888
  120    H    GLU  17           HN       GLU  17  -2.175   5.264  -3.676
  121    HA   GLU  17           HA       GLU  17  -4.722   5.050  -4.765
  122   1HB   GLU  17           HB2      GLU  17  -2.279   6.766  -5.421
  123   2HB   GLU  17           HB1      GLU  17  -3.817   7.108  -6.152
  124   1HG   GLU  17           HG2      GLU  17  -4.759   7.687  -3.958
  125   2HG   GLU  17           HG1      GLU  17  -3.396   7.023  -3.104
  126    H    ASN  18           HN       ASN  18  -1.636   4.996  -6.505
  127    HA   ASN  18           HA       ASN  18  -2.558   4.080  -9.042
  128   1HB   ASN  18           HB2      ASN  18   0.129   3.596  -7.621
  129   2HB   ASN  18           HB1      ASN  18  -0.108   3.342  -9.336
  130   1HD2  ASN  18          HD22      ASN  18  -0.678   7.214  -8.722
  131   2HD2  ASN  18          HD21      ASN  18  -1.860   6.101  -8.218
  132    OH   TYR  19           OH       TYR  19   3.300  -0.364  -9.184
  133    H    TYR  19           HN       TYR  19  -1.916   2.332  -6.196
  134    HA   TYR  19           HA       TYR  19  -2.831  -0.260  -7.341
  135   1HB   TYR  19           HB2      TYR  19  -1.019   0.281  -4.942
  136   2HB   TYR  19           HB1      TYR  19  -1.452  -1.304  -5.548
  137    HD1  TYR  19           HD1      TYR  19  -1.013  -1.312  -8.347
  138    HD2  TYR  19           HD2      TYR  19   1.165   0.767  -5.360
  139    HE1  TYR  19           HE1      TYR  19   0.965  -1.315  -9.774
  140    HE2  TYR  19           HE2      TYR  19   3.129   0.772  -6.796
  141    HH   TYR  19           HH       TYR  19   3.971   0.186  -8.757
  142    H    CYS  20           HN       CYS  20  -4.693   1.505  -6.676
  143    HA   CYS  20           HA       CYS  20  -5.664   1.032  -3.907
  144   1HB   CYS  20           HB2      CYS  20  -5.714   3.195  -5.168
  145   2HB   CYS  20           HB1      CYS  20  -6.756   2.521  -6.372
  146    H    ASN  21           HN       ASN  21  -8.456   0.854  -5.638
  147    HA   ASN  21           HA       ASN  21  -9.801  -1.159  -5.483
  148   1HB   ASN  21           HB2      ASN  21  -9.469  -1.975  -7.979
  149   2HB   ASN  21           HB1      ASN  21  -9.863  -0.277  -7.758
  150   1HD2  ASN  21          HD22      ASN  21  -5.913  -0.776  -8.399
  151   2HD2  ASN  21          HD21      ASN  21  -6.651  -1.653  -7.120
  152   1H    PHE   1           HT2      PHE   1   8.639  11.517   1.272
  153   2H    PHE   1           HT1      PHE   1   7.067  11.450   0.667
  154   3H    PHE   1           HT3      PHE   1   7.926  12.913   0.629
  155    HA   PHE   1           HA       PHE   1   7.202  13.474   2.668
  156   1HB   PHE   1           HB2      PHE   1   5.459  11.697   3.723
  157   2HB   PHE   1           HB1      PHE   1   5.001  12.514   2.253
  158    HD1  PHE   1           HD1      PHE   1   6.302   9.310   3.635
  159    HD2  PHE   1           HD2      PHE   1   4.843  11.335   0.169
  160    HE1  PHE   1           HE1      PHE   1   6.153   7.202   2.472
  161    HE2  PHE   1           HE2      PHE   1   4.695   9.200  -0.994
  162    HZ   PHE   1           HZ       PHE   1   5.374   7.115   0.143
  163    H    VAL   2           HN       VAL   2   8.008   9.902   3.081
  164    HA   VAL   2           HA       VAL   2  10.271  10.296   4.684
  165    HB   VAL   2           HB       VAL   2   8.558  11.226   6.357
  166   1HG1  VAL   2          HG11      VAL   2   7.270   8.458   6.117
  167   2HG1  VAL   2          HG13      VAL   2   6.842   9.688   7.286
  168   3HG1  VAL   2          HG12      VAL   2   6.541   9.970   5.591
  169   1HG2  VAL   2          HG22      VAL   2  10.498   9.925   7.252
  170   2HG2  VAL   2          HG21      VAL   2   9.065   9.742   8.239
  171   3HG2  VAL   2          HG23      VAL   2   9.542   8.449   7.174
  172    H    ASN   3           HN       ASN   3  10.559   7.834   5.686
  173    HA   ASN   3           HA       ASN   3   9.943   6.277   3.441
  174   1HB   ASN   3           HB2      ASN   3  11.143   5.688   6.192
  175   2HB   ASN   3           HB1      ASN   3  11.026   4.380   5.041
  176   1HD2  ASN   3          HD22      ASN   3  13.893   5.433   3.424
  177   2HD2  ASN   3          HD21      ASN   3  12.749   4.187   3.712
  178    H    GLN   4           HN       GLN   4   8.875   4.003   3.608
  179    HA   GLN   4           HA       GLN   4   6.608   4.011   5.558
  180   1HB   GLN   4           HB2      GLN   4   6.214   5.098   3.066
  181   2HB   GLN   4           HB1      GLN   4   5.752   3.435   2.752
  182   1HG   GLN   4           HG2      GLN   4   3.667   4.104   3.619
  183   2HG   GLN   4           HG1      GLN   4   4.418   3.788   5.142
  184   1HE2  GLN   4          HE22      GLN   4   4.826   7.432   5.568
  185   2HE2  GLN   4          HE21      GLN   4   5.949   6.158   5.601
  186    H    HIS   5           HN       HIS   5   8.244   1.956   3.242
  187    HA   HIS   5           HA       HIS   5   7.630  -0.349   2.764
  188   1HB   HIS   5           HB2      HIS   5   9.337  -0.696   5.172
  189   2HB   HIS   5           HB1      HIS   5   9.475  -1.310   3.519
  190    HD1  HIS   5           HD1      HIS   5  11.109  -0.139   2.181
  191    HD2  HIS   5           HD2      HIS   5   9.891   2.234   5.218
  192    HE1  HIS   5           HE1      HIS   5  12.434   1.921   1.976
  193    H    LEU   6           HN       LEU   6   5.854  -1.565   3.192
  194    HA   LEU   6           HA       LEU   6   4.930  -2.016   5.991
  195   1HB   LEU   6           HB2      LEU   6   3.198  -1.927   3.592
  196   2HB   LEU   6           HB1      LEU   6   2.771  -1.846   5.292
  197    HG   LEU   6           HG       LEU   6   4.237   0.349   5.298
  198   1HD1  LEU   6          HD12      LEU   6   3.347   0.095   2.383
  199   2HD1  LEU   6          HD11      LEU   6   4.053   1.517   3.119
  200   3HD1  LEU   6          HD13      LEU   6   5.025   0.093   2.870
  201   1HD2  LEU   6          HD21      LEU   6   1.773   0.213   5.645
  202   2HD2  LEU   6          HD23      LEU   6   2.224   1.602   4.679
  203   3HD2  LEU   6          HD22      LEU   6   1.555   0.182   3.898
  204    H    CYS   7           HN       CYS   7   6.173  -4.103   3.727
  205    HA   CYS   7           HA       CYS   7   5.005  -6.295   3.174
  206   1HB   CYS   7           HB2      CYS   7   7.205  -6.257   5.244
  207   2HB   CYS   7           HB1      CYS   7   6.724  -7.718   4.441
  208    H    GLY   8           HN       GLY   8   2.834  -6.408   4.048
  209   1HA   GLY   8           HA2      GLY   8   1.678  -8.433   5.168
  210   2HA   GLY   8           HA1      GLY   8   2.614  -8.026   6.598
  211    H    SER   9           HN       SER   9   0.896  -7.615   7.974
  212    HA   SER   9           HA       SER   9  -1.548  -6.403   7.643
  213   1HB   SER   9           HB2      SER   9   0.315  -5.622   9.939
  214   2HB   SER   9           HB1      SER   9  -1.445  -5.654   9.935
  215    HG   SER   9           HG1      SER   9  -1.400  -7.730  10.141
  216    H    HIS  10           HN       HIS  10   0.982  -4.329   8.845
  217    HA   HIS  10           HA       HIS  10   0.108  -1.849   8.444
  218   1HB   HIS  10           HB2      HIS  10   2.517  -2.572   9.092
  219   2HB   HIS  10           HB1      HIS  10   2.891  -2.669   7.376
  220    HD1  HIS  10           HD1      HIS  10   4.444  -0.529   7.443
  221    HD2  HIS  10           HD2      HIS  10   0.659   0.170   8.802
  222    HE1  HIS  10           HE1      HIS  10   4.228   1.916   7.659
  223    H    LEU  11           HN       LEU  11   1.323  -3.709   5.829
  224    HA   LEU  11           HA       LEU  11   0.912  -1.805   3.687
  225   1HB   LEU  11           HB2      LEU  11   2.465  -3.966   3.923
  226   2HB   LEU  11           HB1      LEU  11   1.067  -4.853   3.420
  227    HG   LEU  11           HG       LEU  11   1.922  -2.490   1.892
  228   1HD1  LEU  11          HD11      LEU  11   3.046  -5.347   1.667
  229   2HD1  LEU  11          HD13      LEU  11   3.378  -4.080   0.510
  230   3HD1  LEU  11          HD12      LEU  11   3.960  -3.928   2.155
  231   1HD2  LEU  11          HD21      LEU  11   0.700  -5.195   1.134
  232   2HD2  LEU  11          HD23      LEU  11  -0.179  -3.686   1.282
  233   3HD2  LEU  11          HD22      LEU  11   0.997  -3.884   0.005
  234    H    VAL  12           HN       VAL  12  -0.799  -4.743   4.429
  235    HA   VAL  12           HA       VAL  12  -2.816  -4.140   2.470
  236    HB   VAL  12           HB       VAL  12  -2.364  -6.399   3.696
  237   1HG1  VAL  12          HG12      VAL  12  -4.212  -5.233   5.833
  238   2HG1  VAL  12          HG11      VAL  12  -3.741  -6.915   5.727
  239   3HG1  VAL  12          HG13      VAL  12  -2.551  -5.685   6.031
  240   1HG2  VAL  12          HG21      VAL  12  -5.237  -5.500   3.377
  241   2HG2  VAL  12          HG23      VAL  12  -4.217  -6.257   2.161
  242   3HG2  VAL  12          HG22      VAL  12  -4.752  -7.178   3.554
  243    H    GLU  13           HN       GLU  13  -2.596  -3.444   5.906
  244    HA   GLU  13           HA       GLU  13  -4.992  -2.037   6.422
  245   1HB   GLU  13           HB2      GLU  13  -2.163  -1.772   7.421
  246   2HB   GLU  13           HB1      GLU  13  -3.264  -0.474   7.816
  247   1HG   GLU  13           HG2      GLU  13  -3.825  -1.769   9.578
  248   2HG   GLU  13           HG1      GLU  13  -4.776  -2.716   8.447
  249    H    ALA  14           HN       ALA  14  -1.941  -0.662   5.442
  250    HA   ALA  14           HA       ALA  14  -2.563   1.888   4.887
  251   1HB   ALA  14           HB1      ALA  14  -0.358   0.849   4.270
  252   2HB   ALA  14           HB3      ALA  14  -1.129   0.103   2.878
  253   3HB   ALA  14           HB2      ALA  14  -1.012   1.836   2.937
  254    H    LEU  15           HN       LEU  15  -2.723  -0.568   2.449
  255    HA   LEU  15           HA       LEU  15  -4.128   1.006   0.613
  256   1HB   LEU  15           HB2      LEU  15  -3.542  -1.906   1.113
  257   2HB   LEU  15           HB1      LEU  15  -4.549  -1.503  -0.275
  258    HG   LEU  15           HG       LEU  15  -2.089   0.257   0.141
  259   1HD1  LEU  15          HD11      LEU  15  -1.872  -2.566  -0.959
  260   2HD1  LEU  15          HD13      LEU  15  -0.648  -1.332  -0.998
  261   3HD1  LEU  15          HD12      LEU  15  -1.174  -1.997   0.533
  262   1HD2  LEU  15          HD22      LEU  15  -3.589  -0.893  -2.145
  263   2HD2  LEU  15          HD21      LEU  15  -3.658   0.750  -1.584
  264   3HD2  LEU  15          HD23      LEU  15  -2.178   0.135  -2.290
  265    OH   TYR  16           OH       TYR  16  -8.181  -7.309   4.481
  266    H    TYR  16           HN       TYR  16  -5.387  -1.280   2.866
  267    HA   TYR  16           HA       TYR  16  -8.082  -1.422   2.454
  268   1HB   TYR  16           HB2      TYR  16  -6.221  -1.659   4.686
  269   2HB   TYR  16           HB1      TYR  16  -7.809  -1.319   5.262
  270    HD1  TYR  16           HD1      TYR  16  -9.211  -3.145   3.054
  271    HD2  TYR  16           HD2      TYR  16  -5.936  -3.629   5.719
  272    HE1  TYR  16           HE1      TYR  16  -9.580  -5.543   3.113
  273    HE2  TYR  16           HE2      TYR  16  -6.298  -5.991   5.784
  274    HH   TYR  16           HH       TYR  16  -8.284  -7.524   5.411
  275    H    LEU  17           HN       LEU  17  -6.451   0.909   4.251
  276    HA   LEU  17           HA       LEU  17  -8.935   2.519   4.688
  277   1HB   LEU  17           HB2      LEU  17  -6.227   3.243   5.719
  278   2HB   LEU  17           HB1      LEU  17  -7.794   3.624   6.431
  279    HG   LEU  17           HG       LEU  17  -6.389   1.114   6.047
  280   1HD1  LEU  17          HD11      LEU  17  -5.299   2.445   7.813
  281   2HD1  LEU  17          HD13      LEU  17  -6.834   2.705   8.628
  282   3HD1  LEU  17          HD12      LEU  17  -6.093   1.112   8.628
  283   1HD2  LEU  17          HD21      LEU  17  -8.940   1.654   7.711
  284   2HD2  LEU  17          HD23      LEU  17  -8.878   0.685   6.251
  285   3HD2  LEU  17          HD22      LEU  17  -8.140   0.092   7.724
  286    H    VAL  18           HN       VAL  18  -5.622   3.083   3.718
  287    HA   VAL  18           HA       VAL  18  -6.109   5.662   3.309
  288    HB   VAL  18           HB       VAL  18  -4.137   3.873   1.701
  289   1HG1  VAL  18          HG11      VAL  18  -4.154   6.941   1.793
  290   2HG1  VAL  18          HG13      VAL  18  -2.931   5.971   1.021
  291   3HG1  VAL  18          HG12      VAL  18  -4.548   5.990   0.382
  292   1HG2  VAL  18          HG22      VAL  18  -3.658   5.923   3.951
  293   2HG2  VAL  18          HG21      VAL  18  -3.664   4.184   4.191
  294   3HG2  VAL  18          HG23      VAL  18  -2.411   4.941   3.237
  295    H    CYS  19           HN       CYS  19  -6.600   2.929   1.360
  296    HA   CYS  19           HA       CYS  19  -8.415   4.374  -0.549
  297   1HB   CYS  19           HB2      CYS  19  -5.847   3.395  -1.130
  298   2HB   CYS  19           HB1      CYS  19  -6.903   2.216  -1.836
  299    H    GLY  20           HN       GLY  20  -8.201   1.415   1.346
  300   1HA   GLY  20           HA2      GLY  20  -9.682  -0.473  -0.033
  301   2HA   GLY  20           HA1      GLY  20 -10.019  -0.290   1.626
  302    H    GLU  21           HN       GLU  21 -11.216   2.215   1.343
  303    HA   GLU  21           HA       GLU  21 -13.883   1.543   0.877
  304   1HB   GLU  21           HB2      GLU  21 -12.858   3.301   2.352
  305   2HB   GLU  21           HB1      GLU  21 -12.377   4.227   0.962
  306   1HG   GLU  21           HG2      GLU  21 -14.625   5.073   1.824
  307   2HG   GLU  21           HG1      GLU  21 -14.935   4.285   0.289
  308    NH1  ARG  22           NH1      ARG  22  -8.263   0.261  -1.664
  309    NH2  ARG  22           NH2      ARG  22  -7.343  -1.215  -2.979
  310    H    ARG  22           HN       ARG  22 -13.503   0.414  -1.114
  311    HA   ARG  22           HA       ARG  22 -14.536   1.426  -3.535
  312   1HB   ARG  22           HB2      ARG  22 -12.305   1.358  -4.960
  313   2HB   ARG  22           HB1      ARG  22 -12.545   2.748  -3.904
  314   1HG   ARG  22           HG2      ARG  22 -11.120   2.207  -2.546
  315   2HG   ARG  22           HG1      ARG  22 -11.345   0.509  -2.351
  316   1HD   ARG  22           HD2      ARG  22 -10.006   1.204  -4.867
  317   2HD   ARG  22           HD1      ARG  22  -9.254   1.882  -3.421
  318    HE   ARG  22           HE       ARG  22  -9.632  -1.150  -3.699
  319   1HH1  ARG  22          HH11      ARG  22  -9.108   0.788  -1.640
  320   2HH1  ARG  22          HH12      ARG  22  -7.565   0.313  -0.967
  321   1HH2  ARG  22          HH21      ARG  22  -7.432  -1.708  -3.851
  322   2HH2  ARG  22          HH22      ARG  22  -6.551  -1.376  -2.423
  323    H    GLY  23           HN       GLY  23 -11.600  -0.721  -3.470
  324   1HA   GLY  23           HA2      GLY  23 -13.223  -3.161  -3.963
  325   2HA   GLY  23           HA1      GLY  23 -12.061  -2.651  -5.223
  326    H    PHE  24           HN       PHE  24 -11.312  -5.035  -3.895
  327    HA   PHE  24           HA       PHE  24  -9.019  -3.812  -2.539
  328   1HB   PHE  24           HB2      PHE  24 -11.026  -4.220  -0.827
  329   2HB   PHE  24           HB1      PHE  24 -10.351  -5.864  -0.742
  330    HD1  PHE  24           HD2      PHE  24  -9.459  -2.296  -0.838
  331    HD2  PHE  24           HD1      PHE  24  -8.204  -6.162   0.331
  332    HE1  PHE  24           HE2      PHE  24  -7.482  -1.304   0.150
  333    HE2  PHE  24           HE1      PHE  24  -6.201  -5.185   1.346
  334    HZ   PHE  24           HZ       PHE  24  -5.824  -2.779   1.260
  335    OH   TYR  25           OH       TYR  25  -2.181  -2.320  -3.074
  336    H    TYR  25           HN       TYR  25  -7.675  -4.748  -4.074
  337    HA   TYR  25           HA       TYR  25  -7.330  -7.530  -4.615
  338   1HB   TYR  25           HB2      TYR  25  -5.298  -6.846  -5.742
  339   2HB   TYR  25           HB1      TYR  25  -6.442  -5.532  -5.905
  340    HD1  TYR  25           HD2      TYR  25  -6.243  -3.524  -4.532
  341    HD2  TYR  25           HD1      TYR  25  -3.166  -6.457  -4.503
  342    HE1  TYR  25           HE2      TYR  25  -4.652  -1.881  -3.540
  343    HE2  TYR  25           HE1      TYR  25  -1.588  -4.670  -3.497
  344    HH   TYR  25           HH       TYR  25  -2.532  -1.511  -3.473
  345    H    THR  26           HN       THR  26  -7.235  -6.985  -1.647
  346    HA   THR  26           HA       THR  26  -5.878  -7.494   0.300
  347    HB   THR  26           HB       THR  26  -5.670  -9.943   0.514
  348    HG1  THR  26           HG1      THR  26  -5.508  -9.558  -2.261
  349   1HG2  THR  26          HG21      THR  26  -7.860  -9.387  -1.556
  350   2HG2  THR  26          HG23      THR  26  -7.794 -10.733  -0.440
  351   3HG2  THR  26          HG22      THR  26  -8.074  -9.109   0.161
  352    HA   PRO  27           HA       PRO  27  -1.835  -6.200  -1.919
  353   1HB   PRO  27           HB2      PRO  27  -1.703  -5.486   0.963
  354   2HB   PRO  27           HB1      PRO  27  -1.270  -4.548  -0.466
  355   1HG   PRO  27           HG2      PRO  27  -3.869  -4.550   0.901
  356   2HG   PRO  27           HG1      PRO  27  -3.426  -3.621  -0.515
  357   1HD   PRO  27           HD2      PRO  27  -5.282  -5.617  -0.598
  358   2HD   PRO  27           HD1      PRO  27  -4.305  -5.191  -1.992
  359    H    LYS  28           HN       LYS  28  -0.268  -7.521  -2.401
  360    HA   LYS  28           HA       LYS  28   1.076  -9.102  -0.453
  361   1HB   LYS  28           HB2      LYS  28   0.602  -9.815  -3.398
  362   2HB   LYS  28           HB1      LYS  28   1.226 -10.903  -2.195
  363   1HG   LYS  28           HG2      LYS  28  -1.606  -9.748  -2.183
  364   2HG   LYS  28           HG1      LYS  28  -1.125 -11.358  -2.729
  365   1HD   LYS  28           HD2      LYS  28  -0.243 -11.900  -0.468
  366   2HD   LYS  28           HD1      LYS  28  -0.524 -10.263   0.045
  367   1HE   LYS  28           HE2      LYS  28  -2.238 -12.243   0.663
  368   2HE   LYS  28           HE1      LYS  28  -2.635 -10.543   0.655
  369   1HZ   LYS  28           HZ2      LYS  28  -2.797 -11.510  -1.997
  370   2HZ   LYS  28           HZ1      LYS  28  -3.747 -12.543  -1.049
  371   3HZ   LYS  28           HZ3      LYS  28  -4.024 -10.891  -1.101
  372    H    THR  29           HN       THR  29   2.883 -10.091  -2.031
  373    HA   THR  29           HA       THR  29   4.592  -8.374  -3.454
  374    HB   THR  29           HB       THR  29   5.212  -7.724  -1.036
  375    HG1  THR  29           HG1      THR  29   6.756  -9.268  -2.760
  376   1HG2  THR  29          HG22      THR  29   4.902 -10.133  -0.088
  377   2HG2  THR  29          HG21      THR  29   6.285 -10.580  -1.071
  378   3HG2  THR  29          HG23      THR  29   6.489  -9.415   0.229
   
  Start of MODEL           4
 Raw file had  378 H/Q atoms
  Start of MODEL    4
    1   1H    GLY   1           HT1      GLY   1   5.944  -2.192  -8.897
    2   2H    GLY   1           HT3      GLY   1   7.340  -2.990  -9.319
    3   3H    GLY   1           HT2      GLY   1   6.006  -3.048 -10.358
    4   1HA   GLY   1           HA1      GLY   1   5.245  -4.935  -9.305
    5   2HA   GLY   1           HA2      GLY   1   6.675  -4.843  -8.279
    6    H    ILE   2           HN       ILE   2   3.373  -3.347  -8.496
    7    HA   ILE   2           HA       ILE   2   2.820  -2.028  -6.391
    8    HB   ILE   2           HB       ILE   2   1.070  -2.989  -7.587
    9   1HG1  ILE   2          HG12      ILE   2   0.592  -4.378  -4.951
   10   2HG1  ILE   2          HG11      ILE   2   0.707  -2.632  -5.023
   11   1HG2  ILE   2          HG21      ILE   2   1.904  -5.796  -6.636
   12   2HG2  ILE   2          HG23      ILE   2   0.488  -5.426  -7.581
   13   3HG2  ILE   2          HG22      ILE   2   2.077  -5.167  -8.248
   14   1HD1  ILE   2           HD3      ILE   2  -1.035  -2.594  -6.779
   15   2HD1  ILE   2           HD2      ILE   2  -1.161  -4.350  -6.695
   16   3HD1  ILE   2           HD1      ILE   2  -1.616  -3.362  -5.333
   17    H    VAL   3           HN       VAL   3   2.478  -5.293  -5.113
   18    HA   VAL   3           HA       VAL   3   3.043  -4.335  -2.450
   19    HB   VAL   3           HB       VAL   3   1.729  -6.381  -2.620
   20   1HG1  VAL   3          HG13      VAL   3   2.507  -7.052  -4.904
   21   2HG1  VAL   3          HG12      VAL   3   3.980  -7.679  -4.203
   22   3HG1  VAL   3          HG11      VAL   3   2.405  -8.361  -3.796
   23   1HG2  VAL   3          HG21      VAL   3   3.416  -6.482  -0.768
   24   2HG2  VAL   3          HG23      VAL   3   3.142  -8.097  -1.382
   25   3HG2  VAL   3          HG22      VAL   3   4.582  -7.226  -1.845
   26    H    GLU   4           HN       GLU   4   5.187  -6.263  -4.651
   27    HA   GLU   4           HA       GLU   4   7.546  -6.309  -3.311
   28   1HB   GLU   4           HB2      GLU   4   7.479  -5.124  -6.126
   29   2HB   GLU   4           HB1      GLU   4   8.647  -6.225  -5.437
   30   1HG   GLU   4           HG2      GLU   4   7.484  -7.871  -6.552
   31   2HG   GLU   4           HG1      GLU   4   6.446  -7.779  -5.174
   32    H    GLN   5           HN       GLN   5   6.219  -3.480  -4.798
   33    HA   GLN   5           HA       GLN   5   8.172  -1.522  -4.329
   34   1HB   GLN   5           HB2      GLN   5   5.232  -1.048  -4.483
   35   2HB   GLN   5           HB1      GLN   5   6.453   0.130  -4.765
   36   1HG   GLN   5           HG2      GLN   5   6.694  -2.387  -6.355
   37   2HG   GLN   5           HG1      GLN   5   5.289  -1.401  -6.753
   38   1HE2  GLN   5          HE22      GLN   5   8.302   0.917  -7.517
   39   2HE2  GLN   5          HE21      GLN   5   7.547   0.829  -5.999
   40    H    CYS   6           HN       CYS   6   5.118  -2.035  -2.745
   41    HA   CYS   6           HA       CYS   6   5.782  -0.362  -0.416
   42   1HB   CYS   6           HB2      CYS   6   3.456  -0.874  -1.752
   43   2HB   CYS   6           HB1      CYS   6   3.406  -2.320  -0.828
   44    H    CYS   7           HN       CYS   7   6.109  -3.670  -0.776
   45    HA   CYS   7           HA       CYS   7   6.416  -4.056   2.035
   46   1HB   CYS   7           HB2      CYS   7   5.444  -5.766   0.635
   47   2HB   CYS   7           HB1      CYS   7   6.846  -5.804  -0.403
   48    H    THR   8           HN       THR   8   8.453  -3.828  -0.839
   49    HA   THR   8           HA       THR   8  10.864  -3.411   0.943
   50    HB   THR   8           HB       THR   8  10.771  -4.344  -2.011
   51    HG1  THR   8           HG1      THR   8  10.485  -5.522   0.394
   52   1HG2  THR   8          HG21      THR   8  12.987  -3.171  -1.146
   53   2HG2  THR   8          HG23      THR   8  12.978  -4.391   0.117
   54   3HG2  THR   8          HG22      THR   8  13.130  -4.875  -1.558
   55    H    SER   9           HN       SER   9  11.263  -2.422  -2.282
   56    HA   SER   9           HA       SER   9  12.247  -0.207  -2.661
   57   1HB   SER   9           HB2      SER   9   9.351  -0.019  -3.397
   58   2HB   SER   9           HB1      SER   9  10.784   0.527  -4.284
   59    HG   SER   9           HG1      SER   9   9.917  -2.142  -3.795
   60    H    ILE  10           HN       ILE  10   9.176   0.362  -1.265
   61    HA   ILE  10           HA       ILE  10   8.713   1.706   0.656
   62    HB   ILE  10           HB       ILE  10   9.995   3.257  -1.228
   63   1HG1  ILE  10          HG12      ILE  10  11.863   3.227   0.145
   64   2HG1  ILE  10          HG11      ILE  10  11.048   4.238   1.292
   65   1HG2  ILE  10          HG22      ILE  10   8.496   4.358   1.239
   66   2HG2  ILE  10          HG21      ILE  10   9.548   5.434   0.329
   67   3HG2  ILE  10          HG23      ILE  10   8.099   4.791  -0.433
   68   1HD1  ILE  10           HD2      ILE  10   9.894   2.256   2.235
   69   2HD1  ILE  10           HD1      ILE  10  10.756   1.285   1.054
   70   3HD1  ILE  10           HD3      ILE  10  11.660   2.135   2.297
   71    H    CYS  11           HN       CYS  11   6.940   2.811   0.842
   72    HA   CYS  11           HA       CYS  11   5.190   3.391  -1.479
   73   1HB   CYS  11           HB2      CYS  11   4.893   1.242  -1.021
   74   2HB   CYS  11           HB1      CYS  11   4.944   1.407   0.709
   75    H    SER  12           HN       SER  12   2.873   3.922  -0.239
   76    HA   SER  12           HA       SER  12   2.376   5.247   1.951
   77   1HB   SER  12           HB2      SER  12   4.476   6.845   1.341
   78   2HB   SER  12           HB1      SER  12   3.409   7.493   0.109
   79    HG   SER  12           HG1      SER  12   3.351   7.969   2.776
   80    H    LEU  13           HN       LEU  13   1.149   7.352   1.301
   81    HA   LEU  13           HA       LEU  13  -1.428   6.921   0.475
   82   1HB   LEU  13           HB2      LEU  13   0.060   9.485  -0.311
   83   2HB   LEU  13           HB1      LEU  13  -1.642   9.306  -0.024
   84    HG   LEU  13           HG       LEU  13   0.520   8.987   2.128
   85   1HD1  LEU  13          HD13      LEU  13  -1.567  11.129   1.584
   86   2HD1  LEU  13          HD12      LEU  13  -0.462  11.093   2.951
   87   3HD1  LEU  13          HD11      LEU  13   0.158  11.301   1.325
   88   1HD2  LEU  13          HD21      LEU  13  -2.544   9.021   2.273
   89   2HD2  LEU  13          HD23      LEU  13  -1.567   7.584   2.522
   90   3HD2  LEU  13          HD22      LEU  13  -1.454   8.917   3.649
   91    OH   TYR  14           OH       TYR  14   1.127  14.063  -3.404
   92    H    TYR  14           HN       TYR  14   0.525   8.554  -1.892
   93    HA   TYR  14           HA       TYR  14  -0.892   8.061  -4.221
   94   1HB   TYR  14           HB2      TYR  14   2.168   8.073  -3.943
   95   2HB   TYR  14           HB1      TYR  14   1.289   8.325  -5.442
   96    HD1  TYR  14           HD1      TYR  14  -0.876  10.029  -3.462
   97    HD2  TYR  14           HD2      TYR  14   3.216  10.271  -4.651
   98    HE1  TYR  14           HE1      TYR  14  -0.896  12.413  -3.063
   99    HE2  TYR  14           HE2      TYR  14   3.152  12.707  -4.237
  100    HH   TYR  14           HH       TYR  14   0.207  14.322  -3.502
  101    H    GLN  15           HN       GLN  15   1.269   5.923  -2.662
  102    HA   GLN  15           HA       GLN  15   1.371   3.815  -4.652
  103   1HB   GLN  15           HB2      GLN  15   2.562   4.340  -2.176
  104   2HB   GLN  15           HB1      GLN  15   1.454   3.081  -1.729
  105   1HG   GLN  15           HG2      GLN  15   3.296   1.715  -2.438
  106   2HG   GLN  15           HG1      GLN  15   2.339   1.847  -3.880
  107   1HE2  GLN  15          HE22      GLN  15   5.227   4.498  -4.200
  108   2HE2  GLN  15          HE21      GLN  15   3.967   4.760  -3.084
  109    H    LEU  16           HN       LEU  16  -0.301   3.702  -1.505
  110    HA   LEU  16           HA       LEU  16  -2.178   1.806  -1.840
  111   1HB   LEU  16           HB2      LEU  16  -2.451   4.648  -0.668
  112   2HB   LEU  16           HB1      LEU  16  -3.587   3.396  -0.295
  113    HG   LEU  16           HG       LEU  16  -0.657   2.660   0.134
  114   1HD1  LEU  16          HD11      LEU  16  -0.892   5.018   1.071
  115   2HD1  LEU  16          HD13      LEU  16  -2.220   4.451   2.055
  116   3HD1  LEU  16          HD12      LEU  16  -0.610   3.808   2.305
  117   1HD2  LEU  16          HD23      LEU  16  -2.725   1.367   0.561
  118   2HD2  LEU  16          HD22      LEU  16  -1.714   1.523   1.996
  119   3HD2  LEU  16          HD21      LEU  16  -3.183   2.481   1.811
  120    H    GLU  17           HN       GLU  17  -2.740   5.106  -2.729
  121    HA   GLU  17           HA       GLU  17  -5.149   4.993  -3.982
  122   1HB   GLU  17           HB2      GLU  17  -2.728   6.690  -4.737
  123   2HB   GLU  17           HB1      GLU  17  -4.341   7.104  -5.234
  124   1HG   GLU  17           HG2      GLU  17  -4.976   7.660  -2.948
  125   2HG   GLU  17           HG1      GLU  17  -3.580   6.867  -2.269
  126    H    ASN  18           HN       ASN  18  -2.222   5.105  -5.835
  127    HA   ASN  18           HA       ASN  18  -3.392   4.376  -8.394
  128   1HB   ASN  18           HB2      ASN  18  -0.566   4.762  -7.440
  129   2HB   ASN  18           HB1      ASN  18  -1.027   4.480  -9.120
  130   1HD2  ASN  18          HD22      ASN  18  -1.842   8.042  -7.473
  131   2HD2  ASN  18          HD21      ASN  18  -1.191   6.796  -6.513
  132    OH   TYR  19           OH       TYR  19   4.447   0.783  -7.002
  133    H    TYR  19           HN       TYR  19  -2.321   2.476  -5.811
  134    HA   TYR  19           HA       TYR  19  -1.816   0.048  -7.477
  135   1HB   TYR  19           HB2      TYR  19  -1.126   0.797  -4.606
  136   2HB   TYR  19           HB1      TYR  19  -1.050  -0.858  -5.164
  137    HD1  TYR  19           HD2      TYR  19   0.029   1.259  -7.881
  138    HD2  TYR  19           HD1      TYR  19   1.220  -0.456  -4.165
  139    HE1  TYR  19           HE2      TYR  19   2.401   1.502  -8.487
  140    HE2  TYR  19           HE1      TYR  19   3.529  -0.193  -4.793
  141    HH   TYR  19           HH       TYR  19   4.747   1.353  -6.275
  142    H    CYS  20           HN       CYS  20  -4.307   1.240  -5.289
  143    HA   CYS  20           HA       CYS  20  -5.405  -1.559  -5.227
  144   1HB   CYS  20           HB2      CYS  20  -6.269  -0.990  -3.211
  145   2HB   CYS  20           HB1      CYS  20  -5.093   0.270  -3.247
  146    H    ASN  21           HN       ASN  21  -8.022   0.048  -4.733
  147    HA   ASN  21           HA       ASN  21 -10.085   0.056  -5.665
  148   1HB   ASN  21           HB2      ASN  21 -10.230   1.650  -7.667
  149   2HB   ASN  21           HB1      ASN  21  -9.550   2.364  -6.242
  150   1HD2  ASN  21          HD22      ASN  21  -6.814   1.587  -9.109
  151   2HD2  ASN  21          HD21      ASN  21  -7.854   0.344  -8.573
  152   1H    PHE   1           HT2      PHE   1   6.618  12.690  -0.509
  153   2H    PHE   1           HT1      PHE   1   5.671  13.911   0.146
  154   3H    PHE   1           HT3      PHE   1   7.364  13.993   0.284
  155    HA   PHE   1           HA       PHE   1   7.277  12.806   2.230
  156   1HB   PHE   1           HB2      PHE   1   4.961  12.259   3.197
  157   2HB   PHE   1           HB1      PHE   1   4.833  13.851   2.462
  158    HD1  PHE   1           HD1      PHE   1   3.857  14.059   0.110
  159    HD2  PHE   1           HD2      PHE   1   3.939  10.341   2.226
  160    HE1  PHE   1           HE1      PHE   1   2.340  13.086  -1.494
  161    HE2  PHE   1           HE2      PHE   1   2.404   9.398   0.616
  162    HZ   PHE   1           HZ       PHE   1   1.578  10.781  -1.274
  163    H    VAL   2           HN       VAL   2   6.556  10.350   3.029
  164    HA   VAL   2           HA       VAL   2   6.149   8.504   0.810
  165    HB   VAL   2           HB       VAL   2   8.144   7.277   1.204
  166   1HG1  VAL   2          HG12      VAL   2   8.455   9.005  -0.458
  167   2HG1  VAL   2          HG11      VAL   2   8.974  10.157   0.757
  168   3HG1  VAL   2          HG13      VAL   2   9.958   8.761   0.403
  169   1HG2  VAL   2          HG23      VAL   2   8.600   7.827   3.683
  170   2HG2  VAL   2          HG22      VAL   2  10.024   8.137   2.723
  171   3HG2  VAL   2          HG21      VAL   2   9.004   9.463   3.217
  172    H    ASN   3           HN       ASN   3   7.216   6.418   2.833
  173    HA   ASN   3           HA       ASN   3   5.409   6.949   4.975
  174   1HB   ASN   3           HB2      ASN   3   4.103   5.706   3.186
  175   2HB   ASN   3           HB1      ASN   3   5.191   4.338   3.308
  176   1HD2  ASN   3          HD22      ASN   3   3.501   3.090   6.097
  177   2HD2  ASN   3          HD21      ASN   3   4.826   2.864   5.062
  178    H    GLN   4           HN       GLN   4   7.133   4.263   3.865
  179    HA   GLN   4           HA       GLN   4   9.310   3.470   4.862
  180   1HB   GLN   4           HB2      GLN   4   7.431   3.516   7.304
  181   2HB   GLN   4           HB1      GLN   4   8.826   2.462   7.272
  182   1HG   GLN   4           HG2      GLN   4  10.381   4.295   7.172
  183   2HG   GLN   4           HG1      GLN   4   9.147   5.467   6.751
  184   1HE2  GLN   4          HE22      GLN   4   8.041   5.836  10.051
  185   2HE2  GLN   4          HE21      GLN   4   7.558   5.876   8.396
  186    H    HIS   5           HN       HIS   5   9.397   1.057   4.947
  187    HA   HIS   5           HA       HIS   5   7.686  -0.214   3.255
  188   1HB   HIS   5           HB2      HIS   5   8.957  -1.778   5.466
  189   2HB   HIS   5           HB1      HIS   5   8.602  -2.229   3.790
  190    HD1  HIS   5           HD1      HIS   5   9.972  -1.015   1.998
  191    HD2  HIS   5           HD2      HIS   5  11.180  -0.382   5.784
  192    HE1  HIS   5           HE1      HIS   5  12.175   0.007   1.794
  193    H    LEU   6           HN       LEU   6   5.976  -1.601   3.351
  194    HA   LEU   6           HA       LEU   6   4.247  -1.596   5.796
  195   1HB   LEU   6           HB2      LEU   6   3.435  -1.374   2.922
  196   2HB   LEU   6           HB1      LEU   6   2.402  -1.448   4.332
  197    HG   LEU   6           HG       LEU   6   3.974   0.572   5.197
  198   1HD1  LEU   6          HD13      LEU   6   5.282   0.582   3.039
  199   2HD1  LEU   6          HD12      LEU   6   3.765   0.868   2.206
  200   3HD1  LEU   6          HD11      LEU   6   4.401   2.073   3.297
  201   1HD2  LEU   6          HD22      LEU   6   1.639   0.850   3.267
  202   2HD2  LEU   6          HD21      LEU   6   1.496   0.575   5.002
  203   3HD2  LEU   6          HD23      LEU   6   2.191   2.069   4.407
  204    H    CYS   7           HN       CYS   7   5.134  -3.598   3.137
  205    HA   CYS   7           HA       CYS   7   4.566  -5.838   2.533
  206   1HB   CYS   7           HB2      CYS   7   5.884  -5.978   5.236
  207   2HB   CYS   7           HB1      CYS   7   5.643  -7.379   4.228
  208    H    GLY   8           HN       GLY   8   3.760  -6.041   5.940
  209   1HA   GLY   8           HA2      GLY   8   1.333  -7.707   5.215
  210   2HA   GLY   8           HA1      GLY   8   2.260  -7.986   6.680
  211    H    SER   9           HN       SER   9   1.253  -7.243   8.454
  212    HA   SER   9           HA       SER   9  -1.109  -6.048   8.868
  213   1HB   SER   9           HB2      SER   9   1.363  -5.078  10.381
  214   2HB   SER   9           HB1      SER   9  -0.307  -5.095  10.967
  215    HG   SER   9           HG1      SER   9   0.084  -7.211  11.432
  216    H    HIS  10           HN       HIS  10   1.678  -3.968   8.799
  217    HA   HIS  10           HA       HIS  10   0.483  -1.498   8.741
  218   1HB   HIS  10           HB2      HIS  10   3.001  -2.166   8.930
  219   2HB   HIS  10           HB1      HIS  10   3.019  -2.257   7.185
  220    HD1  HIS  10           HD1      HIS  10   4.742  -0.142   7.366
  221    HD2  HIS  10           HD2      HIS  10   0.912   0.591   8.593
  222    HE1  HIS  10           HE1      HIS  10   4.521   2.300   7.535
  223    H    LEU  11           HN       LEU  11   1.559  -3.248   5.925
  224    HA   LEU  11           HA       LEU  11   0.520  -1.582   3.870
  225   1HB   LEU  11           HB2      LEU  11   2.209  -3.607   3.709
  226   2HB   LEU  11           HB1      LEU  11   0.855  -4.674   3.687
  227    HG   LEU  11           HG       LEU  11   1.075  -2.320   1.867
  228   1HD1  LEU  11          HD12      LEU  11   2.263  -5.127   1.469
  229   2HD1  LEU  11          HD11      LEU  11   2.188  -3.897   0.217
  230   3HD1  LEU  11          HD13      LEU  11   3.190  -3.643   1.630
  231   1HD2  LEU  11          HD21      LEU  11  -1.048  -3.759   1.925
  232   2HD2  LEU  11          HD23      LEU  11  -0.259  -3.895   0.367
  233   3HD2  LEU  11          HD22      LEU  11  -0.085  -5.168   1.560
  234    H    VAL  12           HN       VAL  12  -0.951  -4.512   5.059
  235    HA   VAL  12           HA       VAL  12  -3.330  -4.161   3.512
  236    HB   VAL  12           HB       VAL  12  -4.455  -5.771   5.125
  237   1HG1  VAL  12          HG11      VAL  12  -2.991  -6.661   3.345
  238   2HG1  VAL  12          HG13      VAL  12  -1.589  -6.522   4.396
  239   3HG1  VAL  12          HG12      VAL  12  -2.865  -7.666   4.780
  240   1HG2  VAL  12          HG22      VAL  12  -3.403  -5.014   7.264
  241   2HG2  VAL  12          HG21      VAL  12  -3.168  -6.730   7.006
  242   3HG2  VAL  12          HG23      VAL  12  -1.858  -5.614   6.686
  243    H    GLU  13           HN       GLU  13  -2.772  -3.109   6.910
  244    HA   GLU  13           HA       GLU  13  -5.325  -1.971   7.403
  245   1HB   GLU  13           HB2      GLU  13  -2.988  -2.318   8.790
  246   2HB   GLU  13           HB1      GLU  13  -2.874  -0.600   8.445
  247   1HG   GLU  13           HG2      GLU  13  -5.211  -1.993   9.821
  248   2HG   GLU  13           HG1      GLU  13  -4.092  -0.857  10.552
  249    H    ALA  14           HN       ALA  14  -2.415  -0.248   6.365
  250    HA   ALA  14           HA       ALA  14  -3.520   2.268   5.821
  251   1HB   ALA  14           HB2      ALA  14  -1.616   0.741   4.100
  252   2HB   ALA  14           HB1      ALA  14  -1.864   2.504   4.083
  253   3HB   ALA  14           HB3      ALA  14  -1.174   1.707   5.532
  254    H    LEU  15           HN       LEU  15  -3.204  -0.406   3.454
  255    HA   LEU  15           HA       LEU  15  -4.714   0.871   1.510
  256   1HB   LEU  15           HB2      LEU  15  -3.960  -1.921   2.330
  257   2HB   LEU  15           HB1      LEU  15  -5.196  -1.861   1.123
  258    HG   LEU  15           HG       LEU  15  -2.438  -0.418   0.818
  259   1HD1  LEU  15          HD11      LEU  15  -2.538  -2.951   0.956
  260   2HD1  LEU  15          HD13      LEU  15  -3.676  -2.948  -0.364
  261   3HD1  LEU  15          HD12      LEU  15  -2.038  -2.366  -0.612
  262   1HD2  LEU  15          HD21      LEU  15  -4.527   0.507  -0.449
  263   2HD2  LEU  15          HD23      LEU  15  -3.264  -0.129  -1.452
  264   3HD2  LEU  15          HD22      LEU  15  -4.704  -1.085  -1.146
  265    OH   TYR  16           OH       TYR  16  -9.893  -6.707   5.998
  266    H    TYR  16           HN       TYR  16  -5.858  -1.477   3.814
  267    HA   TYR  16           HA       TYR  16  -8.463  -1.721   3.645
  268   1HB   TYR  16           HB2      TYR  16  -6.601  -1.673   5.815
  269   2HB   TYR  16           HB1      TYR  16  -8.050  -0.935   6.421
  270    HD1  TYR  16           HD1      TYR  16 -10.234  -2.241   5.383
  271    HD2  TYR  16           HD2      TYR  16  -6.396  -3.862   6.117
  272    HE1  TYR  16           HE1      TYR  16 -11.213  -4.466   5.522
  273    HE2  TYR  16           HE2      TYR  16  -7.351  -6.098   6.263
  274    HH   TYR  16           HH       TYR  16 -10.502  -6.686   6.737
  275    H    LEU  17           HN       LEU  17  -7.087   1.012   4.967
  276    HA   LEU  17           HA       LEU  17  -9.700   2.505   4.822
  277   1HB   LEU  17           HB2      LEU  17  -7.279   3.651   6.194
  278   2HB   LEU  17           HB1      LEU  17  -8.960   3.947   6.591
  279    HG   LEU  17           HG       LEU  17  -7.297   1.590   6.782
  280   1HD1  LEU  17          HD11      LEU  17  -8.318   3.514   8.959
  281   2HD1  LEU  17          HD13      LEU  17  -7.468   2.022   9.327
  282   3HD1  LEU  17          HD12      LEU  17  -6.647   3.271   8.443
  283   1HD2  LEU  17          HD22      LEU  17  -9.739   0.891   6.693
  284   2HD2  LEU  17          HD21      LEU  17  -9.133   0.624   8.314
  285   3HD2  LEU  17          HD23      LEU  17 -10.125   2.037   7.971
  286    H    VAL  18           HN       VAL  18  -6.354   3.224   4.329
  287    HA   VAL  18           HA       VAL  18  -6.843   5.723   3.517
  288    HB   VAL  18           HB       VAL  18  -4.566   3.939   2.476
  289   1HG1  VAL  18          HG13      VAL  18  -4.792   6.997   2.476
  290   2HG1  VAL  18          HG12      VAL  18  -3.345   6.132   2.025
  291   3HG1  VAL  18          HG11      VAL  18  -4.782   5.996   1.049
  292   1HG2  VAL  18          HG23      VAL  18  -4.627   5.992   4.741
  293   2HG2  VAL  18          HG22      VAL  18  -4.634   4.252   4.974
  294   3HG2  VAL  18          HG21      VAL  18  -3.229   5.036   4.274
  295    H    CYS  19           HN       CYS  19  -6.954   2.853   1.795
  296    HA   CYS  19           HA       CYS  19  -7.832   4.158  -0.765
  297   1HB   CYS  19           HB2      CYS  19  -5.621   2.662  -0.301
  298   2HB   CYS  19           HB1      CYS  19  -6.748   1.387  -0.664
  299    H    GLY  20           HN       GLY  20  -8.346   1.376   1.202
  300   1HA   GLY  20           HA2      GLY  20 -10.133  -0.299   0.404
  301   2HA   GLY  20           HA1      GLY  20 -10.471   0.482   1.922
  302    H    GLU  21           HN       GLU  21 -11.520   2.799   1.213
  303    HA   GLU  21           HA       GLU  21 -14.124   2.071   0.445
  304   1HB   GLU  21           HB2      GLU  21 -13.385   3.768   2.141
  305   2HB   GLU  21           HB1      GLU  21 -12.919   4.827   0.833
  306   1HG   GLU  21           HG2      GLU  21 -15.237   5.054   0.072
  307   2HG   GLU  21           HG1      GLU  21 -15.780   3.694   1.037
  308    NH1  ARG  22           NH1      ARG  22  -7.302   2.805  -5.432
  309    NH2  ARG  22           NH2      ARG  22  -7.267   4.922  -4.990
  310    H    ARG  22           HN       ARG  22 -13.164   1.201  -1.673
  311    HA   ARG  22           HA       ARG  22 -14.377   2.373  -3.944
  312   1HB   ARG  22           HB2      ARG  22 -12.479   3.234  -5.249
  313   2HB   ARG  22           HB1      ARG  22 -12.585   4.107  -3.743
  314   1HG   ARG  22           HG2      ARG  22 -10.829   2.434  -2.848
  315   2HG   ARG  22           HG1      ARG  22 -10.568   1.955  -4.502
  316   1HD   ARG  22           HD2      ARG  22 -10.226   4.424  -5.096
  317   2HD   ARG  22           HD1      ARG  22 -10.333   4.769  -3.360
  318    HE   ARG  22           HE       ARG  22  -8.321   3.178  -3.074
  319   1HH1  ARG  22          HH11      ARG  22  -7.679   1.909  -5.250
  320   2HH1  ARG  22          HH12      ARG  22  -6.599   2.940  -6.126
  321   1HH2  ARG  22          HH21      ARG  22  -7.613   5.668  -4.439
  322   2HH2  ARG  22          HH22      ARG  22  -6.574   5.024  -5.697
  323    H    GLY  23           HN       GLY  23 -11.533   0.270  -3.196
  324   1HA   GLY  23           HA2      GLY  23 -12.508  -2.106  -4.343
  325   2HA   GLY  23           HA1      GLY  23 -11.614  -1.298  -5.633
  326    H    PHE  24           HN       PHE  24  -9.836  -3.120  -5.276
  327    HA   PHE  24           HA       PHE  24  -8.165  -2.055  -3.160
  328   1HB   PHE  24           HB2      PHE  24  -9.858  -4.236  -2.494
  329   2HB   PHE  24           HB1      PHE  24  -8.234  -4.904  -2.368
  330    HD1  PHE  24           HD2      PHE  24  -6.827  -2.116  -1.814
  331    HD2  PHE  24           HD1      PHE  24 -10.260  -4.030  -0.117
  332    HE1  PHE  24           HE2      PHE  24  -6.547  -0.777   0.104
  333    HE2  PHE  24           HE1      PHE  24  -9.894  -2.609   1.894
  334    HZ   PHE  24           HZ       PHE  24  -8.119  -1.027   1.885
  335    OH   TYR  25           OH       TYR  25   1.336  -2.060  -1.833
  336    H    TYR  25           HN       TYR  25  -6.422  -3.667  -2.301
  337    HA   TYR  25           HA       TYR  25  -4.746  -4.997  -4.302
  338   1HB   TYR  25           HB2      TYR  25  -3.889  -2.955  -4.796
  339   2HB   TYR  25           HB1      TYR  25  -4.495  -2.200  -3.353
  340    HD1  TYR  25           HD2      TYR  25  -1.891  -4.918  -3.030
  341    HD2  TYR  25           HD1      TYR  25  -2.726  -0.764  -3.282
  342    HE1  TYR  25           HE2      TYR  25   0.341  -4.411  -2.205
  343    HE2  TYR  25           HE1      TYR  25  -0.452  -0.282  -2.448
  344    HH   TYR  25           HH       TYR  25   1.274  -1.543  -1.019
  345    H    THR  26           HN       THR  26  -3.241  -6.401  -3.310
  346    HA   THR  26           HA       THR  26  -3.277  -6.591  -0.324
  347    HB   THR  26           HB       THR  26  -3.349  -9.154  -0.614
  348    HG1  THR  26           HG1      THR  26  -2.511  -9.339  -2.622
  349   1HG2  THR  26          HG22      THR  26  -5.589  -7.780  -0.609
  350   2HG2  THR  26          HG21      THR  26  -5.447  -7.765  -2.357
  351   3HG2  THR  26          HG23      THR  26  -5.633  -9.288  -1.519
  352    HA   PRO  27           HA       PRO  27   1.129  -7.858  -0.711
  353   1HB   PRO  27           HB2      PRO  27   0.162 -10.225   0.937
  354   2HB   PRO  27           HB1      PRO  27   1.663  -9.306   1.112
  355   1HG   PRO  27           HG2      PRO  27  -0.273  -8.666   2.806
  356   2HG   PRO  27           HG1      PRO  27   0.486  -7.329   1.943
  357   1HD   PRO  27           HD2      PRO  27  -2.127  -8.762   1.209
  358   2HD   PRO  27           HD1      PRO  27  -1.852  -7.008   1.401
  359    H    LYS  28           HN       LYS  28   2.310  -9.765  -1.605
  360    HA   LYS  28           HA       LYS  28   1.368 -11.984  -2.912
  361   1HB   LYS  28           HB2      LYS  28   0.002 -10.923  -4.471
  362   2HB   LYS  28           HB1      LYS  28   0.845  -9.417  -4.446
  363   1HG   LYS  28           HG2      LYS  28   2.060 -11.921  -5.751
  364   2HG   LYS  28           HG1      LYS  28   0.965 -10.873  -6.645
  365   1HD   LYS  28           HD2      LYS  28   2.468  -8.923  -6.237
  366   2HD   LYS  28           HD1      LYS  28   3.496  -9.854  -5.250
  367   1HE   LYS  28           HE2      LYS  28   4.003 -11.415  -7.144
  368   2HE   LYS  28           HE1      LYS  28   3.368 -10.144  -8.194
  369   1HZ   LYS  28           HZ3      LYS  28   5.049  -8.982  -6.215
  370   2HZ   LYS  28           HZ2      LYS  28   5.852 -10.247  -6.774
  371   3HZ   LYS  28           HZ1      LYS  28   5.385  -8.974  -7.832
  372    H    THR  29           HN       THR  29   3.478  -9.349  -3.033
  373    HA   THR  29           HA       THR  29   5.705  -8.921  -3.512
  374    HB   THR  29           HB       THR  29   7.297 -10.396  -2.524
  375    HG1  THR  29           HG1      THR  29   5.544 -12.170  -3.062
  376   1HG2  THR  29          HG23      THR  29   4.764 -10.257  -0.816
  377   2HG2  THR  29          HG22      THR  29   6.395 -10.480  -0.212
  378   3HG2  THR  29          HG21      THR  29   5.941  -8.940  -0.930
   
  Start of MODEL           5
 Raw file had  378 H/Q atoms
  Start of MODEL    5
    1   1H    GLY   1           HT3      GLY   1   5.269  -8.061  -5.860
    2   2H    GLY   1           HT2      GLY   1   4.335  -8.798  -7.026
    3   3H    GLY   1           HT1      GLY   1   5.999  -8.620  -7.243
    4   1HA   GLY   1           HA1      GLY   1   5.920  -6.532  -7.968
    5   2HA   GLY   1           HA2      GLY   1   4.239  -6.869  -8.303
    6    H    ILE   2           HN       ILE   2   2.690  -5.936  -7.014
    7    HA   ILE   2           HA       ILE   2   2.865  -3.330  -6.137
    8    HB   ILE   2           HB       ILE   2   0.853  -4.736  -6.699
    9   1HG1  ILE   2          HG12      ILE   2  -0.690  -3.951  -4.815
   10   2HG1  ILE   2          HG11      ILE   2   0.741  -3.252  -4.080
   11   1HG2  ILE   2          HG22      ILE   2   1.393  -6.798  -5.346
   12   2HG2  ILE   2          HG21      ILE   2   1.001  -5.868  -3.895
   13   3HG2  ILE   2          HG23      ILE   2  -0.230  -6.183  -5.082
   14   1HD1  ILE   2           HD3      ILE   2  -0.191  -2.736  -6.942
   15   2HD1  ILE   2           HD2      ILE   2  -0.451  -1.697  -5.575
   16   3HD1  ILE   2           HD1      ILE   2   1.181  -1.966  -6.158
   17    H    VAL   3           HN       VAL   3   2.815  -6.025  -4.016
   18    HA   VAL   3           HA       VAL   3   3.415  -4.616  -1.614
   19    HB   VAL   3           HB       VAL   3   4.254  -7.480  -2.029
   20   1HG1  VAL   3          HG11      VAL   3   4.641  -6.508   0.178
   21   2HG1  VAL   3          HG13      VAL   3   2.921  -6.204   0.355
   22   3HG1  VAL   3          HG12      VAL   3   3.510  -7.842   0.261
   23   1HG2  VAL   3          HG21      VAL   3   1.416  -6.503  -1.623
   24   2HG2  VAL   3          HG23      VAL   3   1.997  -7.414  -3.014
   25   3HG2  VAL   3          HG22      VAL   3   1.963  -8.170  -1.432
   26    H    GLU   4           HN       GLU   4   5.427  -6.602  -3.667
   27    HA   GLU   4           HA       GLU   4   7.846  -6.397  -2.449
   28   1HB   GLU   4           HB2      GLU   4   7.321  -5.918  -5.391
   29   2HB   GLU   4           HB1      GLU   4   8.920  -6.066  -4.740
   30   1HG   GLU   4           HG2      GLU   4   8.744  -8.336  -4.284
   31   2HG   GLU   4           HG1      GLU   4   7.026  -8.282  -3.969
   32    H    GLN   5           HN       GLN   5   6.316  -4.076  -4.478
   33    HA   GLN   5           HA       GLN   5   7.978  -1.883  -4.690
   34   1HB   GLN   5           HB2      GLN   5   5.659  -2.282  -5.730
   35   2HB   GLN   5           HB1      GLN   5   5.064  -1.340  -4.377
   36   1HG   GLN   5           HG2      GLN   5   5.690   0.333  -6.064
   37   2HG   GLN   5           HG1      GLN   5   6.964   0.397  -4.869
   38   1HE2  GLN   5          HE22      GLN   5   7.642  -1.147  -8.489
   39   2HE2  GLN   5          HE21      GLN   5   6.070  -0.708  -7.941
   40    H    CYS   6           HN       CYS   6   5.170  -1.951  -2.582
   41    HA   CYS   6           HA       CYS   6   6.194   0.231  -0.820
   42   1HB   CYS   6           HB2      CYS   6   3.783  -1.613  -0.951
   43   2HB   CYS   6           HB1      CYS   6   3.875  -0.411   0.322
   44    H    CYS   7           HN       CYS   7   6.450  -3.222  -0.393
   45    HA   CYS   7           HA       CYS   7   7.155  -3.082   2.339
   46   1HB   CYS   7           HB2      CYS   7   7.238  -5.068   0.154
   47   2HB   CYS   7           HB1      CYS   7   8.279  -5.385   1.535
   48    H    THR   8           HN       THR   8   9.040  -3.190  -0.696
   49    HA   THR   8           HA       THR   8  11.449  -2.236   0.868
   50    HB   THR   8           HB       THR   8  12.859  -3.475  -0.924
   51    HG1  THR   8           HG1      THR   8  10.347  -4.061  -1.748
   52   1HG2  THR   8          HG23      THR   8  10.984  -4.946   0.966
   53   2HG2  THR   8          HG22      THR   8  12.557  -5.516   0.405
   54   3HG2  THR   8          HG21      THR   8  12.446  -4.127   1.488
   55    H    SER   9           HN       SER   9   9.787  -1.554  -2.140
   56    HA   SER   9           HA       SER   9  11.967   0.127  -2.978
   57   1HB   SER   9           HB2      SER   9   9.241   0.007  -4.174
   58   2HB   SER   9           HB1      SER   9  10.704   0.705  -4.891
   59    HG   SER   9           HG1      SER   9  10.105  -1.514  -5.487
   60    H    ILE  10           HN       ILE  10   9.476   0.312  -1.065
   61    HA   ILE  10           HA       ILE  10   8.503   1.842   0.359
   62    HB   ILE  10           HB       ILE  10  10.704   2.893  -0.661
   63   1HG1  ILE  10          HG12      ILE  10  10.484   4.584   1.236
   64   2HG1  ILE  10          HG11      ILE  10   8.858   3.959   1.502
   65   1HG2  ILE  10          HG21      ILE  10   9.380   4.254  -2.193
   66   2HG2  ILE  10          HG23      ILE  10   8.465   4.932  -0.834
   67   3HG2  ILE  10          HG22      ILE  10  10.202   5.280  -1.007
   68   1HD1  ILE  10           HD1      ILE  10  11.419   2.307   1.366
   69   2HD1  ILE  10           HD3      ILE  10  10.592   2.639   2.869
   70   3HD1  ILE  10           HD2      ILE  10   9.859   1.612   1.675
   71    H    CYS  11           HN       CYS  11   6.910   3.288   0.597
   72    HA   CYS  11           HA       CYS  11   5.107   3.562  -1.781
   73   1HB   CYS  11           HB2      CYS  11   4.866   1.777   0.174
   74   2HB   CYS  11           HB1      CYS  11   4.024   3.083   0.949
   75    H    SER  12           HN       SER  12   3.273   5.086  -1.440
   76    HA   SER  12           HA       SER  12   3.590   7.333   0.331
   77   1HB   SER  12           HB2      SER  12   3.656   8.984  -1.576
   78   2HB   SER  12           HB1      SER  12   5.064   7.916  -1.686
   79    HG   SER  12           HG1      SER  12   4.239   7.392  -3.596
   80    H    LEU  13           HN       LEU  13   1.772   8.757  -0.234
   81    HA   LEU  13           HA       LEU  13  -0.707   7.506   0.051
   82   1HB   LEU  13           HB2      LEU  13  -0.213  10.307  -1.126
   83   2HB   LEU  13           HB1      LEU  13  -1.732   9.738  -0.538
   84    HG   LEU  13           HG       LEU  13  -0.795  11.238   1.087
   85   1HD1  LEU  13          HD13      LEU  13  -2.047   9.292   1.940
   86   2HD1  LEU  13          HD12      LEU  13  -0.563   8.360   2.059
   87   3HD1  LEU  13          HD11      LEU  13  -0.800   9.767   3.079
   88   1HD2  LEU  13          HD23      LEU  13   1.615  10.945   0.530
   89   2HD2  LEU  13          HD22      LEU  13   1.269  10.855   2.249
   90   3HD2  LEU  13          HD21      LEU  13   1.594   9.383   1.370
   91    OH   TYR  14           OH       TYR  14   2.635  13.081  -1.450
   92    H    TYR  14           HN       TYR  14   0.364   9.278  -2.641
   93    HA   TYR  14           HA       TYR  14  -1.333   8.664  -4.744
   94   1HB   TYR  14           HB2      TYR  14   1.582   8.680  -5.566
   95   2HB   TYR  14           HB1      TYR  14   0.287   9.775  -6.039
   96    HD1  TYR  14           HD1      TYR  14  -0.679  11.160  -3.881
   97    HD2  TYR  14           HD2      TYR  14   3.291   9.716  -4.359
   98    HE1  TYR  14           HE1      TYR  14   0.124  12.807  -2.242
   99    HE2  TYR  14           HE2      TYR  14   4.079  11.380  -2.707
  100    HH   TYR  14           HH       TYR  14   2.290  13.934  -1.729
  101    H    GLN  15           HN       GLN  15   1.422   6.808  -3.612
  102    HA   GLN  15           HA       GLN  15   1.251   4.635  -5.483
  103   1HB   GLN  15           HB2      GLN  15   3.001   5.260  -3.522
  104   2HB   GLN  15           HB1      GLN  15   1.968   4.241  -2.549
  105   1HG   GLN  15           HG2      GLN  15   3.185   2.463  -3.282
  106   2HG   GLN  15           HG1      GLN  15   2.218   2.613  -4.729
  107   1HE2  GLN  15          HE22      GLN  15   5.748   4.385  -5.250
  108   2HE2  GLN  15          HE21      GLN  15   4.686   4.997  -4.063
  109    H    LEU  16           HN       LEU  16   0.125   4.610  -2.105
  110    HA   LEU  16           HA       LEU  16  -1.508   2.483  -1.953
  111   1HB   LEU  16           HB2      LEU  16  -2.221   5.241  -0.862
  112   2HB   LEU  16           HB1      LEU  16  -2.897   3.741  -0.288
  113    HG   LEU  16           HG       LEU  16   0.070   4.223  -0.399
  114   1HD1  LEU  16          HD13      LEU  16  -1.089   5.838   1.214
  115   2HD1  LEU  16          HD12      LEU  16  -1.879   4.464   1.963
  116   3HD1  LEU  16          HD11      LEU  16  -0.137   4.659   2.098
  117   1HD2  LEU  16          HD21      LEU  16  -1.535   2.197   1.094
  118   2HD2  LEU  16          HD23      LEU  16  -0.457   1.928  -0.276
  119   3HD2  LEU  16          HD22      LEU  16   0.196   2.443   1.250
  120    H    GLU  17           HN       GLU  17  -2.597   5.623  -2.993
  121    HA   GLU  17           HA       GLU  17  -5.172   5.270  -3.867
  122   1HB   GLU  17           HB2      GLU  17  -2.917   7.023  -4.973
  123   2HB   GLU  17           HB1      GLU  17  -4.569   7.273  -5.447
  124   1HG   GLU  17           HG2      GLU  17  -5.175   7.963  -3.177
  125   2HG   GLU  17           HG1      GLU  17  -3.666   7.370  -2.515
  126    H    ASN  18           HN       ASN  18  -2.461   5.219  -6.042
  127    HA   ASN  18           HA       ASN  18  -3.846   4.017  -8.308
  128   1HB   ASN  18           HB2      ASN  18  -0.949   4.627  -7.704
  129   2HB   ASN  18           HB1      ASN  18  -1.506   3.971  -9.246
  130   1HD2  ASN  18          HD22      ASN  18  -2.401   7.778  -8.354
  131   2HD2  ASN  18          HD21      ASN  18  -1.712   6.789  -7.148
  132    OH   TYR  19           OH       TYR  19   3.956   0.525  -7.607
  133    H    TYR  19           HN       TYR  19  -2.548   2.695  -5.550
  134    HA   TYR  19           HA       TYR  19  -2.233  -0.082  -6.615
  135   1HB   TYR  19           HB2      TYR  19  -1.028   1.448  -4.247
  136   2HB   TYR  19           HB1      TYR  19  -1.019  -0.287  -4.253
  137    HD1  TYR  19           HD2      TYR  19  -0.538   1.055  -7.615
  138    HD2  TYR  19           HD1      TYR  19   1.392   0.120  -3.935
  139    HE1  TYR  19           HE2      TYR  19   1.658   1.003  -8.749
  140    HE2  TYR  19           HE1      TYR  19   3.552   0.078  -5.100
  141    HH   TYR  19           HH       TYR  19   4.355   1.250  -7.106
  142    H    CYS  20           HN       CYS  20  -4.516   1.702  -5.612
  143    HA   CYS  20           HA       CYS  20  -5.920  -0.316  -3.910
  144   1HB   CYS  20           HB2      CYS  20  -5.535   1.624  -2.605
  145   2HB   CYS  20           HB1      CYS  20  -5.787   2.684  -3.950
  146    H    ASN  21           HN       ASN  21  -7.941  -0.798  -4.468
  147    HA   ASN  21           HA       ASN  21 -10.037  -0.401  -5.641
  148   1HB   ASN  21           HB2      ASN  21  -9.631  -1.110  -8.205
  149   2HB   ASN  21           HB1      ASN  21  -9.486   0.581  -7.985
  150   1HD2  ASN  21          HD22      ASN  21  -5.867  -1.150  -8.094
  151   2HD2  ASN  21          HD21      ASN  21  -6.983  -1.601  -6.869
  152   1H    PHE   1           HT1      PHE   1   7.008  12.159   4.316
  153   2H    PHE   1           HT3      PHE   1   6.564  12.053   2.701
  154   3H    PHE   1           HT2      PHE   1   5.844  13.230   3.704
  155    HA   PHE   1           HA       PHE   1   4.255  11.756   4.369
  156   1HB   PHE   1           HB2      PHE   1   4.330  10.909   2.030
  157   2HB   PHE   1           HB1      PHE   1   5.798  10.007   2.298
  158    HD1  PHE   1           HD1      PHE   1   2.443  10.204   4.037
  159    HD2  PHE   1           HD2      PHE   1   5.442   7.736   2.246
  160    HE1  PHE   1           HE1      PHE   1   1.133   8.213   4.555
  161    HE2  PHE   1           HE2      PHE   1   4.115   5.762   2.775
  162    HZ   PHE   1           HZ       PHE   1   1.960   5.987   3.929
  163    H    VAL   2           HN       VAL   2   4.776   8.749   5.064
  164    HA   VAL   2           HA       VAL   2   6.427   9.346   7.500
  165    HB   VAL   2           HB       VAL   2   4.066   8.421   7.563
  166   1HG1  VAL   2          HG12      VAL   2   4.195   6.842   5.640
  167   2HG1  VAL   2          HG11      VAL   2   5.393   5.887   6.493
  168   3HG1  VAL   2          HG13      VAL   2   3.762   5.989   7.102
  169   1HG2  VAL   2          HG21      VAL   2   5.614   8.083   9.504
  170   2HG2  VAL   2          HG23      VAL   2   4.581   6.680   9.303
  171   3HG2  VAL   2          HG22      VAL   2   6.243   6.628   8.759
  172    H    ASN   3           HN       ASN   3   6.865   8.554   4.635
  173    HA   ASN   3           HA       ASN   3   7.987   6.875   3.385
  174   1HB   ASN   3           HB2      ASN   3   9.799   8.939   4.728
  175   2HB   ASN   3           HB1      ASN   3  10.330   8.034   3.331
  176   1HD2  ASN   3          HD22      ASN   3   8.817  10.257   1.160
  177   2HD2  ASN   3          HD21      ASN   3  10.006   9.085   1.455
  178    H    GLN   4           HN       GLN   4   7.527   5.239   5.347
  179    HA   GLN   4           HA       GLN   4  10.036   3.731   5.875
  180   1HB   GLN   4           HB2      GLN   4   8.914   5.063   7.891
  181   2HB   GLN   4           HB1      GLN   4   7.717   3.789   7.809
  182   1HG   GLN   4           HG2      GLN   4   9.489   2.964   9.306
  183   2HG   GLN   4           HG1      GLN   4   9.674   2.094   7.793
  184   1HE2  GLN   4          HE22      GLN   4  12.442   4.880   7.612
  185   2HE2  GLN   4          HE21      GLN   4  10.805   5.245   7.301
  186    H    HIS   5           HN       HIS   5   9.844   1.904   4.903
  187    HA   HIS   5           HA       HIS   5   7.995   0.854   3.261
  188   1HB   HIS   5           HB2      HIS   5   9.411  -0.992   5.201
  189   2HB   HIS   5           HB1      HIS   5   8.752  -1.307   3.605
  190    HD1  HIS   5           HD1      HIS   5  10.083  -0.801   1.758
  191    HD2  HIS   5           HD2      HIS   5  11.798   0.732   5.087
  192    HE1  HIS   5           HE1      HIS   5  12.322   0.102   1.041
  193    H    LEU   6           HN       LEU   6   6.355  -0.379   3.079
  194    HA   LEU   6           HA       LEU   6   4.548  -0.932   5.430
  195   1HB   LEU   6           HB2      LEU   6   3.539  -0.762   2.661
  196   2HB   LEU   6           HB1      LEU   6   2.763  -0.697   4.216
  197    HG   LEU   6           HG       LEU   6   3.400   1.459   4.724
  198   1HD1  LEU   6          HD11      LEU   6   5.061   1.425   2.165
  199   2HD1  LEU   6          HD13      LEU   6   4.658   2.901   3.045
  200   3HD1  LEU   6          HD12      LEU   6   5.660   1.717   3.783
  201   1HD2  LEU   6          HD21      LEU   6   1.510   1.084   3.139
  202   2HD2  LEU   6          HD23      LEU   6   2.293   2.610   2.751
  203   3HD2  LEU   6          HD22      LEU   6   2.610   1.180   1.779
  204    H    CYS   7           HN       CYS   7   4.757  -3.137   5.803
  205    HA   CYS   7           HA       CYS   7   4.700  -4.769   3.436
  206   1HB   CYS   7           HB2      CYS   7   7.021  -4.487   4.748
  207   2HB   CYS   7           HB1      CYS   7   6.318  -5.646   5.862
  208    H    GLY   8           HN       GLY   8   4.127  -7.101   4.139
  209   1HA   GLY   8           HA2      GLY   8   1.983  -8.200   4.702
  210   2HA   GLY   8           HA1      GLY   8   2.739  -8.059   6.292
  211    H    SER   9           HN       SER   9   1.302  -7.254   7.743
  212    HA   SER   9           HA       SER   9  -1.186  -6.119   7.337
  213   1HB   SER   9           HB2      SER   9   0.658  -5.193   9.583
  214   2HB   SER   9           HB1      SER   9  -1.099  -5.269   9.583
  215    HG   SER   9           HG1      SER   9  -0.933  -7.300  10.042
  216    H    HIS  10           HN       HIS  10   1.481  -4.038   8.294
  217    HA   HIS  10           HA       HIS  10   0.524  -1.577   7.997
  218   1HB   HIS  10           HB2      HIS  10   2.989  -2.216   8.548
  219   2HB   HIS  10           HB1      HIS  10   3.283  -2.346   6.815
  220    HD1  HIS  10           HD1      HIS  10   4.903  -0.056   7.149
  221    HD2  HIS  10           HD2      HIS  10   0.898   0.450   7.856
  222    HE1  HIS  10           HE1      HIS  10   4.501   2.346   7.192
  223    H    LEU  11           HN       LEU  11   1.705  -3.446   5.356
  224    HA   LEU  11           HA       LEU  11   1.057  -1.443   3.340
  225   1HB   LEU  11           HB2      LEU  11   2.880  -3.250   3.149
  226   2HB   LEU  11           HB1      LEU  11   1.660  -4.453   2.957
  227    HG   LEU  11           HG       LEU  11   1.658  -1.967   1.323
  228   1HD1  LEU  11          HD12      LEU  11   3.383  -4.399   0.864
  229   2HD1  LEU  11          HD11      LEU  11   2.949  -3.239  -0.382
  230   3HD1  LEU  11          HD13      LEU  11   3.863  -2.737   1.001
  231   1HD2  LEU  11          HD23      LEU  11  -0.253  -3.788   1.069
  232   2HD2  LEU  11          HD22      LEU  11   0.675  -3.638  -0.399
  233   3HD2  LEU  11          HD21      LEU  11   1.008  -4.939   0.723
  234    H    VAL  12           HN       VAL  12  -0.439  -4.619   3.905
  235    HA   VAL  12           HA       VAL  12  -2.600  -4.195   2.051
  236    HB   VAL  12           HB       VAL  12  -3.277  -6.317   2.824
  237   1HG1  VAL  12          HG11      VAL  12  -1.011  -6.652   3.794
  238   2HG1  VAL  12          HG13      VAL  12  -1.572  -5.894   5.269
  239   3HG1  VAL  12          HG12      VAL  12  -2.231  -7.436   4.776
  240   1HG2  VAL  12          HG23      VAL  12  -5.006  -5.213   4.197
  241   2HG2  VAL  12          HG22      VAL  12  -4.442  -6.688   4.952
  242   3HG2  VAL  12          HG21      VAL  12  -3.905  -5.144   5.558
  243    H    GLU  13           HN       GLU  13  -2.504  -3.546   5.480
  244    HA   GLU  13           HA       GLU  13  -4.960  -2.251   5.873
  245   1HB   GLU  13           HB2      GLU  13  -2.201  -1.603   7.096
  246   2HB   GLU  13           HB1      GLU  13  -3.727  -1.044   7.766
  247   1HG   GLU  13           HG2      GLU  13  -4.456  -3.296   8.089
  248   2HG   GLU  13           HG1      GLU  13  -3.049  -3.942   7.253
  249    H    ALA  14           HN       ALA  14  -1.884  -0.699   5.402
  250    HA   ALA  14           HA       ALA  14  -2.570   1.778   5.001
  251   1HB   ALA  14           HB2      ALA  14  -0.807   0.217   3.128
  252   2HB   ALA  14           HB1      ALA  14  -0.815   1.969   3.216
  253   3HB   ALA  14           HB3      ALA  14  -0.300   1.019   4.616
  254    H    LEU  15           HN       LEU  15  -2.431  -0.196   2.025
  255    HA   LEU  15           HA       LEU  15  -3.846   1.904   0.678
  256   1HB   LEU  15           HB2      LEU  15  -4.257  -0.707  -0.662
  257   2HB   LEU  15           HB1      LEU  15  -3.687   0.801  -1.283
  258    HG   LEU  15           HG       LEU  15  -1.511   0.302   0.097
  259   1HD1  LEU  15          HD11      LEU  15  -2.749  -1.722   1.164
  260   2HD1  LEU  15          HD13      LEU  15  -2.809  -2.456  -0.380
  261   3HD1  LEU  15          HD12      LEU  15  -1.256  -2.163   0.359
  262   1HD2  LEU  15          HD23      LEU  15  -2.274  -1.160  -2.441
  263   2HD2  LEU  15          HD22      LEU  15  -1.704   0.467  -2.307
  264   3HD2  LEU  15          HD21      LEU  15  -0.644  -0.852  -1.856
  265    OH   TYR  16           OH       TYR  16 -11.018  -6.125   2.497
  266    H    TYR  16           HN       TYR  16  -4.973  -1.198   1.867
  267    HA   TYR  16           HA       TYR  16  -7.584  -1.171   1.083
  268   1HB   TYR  16           HB2      TYR  16  -6.075  -2.818   2.342
  269   2HB   TYR  16           HB1      TYR  16  -6.664  -2.099   3.828
  270    HD1  TYR  16           HD2      TYR  16  -9.466  -1.968   1.735
  271    HD2  TYR  16           HD1      TYR  16  -6.895  -4.743   3.645
  272    HE1  TYR  16           HE2      TYR  16 -11.187  -3.636   1.611
  273    HE2  TYR  16           HE1      TYR  16  -8.627  -6.437   3.529
  274    HH   TYR  16           HH       TYR  16 -11.837  -5.691   2.742
  275    H    LEU  17           HN       LEU  17  -6.312   0.586   3.688
  276    HA   LEU  17           HA       LEU  17  -9.005   1.684   4.388
  277   1HB   LEU  17           HB2      LEU  17  -6.418   2.442   5.771
  278   2HB   LEU  17           HB1      LEU  17  -8.028   2.535   6.466
  279    HG   LEU  17           HG       LEU  17  -6.398   0.392   5.634
  280   1HD1  LEU  17          HD13      LEU  17  -5.571   1.287   7.751
  281   2HD1  LEU  17          HD12      LEU  17  -7.178   1.241   8.462
  282   3HD1  LEU  17          HD11      LEU  17  -6.290  -0.247   8.183
  283   1HD2  LEU  17          HD22      LEU  17  -9.117   0.189   7.055
  284   2HD2  LEU  17          HD21      LEU  17  -8.748  -0.433   5.458
  285   3HD2  LEU  17          HD23      LEU  17  -8.097  -1.226   6.875
  286    H    VAL  18           HN       VAL  18  -5.776   2.817   3.624
  287    HA   VAL  18           HA       VAL  18  -6.524   5.377   3.873
  288    HB   VAL  18           HB       VAL  18  -4.413   4.156   2.001
  289   1HG1  VAL  18          HG11      VAL  18  -4.737   7.129   2.662
  290   2HG1  VAL  18          HG13      VAL  18  -3.395   6.430   1.775
  291   3HG1  VAL  18          HG12      VAL  18  -4.997   6.429   1.081
  292   1HG2  VAL  18          HG21      VAL  18  -4.085   4.045   4.530
  293   2HG2  VAL  18          HG23      VAL  18  -2.861   5.052   3.785
  294   3HG2  VAL  18          HG22      VAL  18  -4.225   5.790   4.603
  295    H    CYS  19           HN       CYS  19  -7.020   3.225   1.362
  296    HA   CYS  19           HA       CYS  19  -8.877   4.977  -0.188
  297   1HB   CYS  19           HB2      CYS  19  -6.692   5.235  -1.127
  298   2HB   CYS  19           HB1      CYS  19  -6.442   3.505  -1.100
  299    H    GLY  20           HN       GLY  20  -7.930   1.747   0.458
  300   1HA   GLY  20           HA2      GLY  20  -9.297   0.070  -1.172
  301   2HA   GLY  20           HA1      GLY  20  -9.235  -0.283   0.520
  302    H    GLU  21           HN       GLU  21 -10.883   1.804   1.290
  303    HA   GLU  21           HA       GLU  21 -13.377   0.846   1.664
  304   1HB   GLU  21           HB2      GLU  21 -13.936   3.098   2.226
  305   2HB   GLU  21           HB1      GLU  21 -12.212   3.212   2.141
  306   1HG   GLU  21           HG2      GLU  21 -12.222   4.211  -0.078
  307   2HG   GLU  21           HG1      GLU  21 -13.916   3.859  -0.329
  308    NH1  ARG  22           NH2      ARG  22  -9.224   2.190  -6.496
  309    NH2  ARG  22           NH1      ARG  22  -7.747   3.544  -5.641
  310    H    ARG  22           HN       ARG  22 -12.354   2.176  -1.320
  311    HA   ARG  22           HA       ARG  22 -14.916   1.838  -2.728
  312   1HB   ARG  22           HB2      ARG  22 -13.820   3.089  -4.503
  313   2HB   ARG  22           HB1      ARG  22 -13.206   3.727  -2.984
  314   1HG   ARG  22           HG2      ARG  22 -11.206   2.313  -3.102
  315   2HG   ARG  22           HG1      ARG  22 -11.731   1.608  -4.612
  316   1HD   ARG  22           HD2      ARG  22 -11.459   3.681  -5.820
  317   2HD   ARG  22           HD1      ARG  22 -11.287   4.576  -4.288
  318    HE   ARG  22           HE       ARG  22  -9.276   3.165  -3.801
  319   1HH1  ARG  22          HH21      ARG  22 -10.132   1.812  -6.430
  320   2HH1  ARG  22          HH22      ARG  22  -8.570   1.955  -7.211
  321   1HH2  ARG  22          HH11      ARG  22  -7.533   4.213  -4.945
  322   2HH2  ARG  22          HH12      ARG  22  -7.063   3.310  -6.329
  323    H    GLY  23           HN       GLY  23 -11.690  -0.006  -3.069
  324   1HA   GLY  23           HA2      GLY  23 -13.071  -2.354  -3.945
  325   2HA   GLY  23           HA1      GLY  23 -12.232  -1.540  -5.290
  326    H    PHE  24           HN       PHE  24 -11.332  -4.032  -4.088
  327    HA   PHE  24           HA       PHE  24  -8.724  -2.930  -3.337
  328   1HB   PHE  24           HB2      PHE  24 -10.305  -3.363  -1.240
  329   2HB   PHE  24           HB1      PHE  24  -9.800  -5.057  -1.429
  330    HD1  PHE  24           HD2      PHE  24  -8.436  -1.621  -1.763
  331    HD2  PHE  24           HD1      PHE  24  -7.672  -5.597  -0.452
  332    HE1  PHE  24           HE2      PHE  24  -6.252  -0.937  -1.105
  333    HE2  PHE  24           HE1      PHE  24  -5.421  -4.903   0.232
  334    HZ   PHE  24           HZ       PHE  24  -4.742  -2.588  -0.107
  335    OH   TYR  25           OH       TYR  25  -1.457  -3.601  -1.703
  336    H    TYR  25           HN       TYR  25  -6.973  -4.578  -3.077
  337    HA   TYR  25           HA       TYR  25  -7.337  -6.850  -4.989
  338   1HB   TYR  25           HB2      TYR  25  -5.046  -6.385  -5.783
  339   2HB   TYR  25           HB1      TYR  25  -5.916  -4.865  -5.749
  340    HD1  TYR  25           HD1      TYR  25  -5.526  -3.267  -3.757
  341    HD2  TYR  25           HD2      TYR  25  -3.082  -6.684  -4.462
  342    HE1  TYR  25           HE1      TYR  25  -3.788  -2.367  -2.229
  343    HE2  TYR  25           HE2      TYR  25  -1.353  -5.695  -2.902
  344    HH   TYR  25           HH       TYR  25  -1.453  -2.642  -1.772
  345    H    THR  26           HN       THR  26  -5.152  -5.882  -2.495
  346    HA   THR  26           HA       THR  26  -4.576  -6.886  -0.413
  347    HB   THR  26           HB       THR  26  -6.672  -8.520  -0.939
  348    HG1  THR  26           HG1      THR  26  -6.172  -8.883   1.045
  349   1HG2  THR  26          HG23      THR  26  -5.195 -10.059  -2.375
  350   2HG2  THR  26          HG22      THR  26  -4.239 -10.347  -0.927
  351   3HG2  THR  26          HG21      THR  26  -5.938 -10.812  -0.975
  352    HA   PRO  27           HA       PRO  27  -0.793  -7.634  -2.005
  353   1HB   PRO  27           HB2      PRO  27   0.613  -7.153   0.213
  354   2HB   PRO  27           HB1      PRO  27  -0.676  -6.062  -0.325
  355   1HG   PRO  27           HG2      PRO  27  -0.670  -8.067   1.929
  356   2HG   PRO  27           HG1      PRO  27  -1.513  -6.529   1.768
  357   1HD   PRO  27           HD2      PRO  27  -2.570  -9.233   1.101
  358   2HD   PRO  27           HD1      PRO  27  -3.440  -7.693   1.083
  359    H    LYS  28           HN       LYS  28  -0.990 -10.001  -2.690
  360    HA   LYS  28           HA       LYS  28   0.655 -11.780  -1.175
  361   1HB   LYS  28           HB2      LYS  28  -0.156 -13.556  -2.317
  362   2HB   LYS  28           HB1      LYS  28  -1.485 -12.434  -2.293
  363   1HG   LYS  28           HG2      LYS  28   0.356 -13.105  -4.606
  364   2HG   LYS  28           HG1      LYS  28  -1.345 -13.395  -4.470
  365   1HD   LYS  28           HD2      LYS  28  -1.576 -11.489  -5.649
  366   2HD   LYS  28           HD1      LYS  28  -1.514 -10.837  -4.044
  367   1HE   LYS  28           HE2      LYS  28  -0.161  -9.658  -5.946
  368   2HE   LYS  28           HE1      LYS  28   0.526  -9.733  -4.362
  369   1HZ   LYS  28           HZ3      LYS  28   1.243 -12.133  -5.802
  370   2HZ   LYS  28           HZ2      LYS  28   1.660 -10.726  -6.686
  371   3HZ   LYS  28           HZ1      LYS  28   2.247 -10.958  -5.218
  372    H    THR  29           HN       THR  29   1.748  -9.574  -2.516
  373    HA   THR  29           HA       THR  29   4.085  -9.082  -2.950
  374    HB   THR  29           HB       THR  29   5.321 -10.074  -4.815
  375    HG1  THR  29           HG1      THR  29   3.999 -12.380  -4.593
  376   1HG2  THR  29          HG21      THR  29   4.540 -11.943  -2.569
  377   2HG2  THR  29          HG23      THR  29   5.975 -12.057  -3.604
  378   3HG2  THR  29          HG22      THR  29   5.770 -10.689  -2.539
   
  Start of MODEL           6
 Raw file had  378 H/Q atoms
  Start of MODEL    6
    1   1H    GLY   1           HT3      GLY   1   8.266  -4.269  -7.607
    2   2H    GLY   1           HT2      GLY   1   8.581  -5.512  -8.673
    3   3H    GLY   1           HT1      GLY   1   9.125  -3.962  -9.051
    4   1HA   GLY   1           HA1      GLY   1   7.120  -3.593 -10.122
    5   2HA   GLY   1           HA2      GLY   1   6.524  -5.149  -9.527
    6    H    ILE   2           HN       ILE   2   4.502  -3.706  -9.332
    7    HA   ILE   2           HA       ILE   2   4.007  -1.594  -7.667
    8    HB   ILE   2           HB       ILE   2   2.489  -2.842  -9.230
    9   1HG1  ILE   2          HG12      ILE   2   0.370  -2.721  -7.788
   10   2HG1  ILE   2          HG11      ILE   2   1.416  -2.209  -6.483
   11   1HG2  ILE   2          HG23      ILE   2   2.875  -5.208  -8.418
   12   2HG2  ILE   2          HG22      ILE   2   1.940  -4.834  -6.974
   13   3HG2  ILE   2          HG21      ILE   2   1.187  -4.769  -8.535
   14   1HD1  ILE   2           HD3      ILE   2   1.216  -0.888  -9.243
   15   2HD1  ILE   2           HD2      ILE   2   0.532  -0.262  -7.768
   16   3HD1  ILE   2           HD1      ILE   2   2.272  -0.329  -7.962
   17    H    VAL   3           HN       VAL   3   3.543  -4.830  -6.356
   18    HA   VAL   3           HA       VAL   3   3.316  -3.892  -3.645
   19    HB   VAL   3           HB       VAL   3   2.342  -6.007  -4.616
   20   1HG1  VAL   3          HG12      VAL   3   4.314  -6.936  -5.812
   21   2HG1  VAL   3          HG11      VAL   3   5.135  -7.199  -4.288
   22   3HG1  VAL   3          HG13      VAL   3   3.678  -8.070  -4.656
   23   1HG2  VAL   3          HG22      VAL   3   2.438  -5.608  -2.187
   24   2HG2  VAL   3          HG21      VAL   3   2.659  -7.289  -2.615
   25   3HG2  VAL   3          HG23      VAL   3   4.047  -6.328  -2.128
   26    H    GLU   4           HN       GLU   4   6.013  -5.715  -5.154
   27    HA   GLU   4           HA       GLU   4   7.926  -5.610  -3.202
   28   1HB   GLU   4           HB2      GLU   4   8.694  -4.633  -5.968
   29   2HB   GLU   4           HB1      GLU   4   9.579  -5.698  -4.914
   30   1HG   GLU   4           HG2      GLU   4   8.793  -7.411  -6.319
   31   2HG   GLU   4           HG1      GLU   4   7.402  -7.327  -5.293
   32    H    GLN   5           HN       GLN   5   6.916  -2.946  -5.286
   33    HA   GLN   5           HA       GLN   5   8.571  -0.811  -4.484
   34   1HB   GLN   5           HB2      GLN   5   6.419  -1.159  -6.229
   35   2HB   GLN   5           HB1      GLN   5   5.747  -0.234  -4.921
   36   1HG   GLN   5           HG2      GLN   5   8.293   0.795  -6.183
   37   2HG   GLN   5           HG1      GLN   5   6.763   1.053  -6.984
   38   1HE2  GLN   5          HE22      GLN   5   6.716   2.834  -3.426
   39   2HE2  GLN   5          HE21      GLN   5   7.002   1.167  -3.417
   40    H    CYS   6           HN       CYS   6   5.344  -1.643  -3.351
   41    HA   CYS   6           HA       CYS   6   5.655   0.034  -0.888
   42   1HB   CYS   6           HB2      CYS   6   3.509  -0.671  -2.141
   43   2HB   CYS   6           HB1      CYS   6   3.685  -2.228  -1.370
   44    H    CYS   7           HN       CYS   7   5.975  -3.437  -1.107
   45    HA   CYS   7           HA       CYS   7   6.440  -3.697   1.667
   46   1HB   CYS   7           HB2      CYS   7   5.586  -5.422   0.327
   47   2HB   CYS   7           HB1      CYS   7   6.988  -5.422  -0.704
   48    H    THR   8           HN       THR   8   8.644  -3.182  -0.983
   49    HA   THR   8           HA       THR   8  10.907  -2.898   0.997
   50    HB   THR   8           HB       THR   8  11.196  -3.742  -1.942
   51    HG1  THR   8           HG1      THR   8  10.765  -4.935   0.442
   52   1HG2  THR   8          HG23      THR   8  13.121  -3.510   0.459
   53   2HG2  THR   8          HG22      THR   8  13.572  -3.984  -1.168
   54   3HG2  THR   8          HG21      THR   8  13.141  -2.318  -0.821
   55    H    SER   9           HN       SER   9   9.724  -1.393  -2.105
   56    HA   SER   9           HA       SER   9  11.662   0.659  -1.657
   57   1HB   SER   9           HB2      SER   9   9.349   0.953  -3.476
   58   2HB   SER   9           HB1      SER   9  10.891   1.833  -3.455
   59    HG   SER   9           HG1      SER   9  11.728   0.172  -4.604
   60    H    ILE  10           HN       ILE  10  10.589   1.005   0.610
   61    HA   ILE  10           HA       ILE  10   9.103   2.299   2.041
   62    HB   ILE  10           HB       ILE  10  11.298   3.316   0.747
   63   1HG1  ILE  10          HG12      ILE  10  11.433   4.776   2.788
   64   2HG1  ILE  10          HG11      ILE  10   9.862   4.123   3.230
   65   1HG2  ILE  10          HG23      ILE  10   9.823   4.832  -0.429
   66   2HG2  ILE  10          HG22      ILE  10   9.284   5.447   1.136
   67   3HG2  ILE  10          HG21      ILE  10  10.973   5.639   0.656
   68   1HD1  ILE  10           HD1      ILE  10  12.301   2.389   2.627
   69   2HD1  ILE  10           HD3      ILE  10  11.759   2.757   4.248
   70   3HD1  ILE  10           HD2      ILE  10  10.737   1.829   3.177
   71    H    CYS  11           HN       CYS  11   7.358   1.318   0.222
   72    HA   CYS  11           HA       CYS  11   5.531   1.904  -1.271
   73   1HB   CYS  11           HB2      CYS  11   4.861   2.568   1.615
   74   2HB   CYS  11           HB1      CYS  11   3.618   2.292   0.417
   75    H    SER  12           HN       SER  12   4.159   4.074   0.754
   76    HA   SER  12           HA       SER  12   4.157   6.434   0.772
   77   1HB   SER  12           HB2      SER  12   5.627   6.557  -1.328
   78   2HB   SER  12           HB1      SER  12   4.113   6.680  -2.216
   79    HG   SER  12           HG1      SER  12   5.315   8.424  -0.837
   80    H    LEU  13           HN       LEU  13   2.602   7.830   0.352
   81    HA   LEU  13           HA       LEU  13  -0.057   6.939   0.472
   82   1HB   LEU  13           HB2      LEU  13  -0.633   9.415  -0.055
   83   2HB   LEU  13           HB1      LEU  13   0.319   9.146   1.371
   84    HG   LEU  13           HG       LEU  13   2.353   9.616  -0.443
   85   1HD1  LEU  13          HD12      LEU  13  -0.059  11.081  -1.565
   86   2HD1  LEU  13          HD11      LEU  13   1.585  11.292  -2.110
   87   3HD1  LEU  13          HD13      LEU  13   0.743   9.791  -2.366
   88   1HD2  LEU  13          HD22      LEU  13   1.653  11.105   1.635
   89   2HD2  LEU  13          HD21      LEU  13   2.101  12.080   0.223
   90   3HD2  LEU  13          HD23      LEU  13   0.432  11.767   0.589
   91    OH   TYR  14           OH       TYR  14   2.402   7.326 -10.126
   92    H    TYR  14           HN       TYR  14   1.949   7.799  -2.050
   93    HA   TYR  14           HA       TYR  14   0.190   8.016  -4.298
   94   1HB   TYR  14           HB2      TYR  14   2.557   8.840  -4.228
   95   2HB   TYR  14           HB1      TYR  14   3.152   7.189  -4.096
   96    HD1  TYR  14           HD1      TYR  14   2.791   5.598  -5.975
   97    HD2  TYR  14           HD2      TYR  14   1.931   9.739  -6.334
   98    HE1  TYR  14           HE1      TYR  14   2.819   5.404  -8.451
   99    HE2  TYR  14           HE2      TYR  14   1.970   9.513  -8.815
  100    HH   TYR  14           HH       TYR  14   1.791   6.592 -10.258
  101    H    GLN  15           HN       GLN  15   1.790   5.425  -2.722
  102    HA   GLN  15           HA       GLN  15   1.068   3.310  -4.537
  103   1HB   GLN  15           HB2      GLN  15   1.792   3.395  -1.586
  104   2HB   GLN  15           HB1      GLN  15   1.201   1.926  -2.257
  105   1HG   GLN  15           HG2      GLN  15   3.744   2.354  -2.079
  106   2HG   GLN  15           HG1      GLN  15   3.211   1.737  -3.605
  107   1HE2  GLN  15          HE22      GLN  15   4.815   4.328  -5.119
  108   2HE2  GLN  15          HE21      GLN  15   4.410   2.673  -5.061
  109    H    LEU  16           HN       LEU  16  -0.145   4.114  -1.331
  110    HA   LEU  16           HA       LEU  16  -2.521   2.752  -1.282
  111   1HB   LEU  16           HB2      LEU  16  -1.938   5.624  -0.383
  112   2HB   LEU  16           HB1      LEU  16  -3.438   4.830   0.003
  113    HG   LEU  16           HG       LEU  16  -2.082   2.901   0.994
  114   1HD1  LEU  16          HD13      LEU  16   0.217   4.822   0.921
  115   2HD1  LEU  16          HD12      LEU  16   0.157   3.339   1.840
  116   3HD1  LEU  16          HD11      LEU  16   0.152   3.255   0.109
  117   1HD2  LEU  16          HD23      LEU  16  -1.739   5.677   2.222
  118   2HD2  LEU  16          HD22      LEU  16  -3.123   4.621   2.394
  119   3HD2  LEU  16          HD21      LEU  16  -1.605   4.174   3.122
  120    H    GLU  17           HN       GLU  17  -2.303   5.906  -2.866
  121    HA   GLU  17           HA       GLU  17  -4.839   5.975  -4.029
  122   1HB   GLU  17           HB2      GLU  17  -2.301   7.505  -4.731
  123   2HB   GLU  17           HB1      GLU  17  -3.910   7.991  -5.217
  124   1HG   GLU  17           HG2      GLU  17  -4.545   8.428  -2.893
  125   2HG   GLU  17           HG1      GLU  17  -3.066   7.716  -2.290
  126    H    ASN  18           HN       ASN  18  -1.808   5.624  -5.718
  127    HA   ASN  18           HA       ASN  18  -2.950   5.084  -8.337
  128   1HB   ASN  18           HB2      ASN  18  -0.768   6.188  -7.870
  129   2HB   ASN  18           HB1      ASN  18  -0.105   4.657  -7.384
  130   1HD2  ASN  18          HD22      ASN  18  -0.799   3.994 -11.155
  131   2HD2  ASN  18          HD21      ASN  18  -1.958   3.650  -9.957
  132    OH   TYR  19           OH       TYR  19   3.910   0.720  -5.792
  133    H    TYR  19           HN       TYR  19  -2.596   3.109  -5.630
  134    HA   TYR  19           HA       TYR  19  -2.477   0.544  -7.147
  135   1HB   TYR  19           HB2      TYR  19  -1.950   1.164  -4.153
  136   2HB   TYR  19           HB1      TYR  19  -1.928  -0.396  -4.883
  137    HD1  TYR  19           HD1      TYR  19  -0.180   2.413  -6.660
  138    HD2  TYR  19           HD2      TYR  19   0.139  -0.929  -4.035
  139    HE1  TYR  19           HE1      TYR  19   2.266   2.391  -6.934
  140    HE2  TYR  19           HE2      TYR  19   2.555  -0.912  -4.332
  141    HH   TYR  19           HH       TYR  19   4.149  -0.191  -5.581
  142    H    CYS  20           HN       CYS  20  -4.146   2.011  -4.339
  143    HA   CYS  20           HA       CYS  20  -6.177   1.244  -3.303
  144   1HB   CYS  20           HB2      CYS  20  -7.021   2.377  -5.952
  145   2HB   CYS  20           HB1      CYS  20  -7.907   2.450  -4.444
  146    H    ASN  21           HN       ASN  21  -8.645   0.943  -4.485
  147    HA   ASN  21           HA       ASN  21 -10.044  -0.890  -4.457
  148   1HB   ASN  21           HB2      ASN  21 -10.278  -1.100  -7.167
  149   2HB   ASN  21           HB1      ASN  21 -10.600   0.414  -6.383
  150   1HD2  ASN  21          HD22      ASN  21  -6.838   0.391  -7.987
  151   2HD2  ASN  21          HD21      ASN  21  -7.250  -0.799  -6.858
  152   1H    PHE   1           HT2      PHE   1   4.414   9.619   0.385
  153   2H    PHE   1           HT1      PHE   1   3.282  10.112   1.504
  154   3H    PHE   1           HT3      PHE   1   4.145  11.279   0.632
  155    HA   PHE   1           HA       PHE   1   5.741  11.307   2.259
  156   1HB   PHE   1           HB2      PHE   1   5.281   9.910   4.350
  157   2HB   PHE   1           HB1      PHE   1   3.775  10.601   3.813
  158    HD1  PHE   1           HD1      PHE   1   5.852   7.503   3.747
  159    HD2  PHE   1           HD2      PHE   1   1.990   9.169   2.999
  160    HE1  PHE   1           HE1      PHE   1   4.994   5.294   3.429
  161    HE2  PHE   1           HE2      PHE   1   1.118   6.916   2.686
  162    HZ   PHE   1           HZ       PHE   1   2.593   4.960   2.903
  163    H    VAL   2           HN       VAL   2   7.199   9.093   3.505
  164    HA   VAL   2           HA       VAL   2   7.891   7.261   1.269
  165    HB   VAL   2           HB       VAL   2   9.191   9.642   2.009
  166   1HG1  VAL   2          HG11      VAL   2  11.012   7.166   2.079
  167   2HG1  VAL   2          HG13      VAL   2  11.612   8.806   1.981
  168   3HG1  VAL   2          HG12      VAL   2  10.808   8.259   3.426
  169   1HG2  VAL   2          HG23      VAL   2   8.783   9.005  -0.302
  170   2HG2  VAL   2          HG22      VAL   2  10.513   9.188  -0.093
  171   3HG2  VAL   2          HG21      VAL   2   9.795   7.590  -0.129
  172    H    ASN   3           HN       ASN   3   8.909   8.464   4.243
  173    HA   ASN   3           HA       ASN   3   9.922   7.517   6.073
  174   1HB   ASN   3           HB2      ASN   3   7.012   6.714   6.072
  175   2HB   ASN   3           HB1      ASN   3   7.965   6.993   7.532
  176   1HD2  ASN   3          HD22      ASN   3   7.216  10.409   7.367
  177   2HD2  ASN   3          HD21      ASN   3   7.623   9.080   8.349
  178    H    GLN   4           HN       GLN   4   7.813   4.626   5.343
  179    HA   GLN   4           HA       GLN   4  10.158   2.944   5.731
  180   1HB   GLN   4           HB2      GLN   4   7.607   2.649   7.437
  181   2HB   GLN   4           HB1      GLN   4   9.077   1.714   7.618
  182   1HG   GLN   4           HG2      GLN   4  10.317   3.907   8.159
  183   2HG   GLN   4           HG1      GLN   4   8.760   4.711   8.145
  184   1HE2  GLN   4          HE22      GLN   4   9.856   3.302  11.512
  185   2HE2  GLN   4          HE21      GLN   4  10.945   3.699  10.256
  186    H    HIS   5           HN       HIS   5   8.995   0.682   5.837
  187    HA   HIS   5           HA       HIS   5   7.720   0.351   3.279
  188   1HB   HIS   5           HB2      HIS   5   8.900  -1.982   4.799
  189   2HB   HIS   5           HB1      HIS   5   8.592  -1.764   3.088
  190    HD1  HIS   5           HD1      HIS   5  10.365  -0.763   1.779
  191    HD2  HIS   5           HD2      HIS   5  11.123  -0.453   5.724
  192    HE1  HIS   5           HE1      HIS   5  12.665   0.095   1.919
  193    H    LEU   6           HN       LEU   6   5.885  -1.144   3.009
  194    HA   LEU   6           HA       LEU   6   4.326  -1.496   5.577
  195   1HB   LEU   6           HB2      LEU   6   3.471  -1.130   2.742
  196   2HB   LEU   6           HB1      LEU   6   2.440  -1.638   4.035
  197    HG   LEU   6           HG       LEU   6   2.621   0.324   5.277
  198   1HD1  LEU   6          HD13      LEU   6   4.785   1.274   3.366
  199   2HD1  LEU   6          HD12      LEU   6   3.995   2.278   4.566
  200   3HD1  LEU   6          HD11      LEU   6   4.953   0.925   5.072
  201   1HD2  LEU   6          HD23      LEU   6   1.136   0.409   3.275
  202   2HD2  LEU   6          HD22      LEU   6   1.814   2.000   3.586
  203   3HD2  LEU   6          HD21      LEU   6   2.465   0.990   2.308
  204    H    CYS   7           HN       CYS   7   5.281  -3.337   2.895
  205    HA   CYS   7           HA       CYS   7   4.940  -5.561   2.169
  206   1HB   CYS   7           HB2      CYS   7   6.028  -5.672   4.945
  207   2HB   CYS   7           HB1      CYS   7   5.868  -7.125   3.985
  208    H    GLY   8           HN       GLY   8   3.554  -5.858   5.402
  209   1HA   GLY   8           HA2      GLY   8   1.375  -7.570   4.164
  210   2HA   GLY   8           HA1      GLY   8   2.150  -8.085   5.651
  211    H    SER   9           HN       SER   9   0.993  -7.674   7.357
  212    HA   SER   9           HA       SER   9  -1.483  -6.712   7.835
  213   1HB   SER   9           HB2      SER   9   0.099  -7.395   9.718
  214   2HB   SER   9           HB1      SER   9   0.825  -5.782   9.634
  215    HG   SER   9           HG1      SER   9  -1.585  -6.440  10.746
  216    H    HIS  10           HN       HIS  10   1.050  -4.309   8.268
  217    HA   HIS  10           HA       HIS  10  -0.719  -2.158   8.240
  218   1HB   HIS  10           HB2      HIS  10   1.910  -2.486   8.948
  219   2HB   HIS  10           HB1      HIS  10   2.119  -1.586   7.446
  220    HD1  HIS  10           HD1      HIS  10  -0.043   0.333   7.437
  221    HD2  HIS  10           HD2      HIS  10   1.662  -0.800  10.937
  222    HE1  HIS  10           HE1      HIS  10  -0.520   2.171   9.075
  223    H    LEU  11           HN       LEU  11   0.934  -3.658   5.596
  224    HA   LEU  11           HA       LEU  11   0.562  -1.560   3.619
  225   1HB   LEU  11           HB2      LEU  11   2.184  -3.682   3.496
  226   2HB   LEU  11           HB1      LEU  11   0.800  -4.636   3.124
  227    HG   LEU  11           HG       LEU  11   1.331  -2.167   1.536
  228   1HD1  LEU  11          HD11      LEU  11   2.635  -4.918   1.163
  229   2HD1  LEU  11          HD13      LEU  11   2.729  -3.599   0.008
  230   3HD1  LEU  11          HD12      LEU  11   3.481  -3.428   1.574
  231   1HD2  LEU  11          HD22      LEU  11  -0.733  -3.635   1.171
  232   2HD2  LEU  11          HD21      LEU  11   0.303  -3.655  -0.240
  233   3HD2  LEU  11          HD23      LEU  11   0.304  -5.003   0.888
  234    H    VAL  12           HN       VAL  12  -1.091  -4.541   4.169
  235    HA   VAL  12           HA       VAL  12  -3.276  -4.006   2.430
  236    HB   VAL  12           HB       VAL  12  -4.640  -5.685   3.819
  237   1HG1  VAL  12          HG11      VAL  12  -1.753  -6.530   3.319
  238   2HG1  VAL  12          HG13      VAL  12  -3.093  -7.634   3.513
  239   3HG1  VAL  12          HG12      VAL  12  -3.028  -6.571   2.135
  240   1HG2  VAL  12          HG21      VAL  12  -3.752  -5.168   6.109
  241   2HG2  VAL  12          HG23      VAL  12  -3.590  -6.861   5.708
  242   3HG2  VAL  12          HG22      VAL  12  -2.197  -5.813   5.596
  243    H    GLU  13           HN       GLU  13  -3.164  -3.341   6.053
  244    HA   GLU  13           HA       GLU  13  -5.596  -2.000   6.185
  245   1HB   GLU  13           HB2      GLU  13  -3.829  -2.456   8.100
  246   2HB   GLU  13           HB1      GLU  13  -3.055  -0.970   7.583
  247   1HG   GLU  13           HG2      GLU  13  -5.368   0.135   7.634
  248   2HG   GLU  13           HG1      GLU  13  -5.938  -1.333   8.423
  249    H    ALA  14           HN       ALA  14  -2.490  -0.500   5.626
  250    HA   ALA  14           HA       ALA  14  -2.944   2.085   5.097
  251   1HB   ALA  14           HB2      ALA  14  -0.669   0.986   4.718
  252   2HB   ALA  14           HB1      ALA  14  -1.270   0.298   3.235
  253   3HB   ALA  14           HB3      ALA  14  -1.107   2.007   3.344
  254    H    LEU  15           HN       LEU  15  -2.873  -0.019   2.333
  255    HA   LEU  15           HA       LEU  15  -4.220   1.982   0.805
  256   1HB   LEU  15           HB2      LEU  15  -4.460  -0.446  -0.696
  257   2HB   LEU  15           HB1      LEU  15  -3.371   0.863  -0.947
  258    HG   LEU  15           HG       LEU  15  -1.888  -0.119   0.864
  259   1HD1  LEU  15          HD13      LEU  15  -3.813  -1.750   1.559
  260   2HD1  LEU  15          HD12      LEU  15  -3.757  -2.450  -0.050
  261   3HD1  LEU  15          HD11      LEU  15  -2.424  -2.672   1.043
  262   1HD2  LEU  15          HD21      LEU  15  -1.346  -0.284  -1.543
  263   2HD2  LEU  15          HD23      LEU  15  -0.805  -1.666  -0.599
  264   3HD2  LEU  15          HD22      LEU  15  -2.216  -1.810  -1.612
  265    OH   TYR  16           OH       TYR  16 -12.064  -5.335   3.055
  266    H    TYR  16           HN       TYR  16  -5.420  -0.945   2.442
  267    HA   TYR  16           HA       TYR  16  -7.898  -1.073   1.308
  268   1HB   TYR  16           HB2      TYR  16  -6.730  -2.574   3.071
  269   2HB   TYR  16           HB1      TYR  16  -7.406  -1.551   4.300
  270    HD1  TYR  16           HD2      TYR  16 -10.001  -1.486   2.007
  271    HD2  TYR  16           HD1      TYR  16  -7.899  -4.278   4.426
  272    HE1  TYR  16           HE2      TYR  16 -11.897  -2.988   1.913
  273    HE2  TYR  16           HE1      TYR  16  -9.837  -5.789   4.321
  274    HH   TYR  16           HH       TYR  16 -12.398  -5.267   2.157
  275    H    LEU  17           HN       LEU  17  -7.103   0.671   4.137
  276    HA   LEU  17           HA       LEU  17  -9.588   1.981   4.454
  277   1HB   LEU  17           HB2      LEU  17  -6.826   2.105   5.671
  278   2HB   LEU  17           HB1      LEU  17  -7.996   3.378   6.043
  279    HG   LEU  17           HG       LEU  17  -9.498   1.781   6.327
  280   1HD1  LEU  17          HD13      LEU  17  -7.205  -0.192   6.556
  281   2HD1  LEU  17          HD12      LEU  17  -8.755  -0.575   7.269
  282   3HD1  LEU  17          HD11      LEU  17  -8.635  -0.348   5.540
  283   1HD2  LEU  17          HD21      LEU  17  -8.501   2.905   8.326
  284   2HD2  LEU  17          HD23      LEU  17  -8.699   1.236   8.830
  285   3HD2  LEU  17          HD22      LEU  17  -7.137   1.798   8.291
  286    H    VAL  18           HN       VAL  18  -6.433   3.113   3.450
  287    HA   VAL  18           HA       VAL  18  -7.606   5.604   3.260
  288    HB   VAL  18           HB       VAL  18  -5.082   4.434   1.991
  289   1HG1  VAL  18          HG13      VAL  18  -5.753   7.408   2.209
  290   2HG1  VAL  18          HG12      VAL  18  -4.206   6.761   1.684
  291   3HG1  VAL  18          HG11      VAL  18  -5.636   6.509   0.712
  292   1HG2  VAL  18          HG23      VAL  18  -5.544   6.236   4.430
  293   2HG2  VAL  18          HG22      VAL  18  -5.147   4.528   4.486
  294   3HG2  VAL  18          HG21      VAL  18  -3.964   5.686   3.923
  295    H    CYS  19           HN       CYS  19  -7.266   3.109   0.901
  296    HA   CYS  19           HA       CYS  19  -9.184   4.419  -0.981
  297   1HB   CYS  19           HB2      CYS  19  -6.585   4.892  -1.274
  298   2HB   CYS  19           HB1      CYS  19  -6.647   3.317  -2.001
  299    H    GLY  20           HN       GLY  20  -8.803   1.906   0.630
  300   1HA   GLY  20           HA2      GLY  20  -9.036  -0.260  -1.345
  301   2HA   GLY  20           HA1      GLY  20  -9.285  -0.435   0.385
  302    H    GLU  21           HN       GLU  21 -10.901   1.093   1.080
  303    HA   GLU  21           HA       GLU  21 -13.305   0.503   1.538
  304   1HB   GLU  21           HB2      GLU  21 -13.905   2.880   1.496
  305   2HB   GLU  21           HB1      GLU  21 -12.172   2.848   1.539
  306   1HG   GLU  21           HG2      GLU  21 -11.994   3.077  -0.958
  307   2HG   GLU  21           HG1      GLU  21 -13.750   3.041  -1.091
  308    NH1  ARG  22           NH1      ARG  22 -10.212   2.811  -6.721
  309    NH2  ARG  22           NH2      ARG  22  -8.811   4.310  -5.959
  310    H    ARG  22           HN       ARG  22 -12.721   1.404  -1.641
  311    HA   ARG  22           HA       ARG  22 -15.287   0.777  -2.848
  312   1HB   ARG  22           HB2      ARG  22 -14.139   1.926  -4.785
  313   2HB   ARG  22           HB1      ARG  22 -13.913   2.762  -3.267
  314   1HG   ARG  22           HG2      ARG  22 -11.616   1.664  -3.058
  315   2HG   ARG  22           HG1      ARG  22 -11.798   1.171  -4.726
  316   1HD   ARG  22           HD2      ARG  22 -12.322   3.709  -5.241
  317   2HD   ARG  22           HD1      ARG  22 -11.966   4.005  -3.551
  318    HE   ARG  22           HE       ARG  22  -9.648   3.175  -3.892
  319   1HH1  ARG  22          HH11      ARG  22 -10.975   2.239  -6.473
  320   2HH1  ARG  22          HH12      ARG  22  -9.840   2.825  -7.645
  321   1HH2  ARG  22          HH21      ARG  22  -8.500   4.826  -5.166
  322   2HH2  ARG  22          HH22      ARG  22  -8.371   4.451  -6.833
  323    H    GLY  23           HN       GLY  23 -12.055  -0.923  -3.195
  324   1HA   GLY  23           HA2      GLY  23 -13.605  -3.318  -4.232
  325   2HA   GLY  23           HA1      GLY  23 -12.064  -2.834  -4.997
  326    H    PHE  24           HN       PHE  24 -10.327  -2.949  -3.930
  327    HA   PHE  24           HA       PHE  24  -8.749  -3.176  -2.331
  328   1HB   PHE  24           HB2      PHE  24 -10.532  -2.811  -0.590
  329   2HB   PHE  24           HB1      PHE  24 -10.580  -4.581  -0.408
  330    HD1  PHE  24           HD2      PHE  24  -7.993  -1.887  -1.060
  331    HD2  PHE  24           HD1      PHE  24  -8.959  -5.470   1.015
  332    HE1  PHE  24           HE2      PHE  24  -5.800  -1.912  -0.137
  333    HE2  PHE  24           HE1      PHE  24  -6.694  -5.497   1.965
  334    HZ   PHE  24           HZ       PHE  24  -5.128  -3.682   1.329
  335    OH   TYR  25           OH       TYR  25  -3.343  -0.546  -3.046
  336    H    TYR  25           HN       TYR  25  -7.715  -4.340  -3.616
  337    HA   TYR  25           HA       TYR  25  -7.270  -7.018  -4.078
  338   1HB   TYR  25           HB2      TYR  25  -5.094  -6.135  -4.953
  339   2HB   TYR  25           HB1      TYR  25  -6.479  -5.172  -5.417
  340    HD1  TYR  25           HD1      TYR  25  -6.668  -3.422  -2.709
  341    HD2  TYR  25           HD2      TYR  25  -3.437  -4.475  -5.287
  342    HE1  TYR  25           HE1      TYR  25  -5.548  -1.374  -2.131
  343    HE2  TYR  25           HE2      TYR  25  -2.334  -2.336  -4.605
  344    HH   TYR  25           HH       TYR  25  -3.914   0.053  -3.542
  345    H    THR  26           HN       THR  26  -7.263  -6.548  -1.099
  346    HA   THR  26           HA       THR  26  -5.574  -6.863   0.741
  347    HB   THR  26           HB       THR  26  -6.052  -9.267   1.365
  348    HG1  THR  26           HG1      THR  26  -5.781  -9.768  -0.973
  349   1HG2  THR  26          HG23      THR  26  -8.026  -7.567   1.414
  350   2HG2  THR  26          HG22      THR  26  -8.376  -8.095  -0.228
  351   3HG2  THR  26          HG21      THR  26  -8.477  -9.237   1.089
  352    HA   PRO  27           HA       PRO  27  -2.013  -8.645  -1.463
  353   1HB   PRO  27           HB2      PRO  27  -0.765  -6.551  -2.523
  354   2HB   PRO  27           HB1      PRO  27  -2.405  -6.978  -3.039
  355   1HG   PRO  27           HG2      PRO  27  -1.584  -4.756  -1.097
  356   2HG   PRO  27           HG1      PRO  27  -2.842  -4.724  -2.336
  357   1HD   PRO  27           HD2      PRO  27  -3.178  -5.385   0.451
  358   2HD   PRO  27           HD1      PRO  27  -4.414  -5.451  -0.829
  359    H    LYS  28           HN       LYS  28   0.349  -8.605  -1.379
  360    HA   LYS  28           HA       LYS  28   1.864  -7.460   0.647
  361   1HB   LYS  28           HB2      LYS  28   2.065  -9.265   2.193
  362   2HB   LYS  28           HB1      LYS  28   0.400  -9.495   1.732
  363   1HG   LYS  28           HG2      LYS  28   2.812 -10.984   0.528
  364   2HG   LYS  28           HG1      LYS  28   1.691 -11.645   1.681
  365   1HD   LYS  28           HD2      LYS  28  -0.136 -11.683   0.176
  366   2HD   LYS  28           HD1      LYS  28   0.570 -10.575  -0.944
  367   1HE   LYS  28           HE2      LYS  28   1.659 -13.383  -0.450
  368   2HE   LYS  28           HE1      LYS  28   0.627 -12.943  -1.810
  369   1HZ   LYS  28           HZ3      LYS  28   2.766 -11.064  -1.614
  370   2HZ   LYS  28           HZ2      LYS  28   3.492 -12.450  -1.565
  371   3HZ   LYS  28           HZ1      LYS  28   2.595 -12.047  -2.880
  372    H    THR  29           HN       THR  29   4.128  -8.198   0.168
  373    HA   THR  29           HA       THR  29   4.603  -8.528  -2.598
  374    HB   THR  29           HB       THR  29   6.410  -7.570  -1.074
  375    HG1  THR  29           HG1      THR  29   6.586  -9.698  -2.846
  376   1HG2  THR  29          HG23      THR  29   6.424  -9.514   0.644
  377   2HG2  THR  29          HG22      THR  29   7.097 -10.496  -0.652
  378   3HG2  THR  29          HG21      THR  29   7.976  -9.088  -0.079
   
  Start of MODEL           7
 Raw file had  378 H/Q atoms
  Start of MODEL    7
    1   1H    GLY   1           HT1      GLY   1   8.593  -4.552  -7.773
    2   2H    GLY   1           HT3      GLY   1   8.508  -5.755  -8.884
    3   3H    GLY   1           HT2      GLY   1   9.222  -4.294  -9.337
    4   1HA   GLY   1           HA1      GLY   1   7.101  -3.656 -10.054
    5   2HA   GLY   1           HA2      GLY   1   6.489  -5.184  -9.413
    6    H    ILE   2           HN       ILE   2   4.630  -3.468  -9.126
    7    HA   ILE   2           HA       ILE   2   4.586  -1.485  -7.160
    8    HB   ILE   2           HB       ILE   2   2.835  -2.129  -8.908
    9   1HG1  ILE   2          HG12      ILE   2   0.875  -1.544  -7.376
   10   2HG1  ILE   2          HG11      ILE   2   2.025  -1.610  -6.061
   11   1HG2  ILE   2          HG21      ILE   2   2.609  -4.590  -8.289
   12   2HG2  ILE   2          HG23      ILE   2   1.919  -4.090  -6.748
   13   3HG2  ILE   2          HG22      ILE   2   1.081  -3.734  -8.236
   14   1HD1  ILE   2           HD2      ILE   2   2.299   0.228  -8.487
   15   2HD1  ILE   2           HD1      ILE   2   1.741   0.718  -6.910
   16   3HD1  ILE   2           HD3      ILE   2   3.392   0.211  -7.116
   17    H    VAL   3           HN       VAL   3   3.985  -4.993  -6.531
   18    HA   VAL   3           HA       VAL   3   3.401  -4.701  -3.841
   19    HB   VAL   3           HB       VAL   3   3.825  -7.053  -3.917
   20   1HG1  VAL   3          HG11      VAL   3   1.768  -6.436  -4.946
   21   2HG1  VAL   3          HG13      VAL   3   2.512  -6.215  -6.513
   22   3HG1  VAL   3          HG12      VAL   3   2.387  -7.816  -5.817
   23   1HG2  VAL   3          HG22      VAL   3   5.130  -6.748  -6.643
   24   2HG2  VAL   3          HG21      VAL   3   5.899  -7.353  -5.181
   25   3HG2  VAL   3          HG23      VAL   3   4.664  -8.285  -5.960
   26    H    GLU   4           HN       GLU   4   6.594  -5.734  -5.092
   27    HA   GLU   4           HA       GLU   4   7.857  -5.514  -2.635
   28   1HB   GLU   4           HB2      GLU   4   9.302  -4.571  -5.131
   29   2HB   GLU   4           HB1      GLU   4   9.913  -5.514  -3.788
   30   1HG   GLU   4           HG2      GLU   4   9.726  -7.313  -5.224
   31   2HG   GLU   4           HG1      GLU   4   8.039  -7.300  -4.786
   32    H    GLN   5           HN       GLN   5   6.990  -3.101  -5.006
   33    HA   GLN   5           HA       GLN   5   8.258  -0.735  -4.275
   34   1HB   GLN   5           HB2      GLN   5   6.282  -1.427  -6.001
   35   2HB   GLN   5           HB1      GLN   5   5.356  -0.489  -4.858
   36   1HG   GLN   5           HG2      GLN   5   7.907   0.550  -6.204
   37   2HG   GLN   5           HG1      GLN   5   6.288   0.896  -6.768
   38   1HE2  GLN   5          HE22      GLN   5   6.104   2.556  -3.351
   39   2HE2  GLN   5          HE21      GLN   5   5.615   0.942  -3.655
   40    H    CYS   6           HN       CYS   6   5.160  -1.793  -2.973
   41    HA   CYS   6           HA       CYS   6   5.620   0.027  -0.585
   42   1HB   CYS   6           HB2      CYS   6   3.320  -1.735  -1.548
   43   2HB   CYS   6           HB1      CYS   6   3.257  -0.943   0.017
   44    H    CYS   7           HN       CYS   7   5.721  -3.445  -0.988
   45    HA   CYS   7           HA       CYS   7   5.756  -4.017   1.743
   46   1HB   CYS   7           HB2      CYS   7   5.697  -5.709   0.031
   47   2HB   CYS   7           HB1      CYS   7   7.253  -5.241  -0.579
   48    H    THR   8           HN       THR   8   8.527  -3.406  -0.347
   49    HA   THR   8           HA       THR   8  10.083  -2.302   1.981
   50    HB   THR   8           HB       THR   8  11.328  -3.742  -0.416
   51    HG1  THR   8           HG1      THR   8  10.100  -4.609   1.794
   52   1HG2  THR   8          HG23      THR   8  12.346  -2.913   2.365
   53   2HG2  THR   8          HG22      THR   8  13.283  -3.703   1.115
   54   3HG2  THR   8          HG21      THR   8  12.806  -2.027   0.925
   55    H    SER   9           HN       SER   9   9.417  -1.478  -1.478
   56    HA   SER   9           HA       SER   9  11.451   0.528  -1.301
   57   1HB   SER   9           HB2      SER   9   9.417   0.561  -3.446
   58   2HB   SER   9           HB1      SER   9  11.057   1.202  -3.416
   59    HG   SER   9           HG1      SER   9  10.304  -1.450  -3.814
   60    H    ILE  10           HN       ILE  10  10.400   1.648   0.619
   61    HA   ILE  10           HA       ILE  10   8.972   3.420   1.532
   62    HB   ILE  10           HB       ILE  10  11.096   3.921  -0.181
   63   1HG1  ILE  10          HG12      ILE  10  11.605   5.693   1.385
   64   2HG1  ILE  10          HG11      ILE  10  10.006   5.576   2.065
   65   1HG2  ILE  10          HG23      ILE  10   9.555   5.184  -1.563
   66   2HG2  ILE  10          HG22      ILE  10   9.100   6.139  -0.149
   67   3HG2  ILE  10          HG21      ILE  10  10.745   6.224  -0.769
   68   1HD1  ILE  10           HD2      ILE  10  10.522   3.170   2.782
   69   2HD1  ILE  10           HD1      ILE  10  12.110   3.358   2.061
   70   3HD1  ILE  10           HD3      ILE  10  11.662   4.290   3.469
   71    H    CYS  11           HN       CYS  11   7.319   1.855   0.013
   72    HA   CYS  11           HA       CYS  11   5.489   1.982  -1.643
   73   1HB   CYS  11           HB2      CYS  11   5.048   1.316   0.676
   74   2HB   CYS  11           HB1      CYS  11   4.630   2.947   1.047
   75    H    SER  12           HN       SER  12   4.445   4.605   0.342
   76    HA   SER  12           HA       SER  12   4.133   6.895  -0.126
   77   1HB   SER  12           HB2      SER  12   4.543   6.203  -3.061
   78   2HB   SER  12           HB1      SER  12   4.000   7.763  -2.476
   79    HG   SER  12           HG1      SER  12   6.297   6.374  -1.429
   80    H    LEU  13           HN       LEU  13   2.244   7.929  -0.005
   81    HA   LEU  13           HA       LEU  13  -0.248   6.734  -0.028
   82   1HB   LEU  13           HB2      LEU  13   0.551   9.644  -0.581
   83   2HB   LEU  13           HB1      LEU  13  -1.103   9.159  -0.382
   84    HG   LEU  13           HG       LEU  13  -0.179  10.093   1.746
   85   1HD1  LEU  13          HD11      LEU  13  -1.975   8.413   1.815
   86   2HD1  LEU  13          HD13      LEU  13  -0.797   7.121   1.920
   87   3HD1  LEU  13          HD12      LEU  13  -0.932   8.289   3.218
   88   1HD2  LEU  13          HD21      LEU  13   2.175   9.324   1.519
   89   2HD2  LEU  13          HD23      LEU  13   1.449   8.873   3.049
   90   3HD2  LEU  13          HD22      LEU  13   1.640   7.658   1.801
   91    OH   TYR  14           OH       TYR  14   2.003  13.511  -1.812
   92    H    TYR  14           HN       TYR  14   0.962   8.773  -2.556
   93    HA   TYR  14           HA       TYR  14  -0.888   8.445  -4.604
   94   1HB   TYR  14           HB2      TYR  14   2.134   8.389  -5.187
   95   2HB   TYR  14           HB1      TYR  14   0.865   9.253  -6.055
   96    HD1  TYR  14           HD1      TYR  14  -0.666  10.597  -3.997
   97    HD2  TYR  14           HD2      TYR  14   3.561  10.045  -4.233
   98    HE1  TYR  14           HE1      TYR  14  -0.323  12.555  -2.591
   99    HE2  TYR  14           HE2      TYR  14   3.867  12.044  -2.797
  100    HH   TYR  14           HH       TYR  14   1.142  13.912  -1.693
  101    H    GLN  15           HN       GLN  15   1.569   6.224  -3.584
  102    HA   GLN  15           HA       GLN  15   1.265   4.215  -5.655
  103   1HB   GLN  15           HB2      GLN  15   3.017   4.590  -3.614
  104   2HB   GLN  15           HB1      GLN  15   1.959   3.485  -2.784
  105   1HG   GLN  15           HG2      GLN  15   3.589   2.093  -3.734
  106   2HG   GLN  15           HG1      GLN  15   2.226   1.903  -4.830
  107   1HE2  GLN  15          HE22      GLN  15   5.400   4.107  -6.052
  108   2HE2  GLN  15          HE21      GLN  15   4.999   4.071  -4.404
  109    H    LEU  16           HN       LEU  16   0.171   4.197  -2.231
  110    HA   LEU  16           HA       LEU  16  -1.701   2.252  -2.254
  111   1HB   LEU  16           HB2      LEU  16  -1.829   5.025  -0.943
  112   2HB   LEU  16           HB1      LEU  16  -3.062   3.846  -0.633
  113    HG   LEU  16           HG       LEU  16  -1.164   2.254   0.048
  114   1HD1  LEU  16          HD13      LEU  16   0.449   4.773   0.145
  115   2HD1  LEU  16          HD12      LEU  16   0.881   3.246   0.884
  116   3HD1  LEU  16          HD11      LEU  16   0.766   3.353  -0.840
  117   1HD2  LEU  16          HD23      LEU  16  -2.658   3.528   1.693
  118   2HD2  LEU  16          HD22      LEU  16  -1.031   3.348   2.320
  119   3HD2  LEU  16          HD21      LEU  16  -1.535   4.866   1.602
  120    H    GLU  17           HN       GLU  17  -2.327   5.462  -3.403
  121    HA   GLU  17           HA       GLU  17  -4.977   5.120  -4.215
  122   1HB   GLU  17           HB2      GLU  17  -2.791   7.012  -5.292
  123   2HB   GLU  17           HB1      GLU  17  -4.498   7.281  -5.512
  124   1HG   GLU  17           HG2      GLU  17  -4.839   7.885  -3.223
  125   2HG   GLU  17           HG1      GLU  17  -3.415   7.042  -2.658
  126    H    ASN  18           HN       ASN  18  -2.149   5.181  -6.241
  127    HA   ASN  18           HA       ASN  18  -3.287   4.238  -8.732
  128   1HB   ASN  18           HB2      ASN  18  -0.505   4.498  -7.656
  129   2HB   ASN  18           HB1      ASN  18  -0.789   3.826  -9.240
  130   1HD2  ASN  18          HD22      ASN  18  -1.378   7.794  -8.715
  131   2HD2  ASN  18          HD21      ASN  18  -1.105   6.794  -7.359
  132    OH   TYR  19           OH       TYR  19   1.241  -4.251  -3.971
  133    H    TYR  19           HN       TYR  19  -2.595   2.580  -6.032
  134    HA   TYR  19           HA       TYR  19  -2.040  -0.015  -7.355
  135   1HB   TYR  19           HB2      TYR  19  -0.467   1.219  -5.750
  136   2HB   TYR  19           HB1      TYR  19  -1.651   1.016  -4.483
  137    HD1  TYR  19           HD2      TYR  19  -1.947  -1.939  -6.151
  138    HD2  TYR  19           HD1      TYR  19   0.883   0.226  -3.813
  139    HE1  TYR  19           HE2      TYR  19  -0.875  -4.009  -5.558
  140    HE2  TYR  19           HE1      TYR  19   1.956  -1.852  -3.220
  141    HH   TYR  19           HH       TYR  19   0.703  -5.007  -4.241
  142    H    CYS  20           HN       CYS  20  -3.667   1.304  -4.611
  143    HA   CYS  20           HA       CYS  20  -5.480   0.493  -3.348
  144   1HB   CYS  20           HB2      CYS  20  -5.853   2.378  -4.870
  145   2HB   CYS  20           HB1      CYS  20  -6.609   1.260  -5.969
  146    H    ASN  21           HN       ASN  21  -7.981  -0.301  -4.339
  147    HA   ASN  21           HA       ASN  21  -8.899  -2.422  -3.928
  148   1HB   ASN  21           HB2      ASN  21  -9.642  -2.843  -6.389
  149   2HB   ASN  21           HB1      ASN  21 -10.114  -1.373  -5.543
  150   1HD2  ASN  21          HD22      ASN  21  -6.786  -0.725  -7.800
  151   2HD2  ASN  21          HD21      ASN  21  -6.823  -1.904  -6.585
  152   1H    PHE   1           HT1      PHE   1   5.105   4.449   5.587
  153   2H    PHE   1           HT3      PHE   1   3.668   4.422   6.463
  154   3H    PHE   1           HT2      PHE   1   4.244   3.014   5.704
  155    HA   PHE   1           HA       PHE   1   3.077   3.478   3.889
  156   1HB   PHE   1           HB2      PHE   1   1.587   5.597   3.931
  157   2HB   PHE   1           HB1      PHE   1   1.306   4.427   5.186
  158    HD1  PHE   1           HD1      PHE   1   2.920   7.682   4.422
  159    HD2  PHE   1           HD2      PHE   1   1.681   4.975   7.481
  160    HE1  PHE   1           HE1      PHE   1   3.288   9.414   6.119
  161    HE2  PHE   1           HE2      PHE   1   2.060   6.706   9.162
  162    HZ   PHE   1           HZ       PHE   1   2.861   8.927   8.491
  163    H    VAL   2           HN       VAL   2   5.277   6.327   4.523
  164    HA   VAL   2           HA       VAL   2   5.542   6.487   1.555
  165    HB   VAL   2           HB       VAL   2   4.118   8.451   2.390
  166   1HG1  VAL   2          HG11      VAL   2   5.035   8.643   4.778
  167   2HG1  VAL   2          HG13      VAL   2   6.512   9.308   4.079
  168   3HG1  VAL   2          HG12      VAL   2   5.004  10.145   3.878
  169   1HG2  VAL   2          HG22      VAL   2   5.734   8.780   0.539
  170   2HG2  VAL   2          HG21      VAL   2   5.622  10.238   1.502
  171   3HG2  VAL   2          HG23      VAL   2   6.996   9.166   1.680
  172    H    ASN   3           HN       ASN   3   6.871   7.656   4.648
  173    HA   ASN   3           HA       ASN   3   9.361   6.706   3.666
  174   1HB   ASN   3           HB2      ASN   3   8.797   8.701   5.945
  175   2HB   ASN   3           HB1      ASN   3  10.410   8.283   5.388
  176   1HD2  ASN   3          HD22      ASN   3   8.661  11.155   3.471
  177   2HD2  ASN   3          HD21      ASN   3   8.174  10.696   5.044
  178    H    GLN   4           HN       GLN   4   7.355   5.203   4.897
  179    HA   GLN   4           HA       GLN   4   8.942   3.626   6.892
  180   1HB   GLN   4           HB2      GLN   4   6.002   3.828   7.432
  181   2HB   GLN   4           HB1      GLN   4   7.345   3.433   8.470
  182   1HG   GLN   4           HG2      GLN   4   7.016   5.580   9.191
  183   2HG   GLN   4           HG1      GLN   4   8.143   5.908   7.894
  184   1HE2  GLN   4          HE22      GLN   4   4.894   7.909   7.588
  185   2HE2  GLN   4          HE21      GLN   4   5.824   7.582   8.974
  186    H    HIS   5           HN       HIS   5   9.186   1.802   5.513
  187    HA   HIS   5           HA       HIS   5   7.630   0.886   3.468
  188   1HB   HIS   5           HB2      HIS   5   8.990  -1.060   5.312
  189   2HB   HIS   5           HB1      HIS   5   8.752  -1.117   3.574
  190    HD1  HIS   5           HD1      HIS   5  10.249   0.134   2.201
  191    HD2  HIS   5           HD2      HIS   5  11.023   0.805   6.080
  192    HE1  HIS   5           HE1      HIS   5  12.393   1.328   2.204
  193    H    LEU   6           HN       LEU   6   6.195  -1.142   3.276
  194    HA   LEU   6           HA       LEU   6   4.513  -1.391   5.767
  195   1HB   LEU   6           HB2      LEU   6   3.493  -1.328   2.973
  196   2HB   LEU   6           HB1      LEU   6   2.684  -1.399   4.530
  197    HG   LEU   6           HG       LEU   6   3.961   0.798   5.106
  198   1HD1  LEU   6          HD12      LEU   6   5.182   0.728   2.870
  199   2HD1  LEU   6          HD11      LEU   6   3.622   0.786   2.096
  200   3HD1  LEU   6          HD13      LEU   6   4.211   2.163   2.991
  201   1HD2  LEU   6          HD22      LEU   6   1.469   0.408   4.928
  202   2HD2  LEU   6          HD21      LEU   6   1.861   1.974   4.286
  203   3HD2  LEU   6          HD23      LEU   6   1.569   0.645   3.196
  204    H    CYS   7           HN       CYS   7   6.145  -3.461   3.604
  205    HA   CYS   7           HA       CYS   7   5.058  -5.688   3.019
  206   1HB   CYS   7           HB2      CYS   7   7.187  -5.563   5.170
  207   2HB   CYS   7           HB1      CYS   7   6.785  -7.041   4.363
  208    H    GLY   8           HN       GLY   8   2.851  -5.829   3.860
  209   1HA   GLY   8           HA2      GLY   8   1.700  -7.860   4.979
  210   2HA   GLY   8           HA1      GLY   8   2.616  -7.445   6.415
  211    H    SER   9           HN       SER   9   0.788  -7.190   7.712
  212    HA   SER   9           HA       SER   9  -1.658  -5.993   7.406
  213   1HB   SER   9           HB2      SER   9   0.167  -5.224   9.729
  214   2HB   SER   9           HB1      SER   9  -1.596  -5.098   9.682
  215    HG   SER   9           HG1      SER   9  -1.694  -7.225   9.991
  216    H    HIS  10           HN       HIS  10   1.116  -4.103   8.363
  217    HA   HIS  10           HA       HIS  10   0.144  -1.554   8.223
  218   1HB   HIS  10           HB2      HIS  10   2.591  -2.242   8.776
  219   2HB   HIS  10           HB1      HIS  10   2.894  -2.384   7.057
  220    HD1  HIS  10           HD1      HIS  10   4.588  -0.300   7.441
  221    HD2  HIS  10           HD2      HIS  10   0.636   0.518   8.016
  222    HE1  HIS  10           HE1      HIS  10   4.414   2.142   7.480
  223    H    LEU  11           HN       LEU  11   1.661  -3.175   5.527
  224    HA   LEU  11           HA       LEU  11   1.057  -1.406   3.426
  225   1HB   LEU  11           HB2      LEU  11   2.579  -3.557   3.521
  226   2HB   LEU  11           HB1      LEU  11   1.158  -4.478   3.173
  227    HG   LEU  11           HG       LEU  11   1.840  -2.118   1.503
  228   1HD1  LEU  11          HD12      LEU  11   3.152  -4.874   1.327
  229   2HD1  LEU  11          HD11      LEU  11   3.298  -3.615   0.117
  230   3HD1  LEU  11          HD13      LEU  11   3.920  -3.342   1.733
  231   1HD2  LEU  11          HD21      LEU  11  -0.217  -3.656   1.126
  232   2HD2  LEU  11          HD23      LEU  11   0.862  -3.688  -0.258
  233   3HD2  LEU  11          HD22      LEU  11   0.866  -5.003   0.900
  234    H    VAL  12           HN       VAL  12  -0.716  -4.282   4.024
  235    HA   VAL  12           HA       VAL  12  -2.844  -3.678   2.187
  236    HB   VAL  12           HB       VAL  12  -4.162  -5.366   3.496
  237   1HG1  VAL  12          HG11      VAL  12  -2.631  -6.020   1.703
  238   2HG1  VAL  12          HG13      VAL  12  -1.298  -6.128   2.834
  239   3HG1  VAL  12          HG12      VAL  12  -2.661  -7.239   2.956
  240   1HG2  VAL  12          HG23      VAL  12  -1.623  -5.468   5.166
  241   2HG2  VAL  12          HG22      VAL  12  -3.185  -4.967   5.755
  242   3HG2  VAL  12          HG21      VAL  12  -2.915  -6.625   5.270
  243    H    GLU  13           HN       GLU  13  -2.916  -3.070   5.699
  244    HA   GLU  13           HA       GLU  13  -5.509  -1.921   5.778
  245   1HB   GLU  13           HB2      GLU  13  -3.731  -2.935   7.498
  246   2HB   GLU  13           HB1      GLU  13  -3.199  -1.277   7.634
  247   1HG   GLU  13           HG2      GLU  13  -5.173  -0.608   8.643
  248   2HG   GLU  13           HG1      GLU  13  -6.167  -1.804   7.816
  249    H    ALA  14           HN       ALA  14  -2.363  -0.468   5.630
  250    HA   ALA  14           HA       ALA  14  -2.901   2.257   5.550
  251   1HB   ALA  14           HB3      ALA  14  -1.095   0.460   3.941
  252   2HB   ALA  14           HB2      ALA  14  -0.812   2.184   4.071
  253   3HB   ALA  14           HB1      ALA  14  -0.734   1.121   5.509
  254    H    LEU  15           HN       LEU  15  -2.402   0.246   2.842
  255    HA   LEU  15           HA       LEU  15  -3.265   1.688   0.702
  256   1HB   LEU  15           HB2      LEU  15  -3.106  -1.103   1.650
  257   2HB   LEU  15           HB1      LEU  15  -4.039  -0.980   0.263
  258    HG   LEU  15           HG       LEU  15  -1.131   0.076   0.479
  259   1HD1  LEU  15          HD12      LEU  15  -2.568  -2.430  -0.677
  260   2HD1  LEU  15          HD11      LEU  15  -0.827  -2.197  -0.708
  261   3HD1  LEU  15          HD13      LEU  15  -1.692  -2.434   0.806
  262   1HD2  LEU  15          HD22      LEU  15  -2.728   1.034  -1.225
  263   2HD2  LEU  15          HD21      LEU  15  -1.260   0.245  -1.842
  264   3HD2  LEU  15          HD23      LEU  15  -2.789  -0.521  -1.964
  265    OH   TYR  16           OH       TYR  16 -12.213  -2.879   1.520
  266    H    TYR  16           HN       TYR  16  -5.039  -0.515   2.584
  267    HA   TYR  16           HA       TYR  16  -7.446  -0.292   1.498
  268   1HB   TYR  16           HB2      TYR  16  -6.625  -1.715   3.628
  269   2HB   TYR  16           HB1      TYR  16  -7.464  -0.452   4.537
  270    HD1  TYR  16           HD2      TYR  16  -9.864   0.043   4.042
  271    HD2  TYR  16           HD1      TYR  16  -7.753  -3.041   2.061
  272    HE1  TYR  16           HE2      TYR  16 -11.925  -0.784   3.139
  273    HE2  TYR  16           HE1      TYR  16  -9.873  -3.899   1.153
  274    HH   TYR  16           HH       TYR  16 -12.893  -2.245   1.776
  275    H    LEU  17           HN       LEU  17  -6.645   1.676   4.338
  276    HA   LEU  17           HA       LEU  17  -9.066   3.156   4.088
  277   1HB   LEU  17           HB2      LEU  17  -6.432   3.749   5.470
  278   2HB   LEU  17           HB1      LEU  17  -7.794   4.895   5.480
  279    HG   LEU  17           HG       LEU  17  -9.107   3.203   6.013
  280   1HD1  LEU  17          HD11      LEU  17  -6.610   1.704   6.950
  281   2HD1  LEU  17          HD13      LEU  17  -8.186   1.276   7.589
  282   3HD1  LEU  17          HD12      LEU  17  -7.875   1.112   5.886
  283   1HD2  LEU  17          HD21      LEU  17  -8.565   4.905   7.710
  284   2HD2  LEU  17          HD23      LEU  17  -8.598   3.403   8.616
  285   3HD2  LEU  17          HD22      LEU  17  -7.059   4.090   8.115
  286    H    VAL  18           HN       VAL  18  -5.888   3.805   2.884
  287    HA   VAL  18           HA       VAL  18  -6.833   6.332   2.375
  288    HB   VAL  18           HB       VAL  18  -4.584   4.659   1.012
  289   1HG1  VAL  18          HG13      VAL  18  -4.971   7.680   0.629
  290   2HG1  VAL  18          HG12      VAL  18  -3.603   6.764   0.039
  291   3HG1  VAL  18          HG11      VAL  18  -5.189   6.489  -0.628
  292   1HG2  VAL  18          HG22      VAL  18  -4.477   7.024   2.951
  293   2HG2  VAL  18          HG21      VAL  18  -4.276   5.341   3.406
  294   3HG2  VAL  18          HG23      VAL  18  -3.082   6.128   2.387
  295    H    CYS  19           HN       CYS  19  -6.788   3.572   0.277
  296    HA   CYS  19           HA       CYS  19  -8.945   4.759  -1.465
  297   1HB   CYS  19           HB2      CYS  19  -6.762   5.020  -2.556
  298   2HB   CYS  19           HB1      CYS  19  -6.449   3.310  -2.382
  299    H    GLY  20           HN       GLY  20  -7.871   2.193   0.323
  300   1HA   GLY  20           HA2      GLY  20  -8.766  -0.133  -0.764
  301   2HA   GLY  20           HA1      GLY  20  -9.042   0.153   0.936
  302    H    GLU  21           HN       GLU  21 -10.563   1.682   1.290
  303    HA   GLU  21           HA       GLU  21 -12.973   0.842   1.783
  304   1HB   GLU  21           HB2      GLU  21 -11.953   3.547   0.766
  305   2HB   GLU  21           HB1      GLU  21 -13.559   3.409   1.517
  306   1HG   GLU  21           HG2      GLU  21 -10.862   2.764   2.789
  307   2HG   GLU  21           HG1      GLU  21 -11.976   4.032   3.202
  308    NH1  ARG  22           NH2      ARG  22 -10.994   0.842  -6.326
  309    NH2  ARG  22           NH1      ARG  22  -9.076   1.900  -6.394
  310    H    ARG  22           HN       ARG  22 -12.074   1.338  -1.447
  311    HA   ARG  22           HA       ARG  22 -14.711   1.025  -2.706
  312   1HB   ARG  22           HB2      ARG  22 -11.964   0.833  -3.918
  313   2HB   ARG  22           HB1      ARG  22 -13.456   1.209  -4.791
  314   1HG   ARG  22           HG2      ARG  22 -13.533   3.423  -3.681
  315   2HG   ARG  22           HG1      ARG  22 -12.112   3.025  -2.737
  316   1HD   ARG  22           HD2      ARG  22 -12.222   3.309  -5.785
  317   2HD   ARG  22           HD1      ARG  22 -11.328   4.306  -4.645
  318    HE   ARG  22           HE       ARG  22 -10.009   2.208  -4.007
  319   1HH1  ARG  22          HH21      ARG  22 -11.860   0.753  -5.862
  320   2HH1  ARG  22          HH22      ARG  22 -10.729   0.305  -7.122
  321   1HH2  ARG  22          HH11      ARG  22  -8.498   2.591  -5.965
  322   2HH2  ARG  22          HH12      ARG  22  -8.786   1.393  -7.199
  323    H    GLY  23           HN       GLY  23 -11.672  -1.065  -2.668
  324   1HA   GLY  23           HA2      GLY  23 -13.102  -3.565  -2.435
  325   2HA   GLY  23           HA1      GLY  23 -12.694  -3.241  -4.144
  326    H    PHE  24           HN       PHE  24 -11.109  -2.994  -0.969
  327    HA   PHE  24           HA       PHE  24  -8.591  -3.784  -2.410
  328   1HB   PHE  24           HB2      PHE  24  -9.054  -1.659  -1.803
  329   2HB   PHE  24           HB1      PHE  24  -8.708  -2.059  -0.120
  330    HD1  PHE  24           HD1      PHE  24  -6.833  -4.287  -2.161
  331    HD2  PHE  24           HD2      PHE  24  -6.906  -0.167  -0.909
  332    HE1  PHE  24           HE1      PHE  24  -4.576  -4.080  -2.714
  333    HE2  PHE  24           HE2      PHE  24  -4.617  -0.024  -1.490
  334    HZ   PHE  24           HZ       PHE  24  -3.539  -2.123  -2.476
  335    OH   TYR  25           OH       TYR  25  -4.950  -5.313   7.375
  336    H    TYR  25           HN       TYR  25  -7.085  -3.633  -0.073
  337    HA   TYR  25           HA       TYR  25  -5.819  -4.687   1.505
  338   1HB   TYR  25           HB2      TYR  25  -8.425  -5.031   2.279
  339   2HB   TYR  25           HB1      TYR  25  -7.891  -6.691   2.145
  340    HD1  TYR  25           HD1      TYR  25  -5.916  -7.462   3.549
  341    HD2  TYR  25           HD2      TYR  25  -7.676  -3.635   4.168
  342    HE1  TYR  25           HE1      TYR  25  -4.795  -7.210   5.759
  343    HE2  TYR  25           HE2      TYR  25  -6.527  -3.456   6.349
  344    HH   TYR  25           HH       TYR  25  -5.351  -4.643   7.962
  345    H    THR  26           HN       THR  26  -6.481  -6.026  -1.349
  346    HA   THR  26           HA       THR  26  -5.016  -8.612  -0.831
  347    HB   THR  26           HB       THR  26  -7.316  -8.853  -1.716
  348    HG1  THR  26           HG1      THR  26  -5.326  -9.379  -3.645
  349   1HG2  THR  26          HG23      THR  26  -6.102  -7.617  -4.257
  350   2HG2  THR  26          HG22      THR  26  -7.687  -8.330  -4.075
  351   3HG2  THR  26          HG21      THR  26  -7.307  -6.825  -3.282
  352    HA   PRO  27           HA       PRO  27  -2.704  -5.626  -3.867
  353   1HB   PRO  27           HB2      PRO  27  -0.781  -4.451  -2.375
  354   2HB   PRO  27           HB1      PRO  27  -2.455  -3.908  -2.309
  355   1HG   PRO  27           HG2      PRO  27  -1.108  -6.033  -0.505
  356   2HG   PRO  27           HG1      PRO  27  -1.865  -4.541   0.043
  357   1HD   PRO  27           HD2      PRO  27  -3.366  -6.773   0.022
  358   2HD   PRO  27           HD1      PRO  27  -4.057  -5.254  -0.622
  359    H    LYS  28           HN       LYS  28  -1.301  -7.974  -1.752
  360    HA   LYS  28           HA       LYS  28   0.271  -9.496  -1.897
  361   1HB   LYS  28           HB2      LYS  28  -1.033  -9.805  -4.118
  362   2HB   LYS  28           HB1      LYS  28   0.190  -8.856  -4.907
  363   1HG   LYS  28           HG2      LYS  28   0.450 -11.374  -5.199
  364   2HG   LYS  28           HG1      LYS  28   1.895 -10.573  -4.642
  365   1HD   LYS  28           HD2      LYS  28   1.221 -11.267  -2.203
  366   2HD   LYS  28           HD1      LYS  28  -0.202 -11.997  -2.868
  367   1HE   LYS  28           HE2      LYS  28   1.650 -13.604  -2.225
  368   2HE   LYS  28           HE1      LYS  28   1.159 -13.773  -3.907
  369   1HZ   LYS  28           HZ2      LYS  28   3.171 -11.782  -3.759
  370   2HZ   LYS  28           HZ1      LYS  28   3.730 -12.865  -2.825
  371   3HZ   LYS  28           HZ3      LYS  28   3.431 -13.276  -4.441
  372    H    THR  29           HN       THR  29   2.121  -9.974  -2.922
  373    HA   THR  29           HA       THR  29   4.471  -8.926  -3.834
  374    HB   THR  29           HB       THR  29   4.348  -7.269  -1.712
  375    HG1  THR  29           HG1      THR  29   6.283  -9.129  -2.479
  376   1HG2  THR  29          HG22      THR  29   5.509  -9.780  -0.430
  377   2HG2  THR  29          HG21      THR  29   5.360  -8.190   0.293
  378   3HG2  THR  29          HG23      THR  29   3.922  -9.180   0.017
   
  Start of MODEL           8
 Raw file had  378 H/Q atoms
  Start of MODEL    8
    1   1H    GLY   1           HT1      GLY   1   7.868  -4.285  -7.413
    2   2H    GLY   1           HT3      GLY   1   7.928  -5.712  -8.280
    3   3H    GLY   1           HT2      GLY   1   8.177  -4.250  -9.090
    4   1HA   GLY   1           HA1      GLY   1   5.914  -4.125  -9.472
    5   2HA   GLY   1           HA2      GLY   1   5.693  -5.610  -8.545
    6    H    ILE   2           HN       ILE   2   3.656  -4.418  -7.794
    7    HA   ILE   2           HA       ILE   2   4.000  -2.090  -6.139
    8    HB   ILE   2           HB       ILE   2   1.548  -2.790  -5.457
    9   1HG1  ILE   2          HG12      ILE   2   0.477  -3.504  -7.321
   10   2HG1  ILE   2          HG11      ILE   2   1.998  -3.715  -8.212
   11   1HG2  ILE   2          HG21      ILE   2   2.529  -1.484  -8.029
   12   2HG2  ILE   2          HG23      ILE   2   0.932  -1.377  -7.330
   13   3HG2  ILE   2          HG22      ILE   2   2.305  -0.696  -6.478
   14   1HD1  ILE   2           HD1      ILE   2   1.067  -5.345  -5.782
   15   2HD1  ILE   2           HD3      ILE   2   1.027  -5.945  -7.426
   16   3HD1  ILE   2           HD2      ILE   2   2.568  -5.661  -6.662
   17    H    VAL   3           HN       VAL   3   3.192  -5.446  -5.093
   18    HA   VAL   3           HA       VAL   3   2.955  -4.529  -2.389
   19    HB   VAL   3           HB       VAL   3   3.916  -7.335  -3.237
   20   1HG1  VAL   3          HG12      VAL   3   3.771  -6.792  -0.762
   21   2HG1  VAL   3          HG11      VAL   3   2.088  -6.353  -0.981
   22   3HG1  VAL   3          HG13      VAL   3   2.593  -8.014  -1.210
   23   1HG2  VAL   3          HG22      VAL   3   1.086  -6.272  -3.260
   24   2HG2  VAL   3          HG21      VAL   3   2.009  -6.801  -4.657
   25   3HG2  VAL   3          HG23      VAL   3   1.542  -7.970  -3.469
   26    H    GLU   4           HN       GLU   4   5.631  -6.140  -4.011
   27    HA   GLU   4           HA       GLU   4   7.499  -5.761  -2.006
   28   1HB   GLU   4           HB2      GLU   4   9.214  -5.939  -3.827
   29   2HB   GLU   4           HB1      GLU   4   7.947  -7.121  -4.024
   30   1HG   GLU   4           HG2      GLU   4   7.737  -4.507  -5.519
   31   2HG   GLU   4           HG1      GLU   4   8.815  -5.764  -6.094
   32    H    GLN   5           HN       GLN   5   6.302  -3.446  -4.554
   33    HA   GLN   5           HA       GLN   5   7.994  -1.275  -4.205
   34   1HB   GLN   5           HB2      GLN   5   6.005  -1.175  -5.807
   35   2HB   GLN   5           HB1      GLN   5   4.952  -1.010  -4.433
   36   1HG   GLN   5           HG2      GLN   5   5.137   1.229  -4.972
   37   2HG   GLN   5           HG1      GLN   5   6.423   1.114  -3.800
   38   1HE2  GLN   5          HE22      GLN   5   8.167   1.026  -7.311
   39   2HE2  GLN   5          HE21      GLN   5   7.331  -0.354  -6.724
   40    H    CYS   6           HN       CYS   6   5.088  -1.913  -2.527
   41    HA   CYS   6           HA       CYS   6   5.415   0.062  -0.366
   42   1HB   CYS   6           HB2      CYS   6   3.328  -0.669  -1.790
   43   2HB   CYS   6           HB1      CYS   6   3.318  -2.116  -0.879
   44    H    CYS   7           HN       CYS   7   6.579  -3.012  -0.634
   45    HA   CYS   7           HA       CYS   7   6.847  -3.196   2.247
   46   1HB   CYS   7           HB2      CYS   7   5.355  -4.839   1.403
   47   2HB   CYS   7           HB1      CYS   7   6.467  -5.332   0.167
   48    H    THR   8           HN       THR   8   8.619  -4.537  -0.542
   49    HA   THR   8           HA       THR   8  11.117  -4.783   1.002
   50    HB   THR   8           HB       THR   8  10.821  -5.993  -1.345
   51    HG1  THR   8           HG1      THR   8  12.945  -4.409  -0.335
   52   1HG2  THR   8          HG23      THR   8  10.398  -3.753  -2.700
   53   2HG2  THR   8          HG22      THR   8  12.040  -3.334  -2.276
   54   3HG2  THR   8          HG21      THR   8  11.739  -4.751  -3.235
   55    H    SER   9           HN       SER   9   9.735  -2.509  -1.065
   56    HA   SER   9           HA       SER   9  11.729  -0.535  -0.456
   57   1HB   SER   9           HB2      SER   9  10.695   0.557  -2.668
   58   2HB   SER   9           HB1      SER   9  11.816  -0.801  -2.802
   59    HG   SER   9           HG1      SER   9   9.076  -1.330  -2.369
   60    H    ILE  10           HN       ILE  10  10.309   1.683  -1.331
   61    HA   ILE  10           HA       ILE  10   8.630   1.993   0.904
   62    HB   ILE  10           HB       ILE  10  10.082   3.628  -0.906
   63   1HG1  ILE  10          HG12      ILE  10  11.021   4.317   1.553
   64   2HG1  ILE  10          HG11      ILE  10  10.342   2.751   1.951
   65   1HG2  ILE  10          HG21      ILE  10   8.291   4.566   1.253
   66   2HG2  ILE  10          HG23      ILE  10   9.528   5.561   0.446
   67   3HG2  ILE  10          HG22      ILE  10   8.155   4.928  -0.478
   68   1HD1  ILE  10           HD3      ILE  10  12.400   3.239  -0.203
   69   2HD1  ILE  10           HD2      ILE  10  12.676   2.568   1.404
   70   3HD1  ILE  10           HD1      ILE  10  11.729   1.680   0.241
   71    H    CYS  11           HN       CYS  11   6.731   2.792   1.108
   72    HA   CYS  11           HA       CYS  11   4.900   2.717  -1.248
   73   1HB   CYS  11           HB2      CYS  11   4.636   1.407   1.068
   74   2HB   CYS  11           HB1      CYS  11   3.876   2.883   1.575
   75    H    SER  12           HN       SER  12   2.768   4.283  -0.322
   76    HA   SER  12           HA       SER  12   3.301   6.771   0.702
   77   1HB   SER  12           HB2      SER  12   4.457   6.579  -1.965
   78   2HB   SER  12           HB1      SER  12   3.312   7.911  -1.889
   79    HG   SER  12           HG1      SER  12   5.514   7.279  -0.317
   80    H    LEU  13           HN       LEU  13   1.410   7.912   0.962
   81    HA   LEU  13           HA       LEU  13  -1.163   7.290   0.481
   82   1HB   LEU  13           HB2      LEU  13  -0.731   9.489   1.353
   83   2HB   LEU  13           HB1      LEU  13   0.109  10.008  -0.097
   84    HG   LEU  13           HG       LEU  13  -2.024   9.983  -1.361
   85   1HD1  LEU  13          HD12      LEU  13  -3.277   9.196   1.324
   86   2HD1  LEU  13          HD11      LEU  13  -4.154   9.594  -0.138
   87   3HD1  LEU  13          HD13      LEU  13  -3.191   8.148  -0.083
   88   1HD2  LEU  13          HD21      LEU  13  -2.232  11.432   1.308
   89   2HD2  LEU  13          HD23      LEU  13  -1.394  12.037  -0.112
   90   3HD2  LEU  13          HD22      LEU  13  -3.131  11.818  -0.143
   91    OH   TYR  14           OH       TYR  14   3.794  11.914  -1.262
   92    H    TYR  14           HN       TYR  14   0.291   9.054  -2.197
   93    HA   TYR  14           HA       TYR  14  -1.695   8.397  -4.176
   94   1HB   TYR  14           HB2      TYR  14   0.778   8.804  -5.597
   95   2HB   TYR  14           HB1      TYR  14  -0.419  10.029  -5.271
   96    HD1  TYR  14           HD2      TYR  14  -0.244  11.416  -3.223
   97    HD2  TYR  14           HD1      TYR  14   2.858   8.745  -4.348
   98    HE1  TYR  14           HE2      TYR  14   1.279  12.538  -1.672
   99    HE2  TYR  14           HE1      TYR  14   4.385   9.876  -2.787
  100    HH   TYR  14           HH       TYR  14   3.951  12.751  -1.727
  101    H    GLN  15           HN       GLN  15   1.317   6.889  -3.324
  102    HA   GLN  15           HA       GLN  15   1.636   4.787  -5.203
  103   1HB   GLN  15           HB2      GLN  15   3.048   5.411  -3.034
  104   2HB   GLN  15           HB1      GLN  15   1.969   4.313  -2.205
  105   1HG   GLN  15           HG2      GLN  15   3.665   2.819  -2.710
  106   2HG   GLN  15           HG1      GLN  15   2.654   2.602  -4.100
  107   1HE2  GLN  15          HE22      GLN  15   6.227   3.987  -4.715
  108   2HE2  GLN  15          HE21      GLN  15   5.855   3.329  -3.210
  109    H    LEU  16           HN       LEU  16  -0.064   4.716  -2.096
  110    HA   LEU  16           HA       LEU  16  -1.390   2.313  -2.384
  111   1HB   LEU  16           HB2      LEU  16  -2.250   4.920  -0.826
  112   2HB   LEU  16           HB1      LEU  16  -3.095   3.431  -0.628
  113    HG   LEU  16           HG       LEU  16  -0.838   2.369   0.028
  114   1HD1  LEU  16          HD12      LEU  16  -0.023   5.199   0.302
  115   2HD1  LEU  16          HD11      LEU  16   0.820   3.818   0.993
  116   3HD1  LEU  16          HD13      LEU  16   0.706   3.963  -0.735
  117   1HD2  LEU  16          HD23      LEU  16  -2.605   3.168   1.760
  118   2HD2  LEU  16          HD22      LEU  16  -0.975   3.333   2.356
  119   3HD2  LEU  16          HD21      LEU  16  -1.828   4.725   1.735
  120    H    GLU  17           HN       GLU  17  -2.829   5.488  -2.960
  121    HA   GLU  17           HA       GLU  17  -5.178   4.838  -4.197
  122   1HB   GLU  17           HB2      GLU  17  -3.211   7.053  -4.210
  123   2HB   GLU  17           HB1      GLU  17  -4.110   7.059  -5.704
  124   1HG   GLU  17           HG2      GLU  17  -5.351   6.926  -2.869
  125   2HG   GLU  17           HG1      GLU  17  -5.338   8.371  -3.839
  126    H    ASN  18           HN       ASN  18  -2.268   5.178  -5.998
  127    HA   ASN  18           HA       ASN  18  -3.262   4.287  -8.543
  128   1HB   ASN  18           HB2      ASN  18  -1.141   5.661  -8.188
  129   2HB   ASN  18           HB1      ASN  18  -0.401   4.285  -7.402
  130   1HD2  ASN  18          HD22      ASN  18  -0.811   3.045 -11.086
  131   2HD2  ASN  18          HD21      ASN  18  -2.096   2.921  -9.975
  132    OH   TYR  19           OH       TYR  19   2.686   2.687  -9.825
  133    H    TYR  19           HN       TYR  19  -1.949   2.668  -5.835
  134    HA   TYR  19           HA       TYR  19  -2.336  -0.018  -7.079
  135   1HB   TYR  19           HB2      TYR  19  -0.378   0.846  -4.875
  136   2HB   TYR  19           HB1      TYR  19  -0.352  -0.708  -5.690
  137    HD1  TYR  19           HD1      TYR  19  -0.673   0.001  -8.529
  138    HD2  TYR  19           HD2      TYR  19   1.514   2.013  -5.519
  139    HE1  TYR  19           HE1      TYR  19   0.755   1.043 -10.240
  140    HE2  TYR  19           HE2      TYR  19   2.938   3.050  -7.245
  141    HH   TYR  19           HH       TYR  19   2.182   3.497  -9.991
  142    H    CYS  20           HN       CYS  20  -4.404   1.290  -5.999
  143    HA   CYS  20           HA       CYS  20  -5.107  -0.180  -3.487
  144   1HB   CYS  20           HB2      CYS  20  -5.211   2.252  -3.363
  145   2HB   CYS  20           HB1      CYS  20  -6.090   2.352  -4.844
  146    H    ASN  21           HN       ASN  21  -7.931   0.306  -4.136
  147    HA   ASN  21           HA       ASN  21  -9.672  -1.067  -4.723
  148   1HB   ASN  21           HB2      ASN  21  -9.842  -0.850  -7.401
  149   2HB   ASN  21           HB1      ASN  21 -10.264   0.436  -6.317
  150   1HD2  ASN  21          HD22      ASN  21  -6.636   0.941  -8.068
  151   2HD2  ASN  21          HD21      ASN  21  -6.988  -0.592  -7.394
  152   1H    PHE   1           HT1      PHE   1   5.991  10.255   0.741
  153   2H    PHE   1           HT3      PHE   1   4.581   9.487   0.376
  154   3H    PHE   1           HT2      PHE   1   4.711  11.107   0.036
  155    HA   PHE   1           HA       PHE   1   4.139  11.762   2.102
  156   1HB   PHE   1           HB2      PHE   1   2.741  10.134   3.311
  157   2HB   PHE   1           HB1      PHE   1   2.517   9.812   1.619
  158    HD1  PHE   1           HD1      PHE   1   5.551   8.211   1.777
  159    HD2  PHE   1           HD2      PHE   1   1.701   7.943   3.635
  160    HE1  PHE   1           HE1      PHE   1   5.916   5.850   2.242
  161    HE2  PHE   1           HE2      PHE   1   2.115   5.573   4.082
  162    HZ   PHE   1           HZ       PHE   1   4.217   4.532   3.393
  163    H    VAL   2           HN       VAL   2   5.054   8.910   3.988
  164    HA   VAL   2           HA       VAL   2   7.469  10.367   5.012
  165    HB   VAL   2           HB       VAL   2   5.442  10.122   6.364
  166   1HG1  VAL   2          HG13      VAL   2   4.626   7.857   5.667
  167   2HG1  VAL   2          HG12      VAL   2   6.068   7.126   6.343
  168   3HG1  VAL   2          HG11      VAL   2   4.897   7.880   7.393
  169   1HG2  VAL   2          HG21      VAL   2   7.634  10.343   7.510
  170   2HG2  VAL   2          HG23      VAL   2   6.624   9.254   8.441
  171   3HG2  VAL   2          HG22      VAL   2   7.887   8.610   7.411
  172    H    ASN   3           HN       ASN   3   7.315   9.037   2.885
  173    HA   ASN   3           HA       ASN   3   7.776   6.859   1.797
  174   1HB   ASN   3           HB2      ASN   3   9.943   8.938   2.184
  175   2HB   ASN   3           HB1      ASN   3  10.212   7.613   1.067
  176   1HD2  ASN   3          HD22      ASN   3   8.462   9.436  -1.336
  177   2HD2  ASN   3          HD21      ASN   3   9.856   8.541  -0.949
  178    H    GLN   4           HN       GLN   4   7.555   5.289   3.653
  179    HA   GLN   4           HA       GLN   4  10.109   3.873   4.103
  180   1HB   GLN   4           HB2      GLN   4   8.512   5.186   5.985
  181   2HB   GLN   4           HB1      GLN   4   7.996   3.512   6.104
  182   1HG   GLN   4           HG2      GLN   4   9.871   3.731   7.662
  183   2HG   GLN   4           HG1      GLN   4  10.533   2.900   6.272
  184   1HE2  GLN   4          HE22      GLN   4  11.705   6.654   5.942
  185   2HE2  GLN   4          HE21      GLN   4  10.053   6.330   5.705
  186    H    HIS   5           HN       HIS   5   8.965   1.757   5.235
  187    HA   HIS   5           HA       HIS   5   7.546   0.463   3.084
  188   1HB   HIS   5           HB2      HIS   5   9.028  -1.067   5.242
  189   2HB   HIS   5           HB1      HIS   5   8.637  -1.563   3.599
  190    HD1  HIS   5           HD1      HIS   5  10.142  -0.905   1.886
  191    HD2  HIS   5           HD2      HIS   5  11.092   0.926   5.359
  192    HE1  HIS   5           HE1      HIS   5  12.332   0.269   1.497
  193    H    LEU   6           HN       LEU   6   5.862  -1.078   3.488
  194    HA   LEU   6           HA       LEU   6   4.473  -0.779   6.129
  195   1HB   LEU   6           HB2      LEU   6   3.243  -1.121   3.443
  196   2HB   LEU   6           HB1      LEU   6   2.436  -1.042   5.004
  197    HG   LEU   6           HG       LEU   6   4.326   1.159   4.183
  198   1HD1  LEU   6          HD13      LEU   6   1.305   0.926   3.743
  199   2HD1  LEU   6          HD12      LEU   6   2.252   2.371   3.423
  200   3HD1  LEU   6          HD11      LEU   6   2.511   0.923   2.477
  201   1HD2  LEU   6          HD22      LEU   6   1.953   0.984   6.089
  202   2HD2  LEU   6          HD21      LEU   6   3.640   1.006   6.571
  203   3HD2  LEU   6          HD23      LEU   6   2.940   2.414   5.818
  204    H    CYS   7           HN       CYS   7   4.746  -2.948   3.498
  205    HA   CYS   7           HA       CYS   7   4.428  -5.244   3.199
  206   1HB   CYS   7           HB2      CYS   7   5.830  -5.109   5.877
  207   2HB   CYS   7           HB1      CYS   7   5.622  -6.615   5.031
  208    H    GLY   8           HN       GLY   8   3.666  -7.321   4.082
  209   1HA   GLY   8           HA2      GLY   8   1.408  -8.291   4.388
  210   2HA   GLY   8           HA1      GLY   8   2.149  -8.342   5.966
  211    H    SER   9           HN       SER   9   1.025  -7.418   7.622
  212    HA   SER   9           HA       SER   9  -1.676  -6.461   7.174
  213   1HB   SER   9           HB2      SER   9  -1.885  -6.366   9.524
  214   2HB   SER   9           HB1      SER   9  -0.690  -7.622   9.286
  215    HG   SER   9           HG1      SER   9  -0.485  -5.052  10.161
  216    H    HIS  10           HN       HIS  10   0.878  -4.575   8.754
  217    HA   HIS  10           HA       HIS  10  -0.085  -2.049   8.763
  218   1HB   HIS  10           HB2      HIS  10   2.588  -3.210   8.584
  219   2HB   HIS  10           HB1      HIS  10   2.567  -1.801   7.551
  220    HD1  HIS  10           HD1      HIS  10   4.138  -0.799   9.297
  221    HD2  HIS  10           HD2      HIS  10   0.390  -1.388  10.750
  222    HE1  HIS  10           HE1      HIS  10   3.973   0.558  11.405
  223    H    LEU  11           HN       LEU  11   1.189  -3.543   5.960
  224    HA   LEU  11           HA       LEU  11   0.705  -1.410   4.071
  225   1HB   LEU  11           HB2      LEU  11   2.349  -3.316   4.001
  226   2HB   LEU  11           HB1      LEU  11   1.041  -4.416   3.653
  227    HG   LEU  11           HG       LEU  11   1.643  -1.976   2.033
  228   1HD1  LEU  11          HD13      LEU  11   2.665  -4.844   1.669
  229   2HD1  LEU  11          HD12      LEU  11   2.856  -3.579   0.475
  230   3HD1  LEU  11          HD11      LEU  11   3.649  -3.424   2.018
  231   1HD2  LEU  11          HD22      LEU  11   0.318  -4.708   1.397
  232   2HD2  LEU  11          HD21      LEU  11  -0.587  -3.233   1.611
  233   3HD2  LEU  11          HD23      LEU  11   0.479  -3.402   0.244
  234    H    VAL  12           HN       VAL  12  -1.047  -4.591   4.296
  235    HA   VAL  12           HA       VAL  12  -3.089  -3.590   2.569
  236    HB   VAL  12           HB       VAL  12  -4.666  -5.341   3.630
  237   1HG1  VAL  12          HG13      VAL  12  -1.821  -6.376   3.302
  238   2HG1  VAL  12          HG12      VAL  12  -3.269  -7.365   3.235
  239   3HG1  VAL  12          HG11      VAL  12  -2.990  -6.133   2.019
  240   1HG2  VAL  12          HG23      VAL  12  -2.417  -5.745   5.567
  241   2HG2  VAL  12          HG22      VAL  12  -3.979  -5.102   6.008
  242   3HG2  VAL  12          HG21      VAL  12  -3.841  -6.762   5.496
  243    H    GLU  13           HN       GLU  13  -2.925  -3.454   6.110
  244    HA   GLU  13           HA       GLU  13  -5.269  -2.102   6.771
  245   1HB   GLU  13           HB2      GLU  13  -2.434  -1.942   7.806
  246   2HB   GLU  13           HB1      GLU  13  -3.557  -0.740   8.401
  247   1HG   GLU  13           HG2      GLU  13  -3.992  -2.296  10.008
  248   2HG   GLU  13           HG1      GLU  13  -4.996  -3.053   8.788
  249    H    ALA  14           HN       ALA  14  -2.243  -0.539   6.149
  250    HA   ALA  14           HA       ALA  14  -2.915   2.079   5.973
  251   1HB   ALA  14           HB3      ALA  14  -0.615   1.196   5.576
  252   2HB   ALA  14           HB2      ALA  14  -1.147   0.570   4.021
  253   3HB   ALA  14           HB1      ALA  14  -1.095   2.304   4.268
  254    H    LEU  15           HN       LEU  15  -2.656   0.105   3.119
  255    HA   LEU  15           HA       LEU  15  -3.865   1.801   1.282
  256   1HB   LEU  15           HB2      LEU  15  -3.539  -1.145   1.621
  257   2HB   LEU  15           HB1      LEU  15  -4.450  -0.572   0.228
  258    HG   LEU  15           HG       LEU  15  -1.994   0.968   0.670
  259   1HD1  LEU  15          HD12      LEU  15  -1.788  -1.978   0.305
  260   2HD1  LEU  15          HD11      LEU  15  -0.464  -0.833   0.012
  261   3HD1  LEU  15          HD13      LEU  15  -1.149  -0.995   1.585
  262   1HD2  LEU  15          HD21      LEU  15  -3.104  -0.704  -1.637
  263   2HD2  LEU  15          HD23      LEU  15  -3.364   0.995  -1.414
  264   3HD2  LEU  15          HD22      LEU  15  -1.759   0.391  -1.776
  265    OH   TYR  16           OH       TYR  16 -10.662  -5.527   2.996
  266    H    TYR  16           HN       TYR  16  -5.381  -0.806   2.982
  267    HA   TYR  16           HA       TYR  16  -7.937  -0.711   2.350
  268   1HB   TYR  16           HB2      TYR  16  -6.427  -1.542   4.677
  269   2HB   TYR  16           HB1      TYR  16  -7.846  -0.733   5.283
  270    HD1  TYR  16           HD2      TYR  16 -10.028  -1.380   4.596
  271    HD2  TYR  16           HD1      TYR  16  -6.599  -3.564   3.435
  272    HE1  TYR  16           HE2      TYR  16 -11.438  -3.178   3.994
  273    HE2  TYR  16           HE1      TYR  16  -7.996  -5.442   2.804
  274    HH   TYR  16           HH       TYR  16 -11.515  -5.097   2.882
  275    H    LEU  17           HN       LEU  17  -6.741   1.233   4.789
  276    HA   LEU  17           HA       LEU  17  -9.232   2.805   4.939
  277   1HB   LEU  17           HB2      LEU  17  -6.626   3.637   6.216
  278   2HB   LEU  17           HB1      LEU  17  -8.251   3.905   6.861
  279    HG   LEU  17           HG       LEU  17  -6.717   1.513   6.434
  280   1HD1  LEU  17          HD12      LEU  17  -7.384   2.958   9.059
  281   2HD1  LEU  17          HD11      LEU  17  -6.592   1.391   9.042
  282   3HD1  LEU  17          HD13      LEU  17  -5.793   2.778   8.330
  283   1HD2  LEU  17          HD21      LEU  17  -9.406   1.863   7.940
  284   2HD2  LEU  17          HD23      LEU  17  -9.193   0.962   6.454
  285   3HD2  LEU  17          HD22      LEU  17  -8.545   0.334   7.953
  286    H    VAL  18           HN       VAL  18  -5.969   3.467   4.100
  287    HA   VAL  18           HA       VAL  18  -6.313   6.072   3.761
  288    HB   VAL  18           HB       VAL  18  -4.488   4.167   2.263
  289   1HG1  VAL  18          HG13      VAL  18  -4.440   7.240   2.177
  290   2HG1  VAL  18          HG12      VAL  18  -3.190   6.226   1.490
  291   3HG1  VAL  18          HG11      VAL  18  -4.794   6.218   0.806
  292   1HG2  VAL  18          HG22      VAL  18  -4.108   4.634   4.730
  293   2HG2  VAL  18          HG21      VAL  18  -2.767   5.218   3.765
  294   3HG2  VAL  18          HG23      VAL  18  -3.971   6.342   4.371
  295    H    CYS  19           HN       CYS  19  -6.725   3.590   1.619
  296    HA   CYS  19           HA       CYS  19  -8.488   4.963  -0.323
  297   1HB   CYS  19           HB2      CYS  19  -6.182   4.929  -1.067
  298   2HB   CYS  19           HB1      CYS  19  -6.209   3.176  -0.921
  299    H    GLY  20           HN       GLY  20  -7.872   1.968   1.183
  300   1HA   GLY  20           HA2      GLY  20  -8.848  -0.080  -0.279
  301   2HA   GLY  20           HA1      GLY  20  -9.367   0.030   1.376
  302    H    GLU  21           HN       GLU  21 -11.093   1.050   1.858
  303    HA   GLU  21           HA       GLU  21 -13.502   0.200   1.081
  304   1HB   GLU  21           HB2      GLU  21 -12.282   2.432   2.585
  305   2HB   GLU  21           HB1      GLU  21 -13.913   2.850   2.133
  306   1HG   GLU  21           HG2      GLU  21 -13.764   1.490   4.325
  307   2HG   GLU  21           HG1      GLU  21 -14.653   0.558   3.138
  308    NH1  ARG  22           NH1      ARG  22  -9.597   2.920  -5.525
  309    NH2  ARG  22           NH2      ARG  22  -8.684   4.806  -4.872
  310    H    ARG  22           HN       ARG  22 -12.733   0.192  -1.090
  311    HA   ARG  22           HA       ARG  22 -14.564   1.428  -2.995
  312   1HB   ARG  22           HB2      ARG  22 -11.521   1.591  -3.395
  313   2HB   ARG  22           HB1      ARG  22 -12.716   2.136  -4.568
  314   1HG   ARG  22           HG2      ARG  22 -13.465   3.801  -2.704
  315   2HG   ARG  22           HG1      ARG  22 -12.036   3.291  -1.840
  316   1HD   ARG  22           HD2      ARG  22 -11.971   4.560  -4.611
  317   2HD   ARG  22           HD1      ARG  22 -11.544   5.344  -3.095
  318    HE   ARG  22           HE       ARG  22  -9.773   3.417  -2.875
  319   1HH1  ARG  22          HH11      ARG  22 -10.250   2.222  -5.289
  320   2HH1  ARG  22          HH12      ARG  22  -9.046   2.916  -6.349
  321   1HH2  ARG  22          HH21      ARG  22  -8.647   5.502  -4.156
  322   2HH2  ARG  22          HH22      ARG  22  -8.064   4.960  -5.635
  323    H    GLY  23           HN       GLY  23 -11.594  -0.510  -2.737
  324   1HA   GLY  23           HA2      GLY  23 -12.674  -3.051  -3.544
  325   2HA   GLY  23           HA1      GLY  23 -11.755  -2.304  -4.867
  326    H    PHE  24           HN       PHE  24 -10.123  -4.245  -4.177
  327    HA   PHE  24           HA       PHE  24  -8.194  -2.890  -2.462
  328   1HB   PHE  24           HB2      PHE  24  -9.948  -3.880  -0.796
  329   2HB   PHE  24           HB1      PHE  24  -9.193  -5.455  -1.117
  330    HD1  PHE  24           HD1      PHE  24  -8.398  -1.921  -0.613
  331    HD2  PHE  24           HD2      PHE  24  -7.128  -5.904   0.037
  332    HE1  PHE  24           HE1      PHE  24  -6.442  -1.078   0.539
  333    HE2  PHE  24           HE2      PHE  24  -5.127  -5.077   1.219
  334    HZ   PHE  24           HZ       PHE  24  -4.819  -2.650   1.430
  335    OH   TYR  25           OH       TYR  25  -0.815  -2.680  -1.489
  336    H    TYR  25           HN       TYR  25  -7.181  -3.664  -4.675
  337    HA   TYR  25           HA       TYR  25  -6.104  -5.606  -5.835
  338   1HB   TYR  25           HB2      TYR  25  -4.164  -4.393  -6.219
  339   2HB   TYR  25           HB1      TYR  25  -5.291  -3.207  -5.631
  340    HD1  TYR  25           HD2      TYR  25  -5.158  -3.427  -2.659
  341    HD2  TYR  25           HD1      TYR  25  -2.075  -3.822  -5.568
  342    HE1  TYR  25           HE2      TYR  25  -3.418  -2.805  -0.941
  343    HE2  TYR  25           HE1      TYR  25  -0.394  -3.184  -3.792
  344    HH   TYR  25           HH       TYR  25  -0.765  -1.721  -1.564
  345    H    THR  26           HN       THR  26  -6.413  -7.159  -3.425
  346    HA   THR  26           HA       THR  26  -5.075  -8.522  -1.851
  347    HB   THR  26           HB       THR  26  -4.782 -10.667  -3.230
  348    HG1  THR  26           HG1      THR  26  -4.346  -8.879  -5.031
  349   1HG2  THR  26          HG22      THR  26  -7.159  -9.784  -2.549
  350   2HG2  THR  26          HG21      THR  26  -7.175  -8.964  -4.106
  351   3HG2  THR  26          HG23      THR  26  -7.092 -10.708  -4.047
  352    HA   PRO  27           HA       PRO  27  -0.733  -7.087  -3.053
  353   1HB   PRO  27           HB2      PRO  27  -0.101  -6.431  -0.375
  354   2HB   PRO  27           HB1      PRO  27  -0.695  -5.304  -1.593
  355   1HG   PRO  27           HG2      PRO  27  -2.302  -6.989   0.359
  356   2HG   PRO  27           HG1      PRO  27  -2.389  -5.224   0.117
  357   1HD   PRO  27           HD2      PRO  27  -4.225  -6.664  -1.159
  358   2HD   PRO  27           HD1      PRO  27  -3.276  -5.561  -2.174
  359    H    LYS  28           HN       LYS  28  -0.556  -9.442  -3.489
  360    HA   LYS  28           HA       LYS  28   0.975 -10.912  -1.550
  361   1HB   LYS  28           HB2      LYS  28  -1.005 -11.995  -1.942
  362   2HB   LYS  28           HB1      LYS  28  -0.956 -11.679  -3.652
  363   1HG   LYS  28           HG2      LYS  28   1.429 -13.247  -2.630
  364   2HG   LYS  28           HG1      LYS  28  -0.106 -14.067  -2.416
  365   1HD   LYS  28           HD2      LYS  28  -0.661 -13.977  -4.662
  366   2HD   LYS  28           HD1      LYS  28   0.384 -12.653  -5.035
  367   1HE   LYS  28           HE2      LYS  28   1.453 -15.430  -4.361
  368   2HE   LYS  28           HE1      LYS  28   1.186 -14.874  -6.015
  369   1HZ   LYS  28           HZ1      LYS  28   2.605 -12.846  -4.615
  370   2HZ   LYS  28           HZ3      LYS  28   3.435 -14.168  -4.310
  371   3HZ   LYS  28           HZ2      LYS  28   3.226 -13.637  -5.841
  372    H    THR  29           HN       THR  29   3.109 -10.267  -1.971
  373    HA   THR  29           HA       THR  29   4.326  -9.927  -4.465
  374    HB   THR  29           HB       THR  29   6.554 -10.551  -3.216
  375    HG1  THR  29           HG1      THR  29   5.092 -11.887  -1.869
  376   1HG2  THR  29          HG22      THR  29   4.749  -8.749  -1.588
  377   2HG2  THR  29          HG21      THR  29   6.500  -8.815  -1.546
  378   3HG2  THR  29          HG23      THR  29   5.698  -8.197  -2.982
   
  Start of MODEL           9
 Raw file had  378 H/Q atoms
  Start of MODEL    9
    1   1H    GLY   1           HT1      GLY   1   7.343  -7.776  -5.982
    2   2H    GLY   1           HT3      GLY   1   6.880  -9.210  -6.698
    3   3H    GLY   1           HT2      GLY   1   8.130  -8.271  -7.383
    4   1HA   GLY   1           HA1      GLY   1   6.683  -7.015  -8.522
    5   2HA   GLY   1           HA2      GLY   1   5.422  -8.124  -7.996
    6    H    ILE   2           HN       ILE   2   3.825  -6.748  -7.671
    7    HA   ILE   2           HA       ILE   2   3.636  -4.160  -6.867
    8    HB   ILE   2           HB       ILE   2   1.872  -5.742  -7.648
    9   1HG1  ILE   2          HG12      ILE   2   0.020  -4.948  -6.077
   10   2HG1  ILE   2          HG11      ILE   2   1.332  -4.236  -5.146
   11   1HG2  ILE   2          HG22      ILE   2   2.371  -7.669  -6.102
   12   2HG2  ILE   2          HG21      ILE   2   1.739  -6.735  -4.761
   13   3HG2  ILE   2          HG23      ILE   2   0.683  -7.208  -6.066
   14   1HD1  ILE   2           HD1      ILE   2   0.826  -3.607  -8.110
   15   2HD1  ILE   2           HD3      ILE   2   0.309  -2.580  -6.795
   16   3HD1  ILE   2           HD2      ILE   2   2.011  -2.815  -7.085
   17    H    VAL   3           HN       VAL   3   3.489  -6.679  -4.238
   18    HA   VAL   3           HA       VAL   3   3.624  -4.541  -2.247
   19    HB   VAL   3           HB       VAL   3   2.598  -6.790  -1.961
   20   1HG1  VAL   3          HG11      VAL   3   4.461  -8.058  -2.748
   21   2HG1  VAL   3          HG13      VAL   3   5.459  -7.593  -1.381
   22   3HG1  VAL   3          HG12      VAL   3   4.025  -8.576  -1.120
   23   1HG2  VAL   3          HG23      VAL   3   4.582  -5.757   0.081
   24   2HG2  VAL   3          HG22      VAL   3   2.938  -5.188  -0.114
   25   3HG2  VAL   3          HG21      VAL   3   3.237  -6.828   0.448
   26    H    GLU   4           HN       GLU   4   6.074  -6.727  -3.670
   27    HA   GLU   4           HA       GLU   4   8.269  -6.340  -2.076
   28   1HB   GLU   4           HB2      GLU   4   9.538  -7.165  -3.807
   29   2HB   GLU   4           HB1      GLU   4   7.979  -7.562  -4.420
   30   1HG   GLU   4           HG2      GLU   4   8.301  -5.139  -5.760
   31   2HG   GLU   4           HG1      GLU   4   9.956  -5.370  -5.301
   32    H    GLN   5           HN       GLN   5   6.901  -4.437  -4.615
   33    HA   GLN   5           HA       GLN   5   8.463  -2.082  -4.645
   34   1HB   GLN   5           HB2      GLN   5   6.767  -2.990  -6.384
   35   2HB   GLN   5           HB1      GLN   5   5.511  -2.333  -5.363
   36   1HG   GLN   5           HG2      GLN   5   7.746  -0.538  -6.372
   37   2HG   GLN   5           HG1      GLN   5   6.231  -0.754  -7.227
   38   1HE2  GLN   5          HE22      GLN   5   6.182   1.327  -3.792
   39   2HE2  GLN   5          HE21      GLN   5   7.530   0.348  -4.092
   40    H    CYS   6           HN       CYS   6   5.241  -2.542  -3.040
   41    HA   CYS   6           HA       CYS   6   5.769  -0.091  -1.377
   42   1HB   CYS   6           HB2      CYS   6   3.498  -1.686  -1.836
   43   2HB   CYS   6           HB1      CYS   6   3.890  -1.901  -0.165
   44    H    CYS   7           HN       CYS   7   7.381  -2.959  -0.896
   45    HA   CYS   7           HA       CYS   7   7.684  -2.094   1.860
   46   1HB   CYS   7           HB2      CYS   7   7.763  -4.270   2.654
   47   2HB   CYS   7           HB1      CYS   7   6.579  -4.313   1.388
   48    H    THR   8           HN       THR   8   9.596  -3.145  -0.880
   49    HA   THR   8           HA       THR   8  12.142  -3.571  -0.113
   50    HB   THR   8           HB       THR   8  11.801  -3.239  -2.529
   51    HG1  THR   8           HG1      THR   8  13.814  -2.081  -1.141
   52   1HG2  THR   8          HG23      THR   8  10.285  -1.118  -2.341
   53   2HG2  THR   8          HG22      THR   8  11.746  -0.166  -2.061
   54   3HG2  THR   8          HG21      THR   8  11.571  -1.021  -3.526
   55    H    SER   9           HN       SER   9  11.307  -0.273  -0.489
   56    HA   SER   9           HA       SER   9  13.190   0.638   1.480
   57   1HB   SER   9           HB2      SER   9  12.820   1.884  -1.340
   58   2HB   SER   9           HB1      SER   9  13.951   2.464  -0.107
   59    HG   SER   9           HG1      SER   9  13.970  -0.166  -1.302
   60    H    ILE  10           HN       ILE  10  11.267   2.705  -0.635
   61    HA   ILE  10           HA       ILE  10   9.336   3.244   1.406
   62    HB   ILE  10           HB       ILE  10  11.184   4.930   0.095
   63   1HG1  ILE  10          HG12      ILE  10  10.876   6.355   2.198
   64   2HG1  ILE  10          HG11      ILE  10   9.576   5.248   2.602
   65   1HG2  ILE  10          HG22      ILE  10   8.357   5.979   0.546
   66   2HG2  ILE  10          HG21      ILE  10   9.734   7.022   0.195
   67   3HG2  ILE  10          HG23      ILE  10   9.162   5.879  -1.009
   68   1HD1  ILE  10           HD2      ILE  10  12.288   4.089   2.000
   69   2HD1  ILE  10           HD1      ILE  10  11.848   4.624   3.632
   70   3HD1  ILE  10           HD3      ILE  10  10.864   3.473   2.832
   71    H    CYS  11           HN       CYS  11   7.254   3.685   0.782
   72    HA   CYS  11           HA       CYS  11   6.586   3.286  -2.130
   73   1HB   CYS  11           HB2      CYS  11   5.717   1.638  -0.310
   74   2HB   CYS  11           HB1      CYS  11   4.743   2.916   0.300
   75    H    SER  12           HN       SER  12   3.770   4.274  -1.310
   76    HA   SER  12           HA       SER  12   4.185   7.075  -0.786
   77   1HB   SER  12           HB2      SER  12   4.988   7.386  -2.912
   78   2HB   SER  12           HB1      SER  12   4.010   6.131  -3.636
   79    HG   SER  12           HG1      SER  12   2.725   7.738  -4.102
   80    H    LEU  13           HN       LEU  13   2.532   7.979  -0.063
   81    HA   LEU  13           HA       LEU  13   0.098   6.945   0.719
   82   1HB   LEU  13           HB2      LEU  13   0.986   9.111   1.471
   83   2HB   LEU  13           HB1      LEU  13   0.799   9.807  -0.128
   84    HG   LEU  13           HG       LEU  13  -1.689   9.557   0.100
   85   1HD1  LEU  13          HD12      LEU  13  -1.636   7.686   1.811
   86   2HD1  LEU  13          HD11      LEU  13  -0.951   8.801   2.979
   87   3HD1  LEU  13          HD13      LEU  13  -2.575   9.050   2.370
   88   1HD2  LEU  13          HD21      LEU  13  -0.305  11.061   2.364
   89   2HD2  LEU  13          HD23      LEU  13  -0.539  11.673   0.735
   90   3HD2  LEU  13          HD22      LEU  13  -1.918  11.370   1.764
   91    OH   TYR  14           OH       TYR  14   3.070  12.912  -1.529
   92    H    TYR  14           HN       TYR  14   0.746   8.725  -2.140
   93    HA   TYR  14           HA       TYR  14  -1.777   8.484  -3.537
   94   1HB   TYR  14           HB2      TYR  14   0.730   8.656  -5.216
   95   2HB   TYR  14           HB1      TYR  14  -0.653   9.726  -5.214
   96    HD1  TYR  14           HD1      TYR  14  -0.836  10.860  -2.573
   97    HD2  TYR  14           HD2      TYR  14   2.636   9.825  -4.776
   98    HE1  TYR  14           HE1      TYR  14   0.502  12.472  -1.248
   99    HE2  TYR  14           HE2      TYR  14   3.961  11.429  -3.464
  100    HH   TYR  14           HH       TYR  14   2.720  13.778  -1.796
  101    H    GLN  15           HN       GLN  15   1.213   6.643  -3.489
  102    HA   GLN  15           HA       GLN  15   0.727   4.613  -5.407
  103   1HB   GLN  15           HB2      GLN  15   2.598   4.821  -3.345
  104   2HB   GLN  15           HB1      GLN  15   1.683   3.448  -2.809
  105   1HG   GLN  15           HG2      GLN  15   3.112   2.307  -4.262
  106   2HG   GLN  15           HG1      GLN  15   1.968   2.800  -5.495
  107   1HE2  GLN  15          HE22      GLN  15   5.531   4.000  -5.986
  108   2HE2  GLN  15          HE21      GLN  15   4.986   2.534  -5.300
  109    H    LEU  16           HN       LEU  16   0.096   4.247  -1.927
  110    HA   LEU  16           HA       LEU  16  -1.618   2.143  -1.761
  111   1HB   LEU  16           HB2      LEU  16  -1.789   4.823  -0.317
  112   2HB   LEU  16           HB1      LEU  16  -2.832   3.500   0.097
  113    HG   LEU  16           HG       LEU  16  -0.684   2.127   0.432
  114   1HD1  LEU  16          HD12      LEU  16   0.534   4.866   0.437
  115   2HD1  LEU  16          HD11      LEU  16   1.296   3.417   1.065
  116   3HD1  LEU  16          HD13      LEU  16   0.951   3.530  -0.632
  117   1HD2  LEU  16          HD23      LEU  16  -1.242   4.616   2.132
  118   2HD2  LEU  16          HD22      LEU  16  -2.127   3.113   2.280
  119   3HD2  LEU  16          HD21      LEU  16  -0.428   3.177   2.722
  120    H    GLU  17           HN       GLU  17  -2.756   5.420  -2.204
  121    HA   GLU  17           HA       GLU  17  -5.433   5.093  -2.677
  122   1HB   GLU  17           HB2      GLU  17  -3.719   7.150  -2.713
  123   2HB   GLU  17           HB1      GLU  17  -3.793   6.922  -4.448
  124   1HG   GLU  17           HG2      GLU  17  -6.207   7.365  -2.680
  125   2HG   GLU  17           HG1      GLU  17  -5.432   8.585  -3.664
  126    H    ASN  18           HN       ASN  18  -3.201   5.241  -5.265
  127    HA   ASN  18           HA       ASN  18  -4.826   4.334  -7.443
  128   1HB   ASN  18           HB2      ASN  18  -1.820   4.378  -7.012
  129   2HB   ASN  18           HB1      ASN  18  -2.530   4.129  -8.584
  130   1HD2  ASN  18          HD22      ASN  18  -3.602   7.795  -7.525
  131   2HD2  ASN  18          HD21      ASN  18  -4.427   6.494  -6.838
  132    OH   TYR  19           OH       TYR  19   1.947  -3.067  -2.966
  133    H    TYR  19           HN       TYR  19  -2.681   2.784  -5.492
  134    HA   TYR  19           HA       TYR  19  -2.490   0.137  -6.587
  135   1HB   TYR  19           HB2      TYR  19  -0.821   1.606  -5.491
  136   2HB   TYR  19           HB1      TYR  19  -1.757   1.488  -4.010
  137    HD1  TYR  19           HD2      TYR  19  -1.697  -1.778  -5.200
  138    HD2  TYR  19           HD1      TYR  19   0.771   1.255  -3.520
  139    HE1  TYR  19           HE2      TYR  19  -0.220  -3.442  -4.318
  140    HE2  TYR  19           HE1      TYR  19   2.251  -0.411  -2.662
  141    HH   TYR  19           HH       TYR  19   2.802  -2.922  -3.394
  142    H    CYS  20           HN       CYS  20  -4.652   1.485  -4.247
  143    HA   CYS  20           HA       CYS  20  -5.410  -1.125  -3.127
  144   1HB   CYS  20           HB2      CYS  20  -5.699   0.414  -1.553
  145   2HB   CYS  20           HB1      CYS  20  -5.856   1.728  -2.673
  146    H    ASN  21           HN       ASN  21  -7.872   1.063  -4.498
  147    HA   ASN  21           HA       ASN  21  -9.923  -0.297  -5.043
  148   1HB   ASN  21           HB2      ASN  21  -9.696   0.263  -7.707
  149   2HB   ASN  21           HB1      ASN  21  -9.971   1.554  -6.578
  150   1HD2  ASN  21          HD22      ASN  21  -6.142   0.978  -7.771
  151   2HD2  ASN  21          HD21      ASN  21  -7.128  -0.372  -7.415
  152   1H    PHE   1           HT1      PHE   1   4.570  10.075  -0.865
  153   2H    PHE   1           HT3      PHE   1   4.184  11.709  -0.846
  154   3H    PHE   1           HT2      PHE   1   5.801  11.247  -0.884
  155    HA   PHE   1           HA       PHE   1   5.849  11.265   1.380
  156   1HB   PHE   1           HB2      PHE   1   4.104  13.066   1.306
  157   2HB   PHE   1           HB1      PHE   1   2.847  11.887   1.008
  158    HD1  PHE   1           HD1      PHE   1   2.126  10.332   2.759
  159    HD2  PHE   1           HD2      PHE   1   4.980  13.397   3.583
  160    HE1  PHE   1           HE1      PHE   1   1.776  10.009   5.156
  161    HE2  PHE   1           HE2      PHE   1   4.615  13.060   5.985
  162    HZ   PHE   1           HZ       PHE   1   3.023  11.375   6.772
  163    H    VAL   2           HN       VAL   2   5.356   9.829   3.314
  164    HA   VAL   2           HA       VAL   2   3.664   7.865   3.917
  165    HB   VAL   2           HB       VAL   2   3.797   6.853   1.551
  166   1HG1  VAL   2          HG11      VAL   2   6.659   6.104   2.393
  167   2HG1  VAL   2          HG13      VAL   2   5.822   5.559   0.999
  168   3HG1  VAL   2          HG12      VAL   2   6.285   7.239   1.095
  169   1HG2  VAL   2          HG23      VAL   2   3.168   5.454   3.458
  170   2HG2  VAL   2          HG22      VAL   2   4.087   4.548   2.272
  171   3HG2  VAL   2          HG21      VAL   2   4.852   5.065   3.756
  172    H    ASN   3           HN       ASN   3   6.986   8.199   3.117
  173    HA   ASN   3           HA       ASN   3   8.935   8.106   4.329
  174   1HB   ASN   3           HB2      ASN   3   7.705   9.247   6.077
  175   2HB   ASN   3           HB1      ASN   3   7.116   7.695   6.690
  176   1HD2  ASN   3          HD22      ASN   3  10.799   8.751   7.716
  177   2HD2  ASN   3          HD21      ASN   3  10.028   9.720   6.544
  178    H    GLN   4           HN       GLN   4   6.745   5.458   5.196
  179    HA   GLN   4           HA       GLN   4   9.062   3.640   5.289
  180   1HB   GLN   4           HB2      GLN   4   6.519   4.011   6.909
  181   2HB   GLN   4           HB1      GLN   4   7.101   2.367   6.782
  182   1HG   GLN   4           HG2      GLN   4   9.118   2.852   7.905
  183   2HG   GLN   4           HG1      GLN   4   9.115   4.552   7.466
  184   1HE2  GLN   4          HE22      GLN   4   7.675   5.433  10.451
  185   2HE2  GLN   4          HE21      GLN   4   8.535   5.899   9.047
  186    H    HIS   5           HN       HIS   5   8.093   1.549   5.384
  187    HA   HIS   5           HA       HIS   5   6.646   0.918   3.031
  188   1HB   HIS   5           HB2      HIS   5   9.473   0.695   3.415
  189   2HB   HIS   5           HB1      HIS   5   8.868  -0.918   3.130
  190    HD1  HIS   5           HD1      HIS   5  10.266  -0.436   0.990
  191    HD2  HIS   5           HD2      HIS   5   6.809   1.501   1.300
  192    HE1  HIS   5           HE1      HIS   5   9.622   0.395  -1.426
  193    H    LEU   6           HN       LEU   6   5.849  -1.231   2.643
  194    HA   LEU   6           HA       LEU   6   6.138  -3.159   4.782
  195   1HB   LEU   6           HB2      LEU   6   4.036  -1.180   5.024
  196   2HB   LEU   6           HB1      LEU   6   3.381  -2.808   5.082
  197    HG   LEU   6           HG       LEU   6   5.695  -2.041   6.785
  198   1HD1  LEU   6          HD13      LEU   6   2.706  -2.067   7.257
  199   2HD1  LEU   6          HD12      LEU   6   3.947  -1.795   8.488
  200   3HD1  LEU   6          HD11      LEU   6   3.721  -0.636   7.191
  201   1HD2  LEU   6          HD23      LEU   6   3.616  -4.277   6.747
  202   2HD2  LEU   6          HD22      LEU   6   5.286  -4.475   6.250
  203   3HD2  LEU   6          HD21      LEU   6   4.920  -4.104   7.919
  204    H    CYS   7           HN       CYS   7   6.037  -5.142   4.238
  205    HA   CYS   7           HA       CYS   7   4.223  -5.991   2.174
  206   1HB   CYS   7           HB2      CYS   7   6.934  -6.903   3.126
  207   2HB   CYS   7           HB1      CYS   7   5.892  -8.171   2.558
  208    H    GLY   8           HN       GLY   8   3.212  -5.427   4.640
  209   1HA   GLY   8           HA2      GLY   8   1.981  -8.009   5.484
  210   2HA   GLY   8           HA1      GLY   8   2.852  -7.157   6.736
  211    H    SER   9           HN       SER   9   0.481  -7.733   7.444
  212    HA   SER   9           HA       SER   9  -1.882  -6.523   6.904
  213   1HB   SER   9           HB2      SER   9  -0.666  -6.487   9.712
  214   2HB   SER   9           HB1      SER   9  -2.391  -6.465   9.290
  215    HG   SER   9           HG1      SER   9  -2.265  -8.516   8.808
  216    H    HIS  10           HN       HIS  10   0.157  -4.644   9.178
  217    HA   HIS  10           HA       HIS  10  -1.128  -2.267   9.178
  218   1HB   HIS  10           HB2      HIS  10   1.561  -1.416   8.943
  219   2HB   HIS  10           HB1      HIS  10   0.766  -1.912  10.413
  220    HD1  HIS  10           HD1      HIS  10   3.064  -2.670  11.208
  221    HD2  HIS  10           HD2      HIS  10   1.751  -4.854   8.055
  222    HE1  HIS  10           HE1      HIS  10   4.496  -4.714  11.119
  223    H    LEU  11           HN       LEU  11   0.711  -3.269   6.333
  224    HA   LEU  11           HA       LEU  11   0.174  -0.667   4.993
  225   1HB   LEU  11           HB2      LEU  11   2.183  -1.525   4.201
  226   2HB   LEU  11           HB1      LEU  11   1.631  -3.201   4.175
  227    HG   LEU  11           HG       LEU  11   2.052  -2.043   1.976
  228   1HD1  LEU  11          HD12      LEU  11   0.990  -4.068   1.954
  229   2HD1  LEU  11          HD11      LEU  11  -0.584  -3.362   2.183
  230   3HD1  LEU  11          HD13      LEU  11   0.335  -3.002   0.742
  231   1HD2  LEU  11          HD21      LEU  11   1.268   0.128   2.320
  232   2HD2  LEU  11          HD23      LEU  11   0.489  -0.617   0.945
  233   3HD2  LEU  11          HD22      LEU  11  -0.388  -0.418   2.442
  234    H    VAL  12           HN       VAL  12  -0.686  -4.073   4.729
  235    HA   VAL  12           HA       VAL  12  -2.580  -3.931   2.655
  236    HB   VAL  12           HB       VAL  12  -2.875  -5.274   5.219
  237   1HG1  VAL  12          HG12      VAL  12  -4.266  -5.927   2.586
  238   2HG1  VAL  12          HG11      VAL  12  -4.370  -6.946   4.019
  239   3HG1  VAL  12          HG13      VAL  12  -5.036  -5.330   4.054
  240   1HG2  VAL  12          HG22      VAL  12  -1.745  -6.317   2.577
  241   2HG2  VAL  12          HG21      VAL  12  -0.810  -6.005   4.023
  242   3HG2  VAL  12          HG23      VAL  12  -1.951  -7.334   3.995
  243    H    GLU  13           HN       GLU  13  -3.023  -3.339   5.949
  244    HA   GLU  13           HA       GLU  13  -5.606  -2.278   6.260
  245   1HB   GLU  13           HB2      GLU  13  -3.157  -2.647   7.801
  246   2HB   GLU  13           HB1      GLU  13  -3.801  -1.072   8.162
  247   1HG   GLU  13           HG2      GLU  13  -4.845  -2.576   9.745
  248   2HG   GLU  13           HG1      GLU  13  -6.075  -2.311   8.533
  249    H    ALA  14           HN       ALA  14  -2.492  -0.673   5.903
  250    HA   ALA  14           HA       ALA  14  -3.305   2.027   5.784
  251   1HB   ALA  14           HB1      ALA  14  -0.992   1.207   5.805
  252   2HB   ALA  14           HB3      ALA  14  -1.182   0.701   4.119
  253   3HB   ALA  14           HB2      ALA  14  -1.286   2.408   4.528
  254    H    LEU  15           HN       LEU  15  -2.664   0.128   2.674
  255    HA   LEU  15           HA       LEU  15  -4.083   2.141   1.220
  256   1HB   LEU  15           HB2      LEU  15  -4.674  -0.572   0.123
  257   2HB   LEU  15           HB1      LEU  15  -4.007   0.842  -0.643
  258    HG   LEU  15           HG       LEU  15  -1.835   0.362   0.620
  259   1HD1  LEU  15          HD11      LEU  15  -3.202  -1.331   2.085
  260   2HD1  LEU  15          HD13      LEU  15  -3.349  -2.308   0.707
  261   3HD1  LEU  15          HD12      LEU  15  -1.769  -1.994   1.389
  262   1HD2  LEU  15          HD21      LEU  15  -3.027  -1.522  -1.462
  263   2HD2  LEU  15          HD23      LEU  15  -2.298   0.013  -1.824
  264   3HD2  LEU  15          HD22      LEU  15  -1.302  -1.284  -1.191
  265    OH   TYR  16           OH       TYR  16  -9.329  -4.287   8.017
  266    H    TYR  16           HN       TYR  16  -5.302  -0.793   2.620
  267    HA   TYR  16           HA       TYR  16  -8.006  -0.877   2.217
  268   1HB   TYR  16           HB2      TYR  16  -6.735  -2.456   3.069
  269   2HB   TYR  16           HB1      TYR  16  -6.040  -1.412   4.237
  270    HD1  TYR  16           HD1      TYR  16  -8.105  -0.475   5.925
  271    HD2  TYR  16           HD2      TYR  16  -7.394  -4.191   4.008
  272    HE1  TYR  16           HE1      TYR  16  -9.118  -1.634   7.774
  273    HE2  TYR  16           HE2      TYR  16  -8.380  -5.359   5.826
  274    HH   TYR  16           HH       TYR  16  -8.451  -4.564   8.347
  275    H    LEU  17           HN       LEU  17  -6.402   1.435   4.271
  276    HA   LEU  17           HA       LEU  17  -9.049   2.583   5.008
  277   1HB   LEU  17           HB2      LEU  17  -7.981   3.582   6.924
  278   2HB   LEU  17           HB1      LEU  17  -7.762   1.824   6.838
  279    HG   LEU  17           HG       LEU  17  -5.717   2.445   5.613
  280   1HD1  LEU  17          HD11      LEU  17  -5.941   4.979   5.760
  281   2HD1  LEU  17          HD13      LEU  17  -6.034   4.848   7.497
  282   3HD1  LEU  17          HD12      LEU  17  -4.531   4.486   6.676
  283   1HD2  LEU  17          HD21      LEU  17  -5.959   2.628   8.655
  284   2HD2  LEU  17          HD23      LEU  17  -5.743   1.161   7.716
  285   3HD2  LEU  17          HD22      LEU  17  -4.433   2.315   7.851
  286    H    VAL  18           HN       VAL  18  -5.961   3.536   3.747
  287    HA   VAL  18           HA       VAL  18  -6.532   6.368   3.488
  288    HB   VAL  18           HB       VAL  18  -4.632   4.513   1.942
  289   1HG1  VAL  18          HG12      VAL  18  -5.097   6.640   0.654
  290   2HG1  VAL  18          HG11      VAL  18  -4.656   7.575   2.067
  291   3HG1  VAL  18          HG13      VAL  18  -3.451   6.602   1.243
  292   1HG2  VAL  18          HG21      VAL  18  -4.123   6.484   4.220
  293   2HG2  VAL  18          HG23      VAL  18  -4.098   4.736   4.362
  294   3HG2  VAL  18          HG22      VAL  18  -2.885   5.552   3.401
  295    H    CYS  19           HN       CYS  19  -7.023   3.589   1.612
  296    HA   CYS  19           HA       CYS  19  -8.872   4.928  -0.279
  297   1HB   CYS  19           HB2      CYS  19  -7.010   4.698  -1.528
  298   2HB   CYS  19           HB1      CYS  19  -6.535   3.178  -0.805
  299    H    GLY  20           HN       GLY  20  -8.246   1.788   1.127
  300   1HA   GLY  20           HA2      GLY  20  -9.712  -0.205   0.186
  301   2HA   GLY  20           HA1      GLY  20 -10.121   0.217   1.823
  302    H    GLU  21           HN       GLU  21 -11.393   2.208   1.783
  303    HA   GLU  21           HA       GLU  21 -14.033   1.958   1.624
  304   1HB   GLU  21           HB2      GLU  21 -12.759   3.831   2.444
  305   2HB   GLU  21           HB1      GLU  21 -12.249   4.333   0.867
  306   1HG   GLU  21           HG2      GLU  21 -14.164   5.796   1.276
  307   2HG   GLU  21           HG1      GLU  21 -15.028   4.463   0.535
  308    NH1  ARG  22           NH1      ARG  22  -8.973   5.056  -3.813
  309    NH2  ARG  22           NH2      ARG  22  -8.156   4.828  -5.825
  310    H    ARG  22           HN       ARG  22 -12.153   2.575  -1.262
  311    HA   ARG  22           HA       ARG  22 -14.607   2.251  -2.955
  312   1HB   ARG  22           HB2      ARG  22 -13.255   3.275  -4.790
  313   2HB   ARG  22           HB1      ARG  22 -13.483   4.275  -3.388
  314   1HG   ARG  22           HG2      ARG  22 -11.273   4.682  -4.174
  315   2HG   ARG  22           HG1      ARG  22 -11.131   3.800  -2.659
  316   1HD   ARG  22           HD2      ARG  22 -10.364   1.853  -3.680
  317   2HD   ARG  22           HD1      ARG  22 -11.178   2.189  -5.190
  318    HE   ARG  22           HE       ARG  22  -8.624   2.648  -5.437
  319   1HH1  ARG  22          HH11      ARG  22  -9.448   4.617  -3.069
  320   2HH1  ARG  22          HH12      ARG  22  -8.623   5.987  -3.783
  321   1HH2  ARG  22          HH21      ARG  22  -8.024   4.240  -6.611
  322   2HH2  ARG  22          HH22      ARG  22  -7.775   5.756  -5.794
  323    H    GLY  23           HN       GLY  23 -11.464   0.292  -2.743
  324   1HA   GLY  23           HA2      GLY  23 -12.784  -1.915  -4.001
  325   2HA   GLY  23           HA1      GLY  23 -11.711  -1.129  -5.161
  326    H    PHE  24           HN       PHE  24 -10.650  -3.622  -4.403
  327    HA   PHE  24           HA       PHE  24  -8.501  -2.622  -2.751
  328   1HB   PHE  24           HB2      PHE  24 -10.500  -3.191  -1.142
  329   2HB   PHE  24           HB1      PHE  24  -9.920  -4.867  -1.257
  330    HD1  PHE  24           HD2      PHE  24  -8.635  -1.369  -1.071
  331    HD2  PHE  24           HD1      PHE  24  -8.020  -5.419   0.099
  332    HE1  PHE  24           HE2      PHE  24  -6.725  -0.688   0.083
  333    HE2  PHE  24           HE1      PHE  24  -6.017  -4.720   1.312
  334    HZ   PHE  24           HZ       PHE  24  -5.370  -2.343   1.286
  335    OH   TYR  25           OH       TYR  25  -1.842  -3.857  -0.049
  336    H    TYR  25           HN       TYR  25  -7.355  -3.510  -4.549
  337    HA   TYR  25           HA       TYR  25  -6.340  -5.413  -5.747
  338   1HB   TYR  25           HB2      TYR  25  -4.203  -4.464  -5.631
  339   2HB   TYR  25           HB1      TYR  25  -5.254  -3.182  -5.104
  340    HD1  TYR  25           HD1      TYR  25  -5.787  -3.945  -2.217
  341    HD2  TYR  25           HD2      TYR  25  -2.221  -4.114  -4.515
  342    HE1  TYR  25           HE1      TYR  25  -4.389  -3.824  -0.150
  343    HE2  TYR  25           HE2      TYR  25  -0.890  -3.963  -2.366
  344    HH   TYR  25           HH       TYR  25  -1.418  -2.992  -0.069
  345    H    THR  26           HN       THR  26  -6.090  -6.102  -2.355
  346    HA   THR  26           HA       THR  26  -4.939  -7.922  -1.204
  347    HB   THR  26           HB       THR  26  -6.900  -9.101  -1.529
  348    HG1  THR  26           HG1      THR  26  -5.297 -10.426  -3.294
  349   1HG2  THR  26          HG23      THR  26  -6.112  -9.251  -4.460
  350   2HG2  THR  26          HG22      THR  26  -7.588  -9.910  -3.724
  351   3HG2  THR  26          HG21      THR  26  -7.323  -8.172  -3.792
  352    HA   PRO  27           HA       PRO  27  -1.478  -8.101  -4.183
  353   1HB   PRO  27           HB2      PRO  27   0.475  -7.009  -2.699
  354   2HB   PRO  27           HB1      PRO  27  -0.911  -6.056  -3.233
  355   1HG   PRO  27           HG2      PRO  27  -0.647  -7.590  -0.552
  356   2HG   PRO  27           HG1      PRO  27  -0.944  -5.858  -0.739
  357   1HD   PRO  27           HD2      PRO  27  -2.952  -7.612  -0.378
  358   2HD   PRO  27           HD1      PRO  27  -3.184  -6.229  -1.467
  359    H    LYS  28           HN       LYS  28   0.837  -8.925  -4.136
  360    HA   LYS  28           HA       LYS  28   1.484 -11.065  -2.433
  361   1HB   LYS  28           HB2      LYS  28   0.913 -11.283  -5.464
  362   2HB   LYS  28           HB1      LYS  28   1.795 -12.526  -4.619
  363   1HG   LYS  28           HG2      LYS  28  -0.309 -13.503  -4.442
  364   2HG   LYS  28           HG1      LYS  28  -0.404 -12.507  -3.008
  365   1HD   LYS  28           HD2      LYS  28  -1.552 -10.677  -4.578
  366   2HD   LYS  28           HD1      LYS  28  -1.577 -11.913  -5.777
  367   1HE   LYS  28           HE2      LYS  28  -3.749 -11.815  -4.744
  368   2HE   LYS  28           HE1      LYS  28  -2.999 -13.347  -4.316
  369   1HZ   LYS  28           HZ1      LYS  28  -2.253 -11.363  -2.419
  370   2HZ   LYS  28           HZ3      LYS  28  -3.902 -11.296  -2.566
  371   3HZ   LYS  28           HZ2      LYS  28  -3.171 -12.741  -2.095
  372    H    THR  29           HN       THR  29   3.823 -11.644  -3.327
  373    HA   THR  29           HA       THR  29   5.577  -9.552  -3.021
  374    HB   THR  29           HB       THR  29   7.306 -10.719  -4.375
  375    HG1  THR  29           HG1      THR  29   5.321 -11.580  -5.519
  376   1HG2  THR  29          HG21      THR  29   5.675 -12.450  -2.484
  377   2HG2  THR  29          HG23      THR  29   7.369 -12.671  -2.915
  378   3HG2  THR  29          HG22      THR  29   6.880 -11.267  -1.972
   
  Start of MODEL          10
 Raw file had  378 H/Q atoms
  Start of MODEL   10
    1   1H    GLY   1           HT2      GLY   1   4.682  -6.431  -7.897
    2   2H    GLY   1           HT1      GLY   1   4.865  -6.377  -9.603
    3   3H    GLY   1           HT3      GLY   1   5.944  -7.196  -8.616
    4   1HA   GLY   1           HA1      GLY   1   7.225  -5.418  -8.236
    5   2HA   GLY   1           HA2      GLY   1   6.274  -4.544  -9.412
    6    H    ILE   2           HN       ILE   2   4.095  -3.639  -8.358
    7    HA   ILE   2           HA       ILE   2   4.694  -1.668  -6.496
    8    HB   ILE   2           HB       ILE   2   2.644  -2.092  -8.045
    9   1HG1  ILE   2          HG12      ILE   2   2.707  -0.014  -6.965
   10   2HG1  ILE   2          HG11      ILE   2   1.131  -0.671  -6.612
   11   1HG2  ILE   2          HG21      ILE   2   1.817  -4.211  -6.985
   12   2HG2  ILE   2          HG23      ILE   2   1.513  -3.314  -5.502
   13   3HG2  ILE   2          HG22      ILE   2   0.625  -2.929  -6.951
   14   1HD1  ILE   2           HD2      ILE   2   1.985  -1.369  -4.326
   15   2HD1  ILE   2           HD1      ILE   2   3.510  -0.584  -4.681
   16   3HD1  ILE   2           HD3      ILE   2   2.058   0.361  -4.579
   17    H    VAL   3           HN       VAL   3   3.131  -4.771  -5.438
   18    HA   VAL   3           HA       VAL   3   3.261  -3.931  -2.709
   19    HB   VAL   3           HB       VAL   3   1.773  -5.835  -3.452
   20   1HG1  VAL   3          HG11      VAL   3   4.294  -7.464  -3.992
   21   2HG1  VAL   3          HG13      VAL   3   2.667  -8.061  -4.034
   22   3HG1  VAL   3          HG12      VAL   3   3.185  -6.872  -5.197
   23   1HG2  VAL   3          HG22      VAL   3   3.922  -6.739  -1.483
   24   2HG2  VAL   3          HG21      VAL   3   2.464  -5.874  -1.087
   25   3HG2  VAL   3          HG23      VAL   3   2.373  -7.522  -1.675
   26    H    GLU   4           HN       GLU   4   5.545  -6.227  -4.265
   27    HA   GLU   4           HA       GLU   4   7.363  -6.473  -2.242
   28   1HB   GLU   4           HB2      GLU   4   8.285  -5.745  -5.053
   29   2HB   GLU   4           HB1      GLU   4   9.011  -6.884  -3.946
   30   1HG   GLU   4           HG2      GLU   4   7.918  -8.485  -5.222
   31   2HG   GLU   4           HG1      GLU   4   6.525  -8.085  -4.273
   32    H    GLN   5           HN       GLN   5   7.014  -3.818  -4.461
   33    HA   GLN   5           HA       GLN   5   8.982  -1.926  -3.800
   34   1HB   GLN   5           HB2      GLN   5   7.829  -2.182  -5.810
   35   2HB   GLN   5           HB1      GLN   5   6.331  -1.687  -5.118
   36   1HG   GLN   5           HG2      GLN   5   8.837   0.088  -5.156
   37   2HG   GLN   5           HG1      GLN   5   7.549   0.202  -6.342
   38   1HE2  GLN   5          HE22      GLN   5   5.768   0.842  -2.947
   39   2HE2  GLN   5          HE21      GLN   5   6.049  -0.679  -3.613
   40    H    CYS   6           HN       CYS   6   5.728  -2.062  -2.453
   41    HA   CYS   6           HA       CYS   6   6.497  -0.013  -0.448
   42   1HB   CYS   6           HB2      CYS   6   4.050  -1.805  -0.793
   43   2HB   CYS   6           HB1      CYS   6   4.176  -0.574   0.442
   44    H    CYS   7           HN       CYS   7   5.861  -3.465  -0.200
   45    HA   CYS   7           HA       CYS   7   6.353  -3.776   2.506
   46   1HB   CYS   7           HB2      CYS   7   5.497  -5.490   1.165
   47   2HB   CYS   7           HB1      CYS   7   6.901  -5.526   0.134
   48    H    THR   8           HN       THR   8   8.923  -4.082   0.022
   49    HA   THR   8           HA       THR   8  10.894  -3.293   2.170
   50    HB   THR   8           HB       THR   8  11.606  -5.405   0.095
   51    HG1  THR   8           HG1      THR   8   9.973  -5.508   2.274
   52   1HG2  THR   8          HG23      THR   8  12.474  -4.838   2.996
   53   2HG2  THR   8          HG22      THR   8  13.196  -6.016   1.919
   54   3HG2  THR   8          HG21      THR   8  13.452  -4.304   1.645
   55    H    SER   9           HN       SER   9   9.941  -1.792  -0.530
   56    HA   SER   9           HA       SER   9  12.662  -1.321  -1.437
   57   1HB   SER   9           HB2      SER   9  10.180  -0.442  -2.933
   58   2HB   SER   9           HB1      SER   9  11.841  -0.422  -3.502
   59    HG   SER   9           HG1      SER   9  11.245  -2.874  -2.451
   60    H    ILE  10           HN       ILE  10   9.894   0.523  -0.797
   61    HA   ILE  10           HA       ILE  10   9.879   2.524   0.797
   62    HB   ILE  10           HB       ILE  10  11.884   2.766  -1.055
   63   1HG1  ILE  10          HG12      ILE  10  12.966   4.061   0.998
   64   2HG1  ILE  10          HG11      ILE  10  11.335   4.144   1.656
   65   1HG2  ILE  10          HG22      ILE  10  10.895   4.666  -1.962
   66   2HG2  ILE  10          HG21      ILE  10  10.650   5.347  -0.346
   67   3HG2  ILE  10          HG23      ILE  10  12.267   5.173  -0.982
   68   1HD1  ILE  10           HD3      ILE  10  12.807   1.532   1.174
   69   2HD1  ILE  10           HD2      ILE  10  12.626   2.309   2.731
   70   3HD1  ILE  10           HD1      ILE  10  11.225   1.753   1.883
   71    H    CYS  11           HN       CYS  11   7.882   2.923   0.685
   72    HA   CYS  11           HA       CYS  11   6.795   4.408  -1.660
   73   1HB   CYS  11           HB2      CYS  11   5.851   2.619  -2.378
   74   2HB   CYS  11           HB1      CYS  11   6.446   1.714  -1.075
   75    H    SER  12           HN       SER  12   4.341   5.075  -1.260
   76    HA   SER  12           HA       SER  12   3.717   5.760   1.489
   77   1HB   SER  12           HB2      SER  12   4.885   7.751   1.348
   78   2HB   SER  12           HB1      SER  12   5.155   7.580  -0.372
   79    HG   SER  12           HG1      SER  12   3.339   8.653  -0.812
   80    H    LEU  13           HN       LEU  13   1.988   7.640   0.978
   81    HA   LEU  13           HA       LEU  13  -0.422   6.317   0.463
   82   1HB   LEU  13           HB2      LEU  13  -1.528   8.488   0.540
   83   2HB   LEU  13           HB1      LEU  13  -0.328   8.423   1.781
   84    HG   LEU  13           HG       LEU  13   1.135   9.691  -0.182
   85   1HD1  LEU  13          HD11      LEU  13  -1.794  10.278  -0.776
   86   2HD1  LEU  13          HD13      LEU  13  -0.468  11.114  -1.502
   87   3HD1  LEU  13          HD12      LEU  13  -0.715   9.435  -1.825
   88   1HD2  LEU  13          HD23      LEU  13   0.304  10.692   2.136
   89   2HD2  LEU  13          HD22      LEU  13   0.259  11.862   0.809
   90   3HD2  LEU  13          HD21      LEU  13  -1.185  11.033   1.314
   91    OH   TYR  14           OH       TYR  14   3.303  12.739  -0.894
   92    H    TYR  14           HN       TYR  14   1.637   8.011  -1.668
   93    HA   TYR  14           HA       TYR  14   0.070   8.265  -4.067
   94   1HB   TYR  14           HB2      TYR  14   3.080   7.554  -4.098
   95   2HB   TYR  14           HB1      TYR  14   2.203   8.598  -5.216
   96    HD1  TYR  14           HD1      TYR  14   0.674  10.380  -3.684
   97    HD2  TYR  14           HD2      TYR  14   4.554   8.860  -2.828
   98    HE1  TYR  14           HE1      TYR  14   1.098  12.311  -2.276
   99    HE2  TYR  14           HE2      TYR  14   4.980  10.828  -1.388
  100    HH   TYR  14           HH       TYR  14   3.571  13.466  -1.481
  101    H    GLN  15           HN       GLN  15   2.052   5.755  -2.791
  102    HA   GLN  15           HA       GLN  15   1.535   3.854  -4.882
  103   1HB   GLN  15           HB2      GLN  15   2.528   3.744  -2.053
  104   2HB   GLN  15           HB1      GLN  15   1.981   2.250  -2.747
  105   1HG   GLN  15           HG2      GLN  15   4.253   2.361  -3.394
  106   2HG   GLN  15           HG1      GLN  15   3.501   3.035  -4.806
  107   1HE2  GLN  15          HE22      GLN  15   6.173   5.264  -4.001
  108   2HE2  GLN  15          HE21      GLN  15   6.054   3.626  -4.410
  109    H    LEU  16           HN       LEU  16   0.204   4.092  -1.546
  110    HA   LEU  16           HA       LEU  16  -1.894   2.352  -1.812
  111   1HB   LEU  16           HB2      LEU  16  -1.842   5.088  -0.430
  112   2HB   LEU  16           HB1      LEU  16  -3.234   4.055  -0.298
  113    HG   LEU  16           HG       LEU  16  -1.530   2.152   0.315
  114   1HD1  LEU  16          HD11      LEU  16   0.209   4.498   1.038
  115   2HD1  LEU  16          HD13      LEU  16   0.415   2.855   1.573
  116   3HD1  LEU  16          HD12      LEU  16   0.591   3.222  -0.112
  117   1HD2  LEU  16          HD22      LEU  16  -3.146   3.094   1.897
  118   2HD2  LEU  16          HD21      LEU  16  -1.606   2.765   2.659
  119   3HD2  LEU  16          HD23      LEU  16  -2.042   4.417   2.256
  120    H    GLU  17           HN       GLU  17  -2.062   5.623  -3.140
  121    HA   GLU  17           HA       GLU  17  -4.637   5.560  -4.199
  122   1HB   GLU  17           HB2      GLU  17  -2.081   7.034  -5.107
  123   2HB   GLU  17           HB1      GLU  17  -3.632   7.428  -5.788
  124   1HG   GLU  17           HG2      GLU  17  -4.379   8.168  -3.505
  125   2HG   GLU  17           HG1      GLU  17  -2.780   7.811  -2.879
  126    H    ASN  18           HN       ASN  18  -1.654   5.150  -5.915
  127    HA   ASN  18           HA       ASN  18  -2.667   4.119  -8.416
  128   1HB   ASN  18           HB2      ASN  18   0.008   3.992  -7.006
  129   2HB   ASN  18           HB1      ASN  18  -0.200   3.303  -8.606
  130   1HD2  ASN  18          HD22      ASN  18  -0.208   7.332  -8.243
  131   2HD2  ASN  18          HD21      ASN  18  -0.250   6.378  -6.831
  132    OH   TYR  19           OH       TYR  19  -0.190  -4.690  -2.746
  133    H    TYR  19           HN       TYR  19  -1.992   2.705  -5.565
  134    HA   TYR  19           HA       TYR  19  -2.441  -0.085  -6.391
  135   1HB   TYR  19           HB2      TYR  19  -0.097   0.702  -5.545
  136   2HB   TYR  19           HB1      TYR  19  -0.859   1.147  -4.057
  137    HD1  TYR  19           HD1      TYR  19  -1.490  -1.921  -6.057
  138    HD2  TYR  19           HD2      TYR  19   0.025  -0.188  -2.492
  139    HE1  TYR  19           HE1      TYR  19  -1.164  -4.135  -5.133
  140    HE2  TYR  19           HE2      TYR  19   0.356  -2.371  -1.557
  141    HH   TYR  19           HH       TYR  19   0.568  -4.591  -2.167
  142    H    CYS  20           HN       CYS  20  -4.440   1.898  -5.914
  143    HA   CYS  20           HA       CYS  20  -5.572   1.212  -3.330
  144   1HB   CYS  20           HB2      CYS  20  -5.818   3.483  -4.361
  145   2HB   CYS  20           HB1      CYS  20  -6.696   2.805  -5.691
  146    H    ASN  21           HN       ASN  21  -8.359   1.129  -4.908
  147    HA   ASN  21           HA       ASN  21  -9.729  -0.778  -5.072
  148   1HB   ASN  21           HB2      ASN  21  -9.775  -0.995  -7.632
  149   2HB   ASN  21           HB1      ASN  21  -9.905   0.632  -6.981
  150   1HD2  ASN  21          HD22      ASN  21  -6.123   0.025  -8.188
  151   2HD2  ASN  21          HD21      ASN  21  -6.758  -0.961  -6.943
  152   1H    PHE   1           HT2      PHE   1   3.767  10.485   0.665
  153   2H    PHE   1           HT1      PHE   1   2.269  10.308   1.381
  154   3H    PHE   1           HT3      PHE   1   2.569  11.607   0.348
  155    HA   PHE   1           HA       PHE   1   3.132  12.911   1.981
  156   1HB   PHE   1           HB2      PHE   1   3.034  12.016   4.371
  157   2HB   PHE   1           HB1      PHE   1   1.604  11.610   3.485
  158    HD1  PHE   1           HD1      PHE   1   1.639   9.078   2.355
  159    HD2  PHE   1           HD2      PHE   1   4.147  10.405   5.549
  160    HE1  PHE   1           HE1      PHE   1   2.062   6.767   2.990
  161    HE2  PHE   1           HE2      PHE   1   4.552   8.077   6.164
  162    HZ   PHE   1           HZ       PHE   1   3.517   6.259   4.889
  163    H    VAL   2           HN       VAL   2   5.112  10.297   3.602
  164    HA   VAL   2           HA       VAL   2   7.493  11.932   2.711
  165    HB   VAL   2           HB       VAL   2   8.584  11.335   4.785
  166   1HG1  VAL   2          HG11      VAL   2   7.063  13.231   4.943
  167   2HG1  VAL   2          HG13      VAL   2   5.725  12.186   5.384
  168   3HG1  VAL   2          HG12      VAL   2   7.091  12.370   6.467
  169   1HG2  VAL   2          HG23      VAL   2   6.207   9.587   5.577
  170   2HG2  VAL   2          HG22      VAL   2   7.836   9.028   5.213
  171   3HG2  VAL   2          HG21      VAL   2   7.546  10.032   6.600
  172    H    ASN   3           HN       ASN   3   6.585   8.778   3.681
  173    HA   ASN   3           HA       ASN   3   6.629   6.807   2.286
  174   1HB   ASN   3           HB2      ASN   3   8.029   8.112   0.650
  175   2HB   ASN   3           HB1      ASN   3   9.424   7.737   1.665
  176   1HD2  ASN   3          HD22      ASN   3   8.594   5.268  -1.158
  177   2HD2  ASN   3          HD21      ASN   3   8.258   6.937  -1.169
  178    H    GLN   4           HN       GLN   4   7.503   4.794   2.739
  179    HA   GLN   4           HA       GLN   4   9.662   4.100   4.466
  180   1HB   GLN   4           HB2      GLN   4   7.829   5.345   6.019
  181   2HB   GLN   4           HB1      GLN   4   7.003   3.808   5.907
  182   1HG   GLN   4           HG2      GLN   4   8.504   3.552   7.828
  183   2HG   GLN   4           HG1      GLN   4   9.372   2.755   6.529
  184   1HE2  GLN   4          HE22      GLN   4  11.262   6.138   6.827
  185   2HE2  GLN   4          HE21      GLN   4   9.822   6.068   5.924
  186    H    HIS   5           HN       HIS   5   8.073   1.895   5.569
  187    HA   HIS   5           HA       HIS   5   7.708   0.397   3.149
  188   1HB   HIS   5           HB2      HIS   5   8.824  -0.576   5.737
  189   2HB   HIS   5           HB1      HIS   5   8.248  -1.697   4.495
  190    HD1  HIS   5           HD1      HIS   5   9.093  -0.905   2.123
  191    HD2  HIS   5           HD2      HIS   5  11.351  -0.057   5.354
  192    HE1  HIS   5           HE1      HIS   5  11.479  -0.509   1.285
  193    H    LEU   6           HN       LEU   6   6.010  -0.943   2.788
  194    HA   LEU   6           HA       LEU   6   3.949  -1.403   4.927
  195   1HB   LEU   6           HB2      LEU   6   3.119  -0.977   2.119
  196   2HB   LEU   6           HB1      LEU   6   2.205  -1.153   3.581
  197    HG   LEU   6           HG       LEU   6   4.150   1.059   3.706
  198   1HD1  LEU   6          HD12      LEU   6   1.576   1.085   2.044
  199   2HD1  LEU   6          HD11      LEU   6   2.577   2.499   2.378
  200   3HD1  LEU   6          HD13      LEU   6   3.190   1.203   1.376
  201   1HD2  LEU   6          HD21      LEU   6   1.198   0.697   4.398
  202   2HD2  LEU   6          HD23      LEU   6   2.532   0.441   5.501
  203   3HD2  LEU   6          HD22      LEU   6   2.213   2.048   4.883
  204    H    CYS   7           HN       CYS   7   4.433  -3.694   5.229
  205    HA   CYS   7           HA       CYS   7   4.205  -5.257   2.802
  206   1HB   CYS   7           HB2      CYS   7   6.302  -5.394   4.389
  207   2HB   CYS   7           HB1      CYS   7   5.262  -6.371   5.411
  208    H    GLY   8           HN       GLY   8   3.294  -7.558   3.526
  209   1HA   GLY   8           HA2      GLY   8   0.808  -8.132   3.619
  210   2HA   GLY   8           HA1      GLY   8   1.563  -8.620   5.119
  211    H    SER   9           HN       SER   9   1.219  -7.336   6.965
  212    HA   SER   9           HA       SER   9  -1.430  -6.335   7.352
  213   1HB   SER   9           HB2      SER   9  -0.466  -5.500   9.562
  214   2HB   SER   9           HB1      SER   9  -0.217  -7.218   9.245
  215    HG   SER   9           HG1      SER   9   1.647  -5.510   9.722
  216    H    HIS  10           HN       HIS  10   1.399  -4.392   7.830
  217    HA   HIS  10           HA       HIS  10   0.312  -1.901   8.078
  218   1HB   HIS  10           HB2      HIS  10   2.889  -2.859   7.901
  219   2HB   HIS  10           HB1      HIS  10   2.777  -2.115   6.316
  220    HD1  HIS  10           HD1      HIS  10   4.347  -0.089   7.022
  221    HD2  HIS  10           HD2      HIS  10   1.041  -0.490   9.407
  222    HE1  HIS  10           HE1      HIS  10   4.222   1.938   8.429
  223    H    LEU  11           HN       LEU  11   1.069  -3.510   5.180
  224    HA   LEU  11           HA       LEU  11   0.212  -1.514   3.307
  225   1HB   LEU  11           HB2      LEU  11   1.797  -3.524   2.977
  226   2HB   LEU  11           HB1      LEU  11   0.399  -4.551   2.971
  227    HG   LEU  11           HG       LEU  11   0.605  -2.164   1.181
  228   1HD1  LEU  11          HD11      LEU  11   1.497  -5.066   0.662
  229   2HD1  LEU  11          HD13      LEU  11   1.447  -3.840  -0.595
  230   3HD1  LEU  11          HD12      LEU  11   2.570  -3.688   0.719
  231   1HD2  LEU  11          HD23      LEU  11  -0.851  -4.862   1.016
  232   2HD2  LEU  11          HD22      LEU  11  -1.625  -3.346   1.316
  233   3HD2  LEU  11          HD21      LEU  11  -0.939  -3.643  -0.248
  234    H    VAL  12           HN       VAL  12  -1.498  -4.610   4.086
  235    HA   VAL  12           HA       VAL  12  -3.864  -3.685   2.733
  236    HB   VAL  12           HB       VAL  12  -5.037  -5.475   3.910
  237   1HG1  VAL  12          HG11      VAL  12  -3.627  -6.148   2.045
  238   2HG1  VAL  12          HG13      VAL  12  -2.255  -6.335   3.134
  239   3HG1  VAL  12          HG12      VAL  12  -3.635  -7.413   3.272
  240   1HG2  VAL  12          HG21      VAL  12  -2.540  -5.805   5.607
  241   2HG2  VAL  12          HG23      VAL  12  -4.103  -5.270   6.147
  242   3HG2  VAL  12          HG22      VAL  12  -3.901  -6.911   5.610
  243    H    GLU  13           HN       GLU  13  -3.156  -3.582   6.292
  244    HA   GLU  13           HA       GLU  13  -5.386  -2.229   7.196
  245   1HB   GLU  13           HB2      GLU  13  -2.514  -2.201   7.921
  246   2HB   GLU  13           HB1      GLU  13  -3.482  -0.923   8.623
  247   1HG   GLU  13           HG2      GLU  13  -3.631  -2.675  10.211
  248   2HG   GLU  13           HG1      GLU  13  -5.123  -2.834   9.314
  249    H    ALA  14           HN       ALA  14  -2.511  -0.560   6.101
  250    HA   ALA  14           HA       ALA  14  -3.571   2.033   6.158
  251   1HB   ALA  14           HB2      ALA  14  -1.208   1.428   5.818
  252   2HB   ALA  14           HB1      ALA  14  -1.622   0.833   4.201
  253   3HB   ALA  14           HB3      ALA  14  -1.788   2.563   4.589
  254    H    LEU  15           HN       LEU  15  -3.528  -0.207   3.367
  255    HA   LEU  15           HA       LEU  15  -4.856   1.532   1.616
  256   1HB   LEU  15           HB2      LEU  15  -4.103  -1.363   1.855
  257   2HB   LEU  15           HB1      LEU  15  -5.280  -0.944   0.617
  258    HG   LEU  15           HG       LEU  15  -2.851   0.889   0.950
  259   1HD1  LEU  15          HD13      LEU  15  -1.805  -1.361   0.675
  260   2HD1  LEU  15          HD12      LEU  15  -2.655  -1.533  -0.873
  261   3HD1  LEU  15          HD11      LEU  15  -1.516  -0.254  -0.643
  262   1HD2  LEU  15          HD22      LEU  15  -4.513  -0.154  -1.410
  263   2HD2  LEU  15          HD21      LEU  15  -4.795   1.387  -0.597
  264   3HD2  LEU  15          HD23      LEU  15  -3.348   1.108  -1.532
  265    OH   TYR  16           OH       TYR  16  -6.540  -6.523   6.447
  266    H    TYR  16           HN       TYR  16  -6.074  -1.001   3.654
  267    HA   TYR  16           HA       TYR  16  -8.734  -1.009   3.205
  268   1HB   TYR  16           HB2      TYR  16  -7.238  -0.802   5.703
  269   2HB   TYR  16           HB1      TYR  16  -8.930  -1.060   5.856
  270    HD1  TYR  16           HD2      TYR  16  -7.890  -3.421   3.376
  271    HD2  TYR  16           HD1      TYR  16  -7.520  -2.331   7.457
  272    HE1  TYR  16           HE2      TYR  16  -7.199  -5.714   3.960
  273    HE2  TYR  16           HE1      TYR  16  -6.849  -4.558   8.022
  274    HH   TYR  16           HH       TYR  16  -5.858  -6.236   7.085
  275    H    LEU  17           HN       LEU  17  -7.038   1.300   5.210
  276    HA   LEU  17           HA       LEU  17  -9.589   2.864   5.369
  277   1HB   LEU  17           HB2      LEU  17  -7.142   4.137   6.478
  278   2HB   LEU  17           HB1      LEU  17  -8.754   4.009   7.164
  279    HG   LEU  17           HG       LEU  17  -6.747   1.948   6.815
  280   1HD1  LEU  17          HD12      LEU  17  -5.973   3.610   8.490
  281   2HD1  LEU  17          HD11      LEU  17  -7.507   3.528   9.338
  282   3HD1  LEU  17          HD13      LEU  17  -6.403   2.164   9.381
  283   1HD2  LEU  17          HD23      LEU  17  -9.077   0.997   7.123
  284   2HD2  LEU  17          HD22      LEU  17  -8.167   0.643   8.578
  285   3HD2  LEU  17          HD21      LEU  17  -9.304   1.980   8.554
  286    H    VAL  18           HN       VAL  18  -6.290   3.655   4.633
  287    HA   VAL  18           HA       VAL  18  -6.652   6.140   3.771
  288    HB   VAL  18           HB       VAL  18  -4.797   4.065   2.536
  289   1HG1  VAL  18          HG12      VAL  18  -4.651   7.117   2.295
  290   2HG1  VAL  18          HG11      VAL  18  -3.429   6.015   1.690
  291   3HG1  VAL  18          HG13      VAL  18  -5.022   6.031   0.977
  292   1HG2  VAL  18          HG22      VAL  18  -4.301   6.297   4.582
  293   2HG2  VAL  18          HG21      VAL  18  -4.436   4.595   4.980
  294   3HG2  VAL  18          HG23      VAL  18  -3.084   5.163   4.026
  295    H    CYS  19           HN       CYS  19  -6.985   3.293   2.104
  296    HA   CYS  19           HA       CYS  19  -8.864   4.294   0.049
  297   1HB   CYS  19           HB2      CYS  19  -6.163   3.896  -0.390
  298   2HB   CYS  19           HB1      CYS  19  -6.861   2.456  -1.015
  299    H    GLY  20           HN       GLY  20  -9.744   2.456   2.182
  300   1HA   GLY  20           HA2      GLY  20  -9.775  -0.212   0.684
  301   2HA   GLY  20           HA1      GLY  20 -10.381  -0.054   2.326
  302    H    GLU  21           HN       GLU  21 -11.672   2.277   1.865
  303    HA   GLU  21           HA       GLU  21 -14.215   1.389   1.129
  304   1HB   GLU  21           HB2      GLU  21 -13.574   3.151   2.769
  305   2HB   GLU  21           HB1      GLU  21 -12.996   4.175   1.497
  306   1HG   GLU  21           HG2      GLU  21 -15.279   4.451   0.578
  307   2HG   GLU  21           HG1      GLU  21 -15.910   3.142   1.559
  308    NH1  ARG  22           NH2      ARG  22  -7.373   0.599  -2.317
  309    NH2  ARG  22           NH1      ARG  22  -7.976  -1.402  -1.804
  310    H    ARG  22           HN       ARG  22 -13.312   0.436  -0.965
  311    HA   ARG  22           HA       ARG  22 -14.459   1.517  -3.320
  312   1HB   ARG  22           HB2      ARG  22 -12.712   2.515  -4.528
  313   2HB   ARG  22           HB1      ARG  22 -12.187   2.950  -2.936
  314   1HG   ARG  22           HG2      ARG  22 -11.101   0.567  -4.518
  315   2HG   ARG  22           HG1      ARG  22 -10.338   2.122  -4.398
  316   1HD   ARG  22           HD2      ARG  22  -9.736   1.947  -2.250
  317   2HD   ARG  22           HD1      ARG  22 -11.008   0.853  -1.759
  318    HE   ARG  22           HE       ARG  22  -9.634  -0.876  -3.377
  319   1HH1  ARG  22          HH21      ARG  22  -7.664   1.468  -2.689
  320   2HH1  ARG  22          HH22      ARG  22  -6.462   0.451  -1.971
  321   1HH2  ARG  22          HH11      ARG  22  -8.738  -2.026  -1.796
  322   2HH2  ARG  22          HH12      ARG  22  -7.102  -1.651  -1.438
  323    H    GLY  23           HN       GLY  23 -11.465  -0.650  -2.842
  324   1HA   GLY  23           HA2      GLY  23 -12.959  -3.070  -3.540
  325   2HA   GLY  23           HA1      GLY  23 -11.974  -2.483  -4.901
  326    H    PHE  24           HN       PHE  24 -10.666  -4.737  -4.196
  327    HA   PHE  24           HA       PHE  24  -8.570  -3.552  -2.524
  328   1HB   PHE  24           HB2      PHE  24 -10.545  -4.930  -1.162
  329   2HB   PHE  24           HB1      PHE  24  -9.339  -6.220  -1.341
  330    HD1  PHE  24           HD1      PHE  24  -7.039  -5.875  -0.537
  331    HD2  PHE  24           HD2      PHE  24  -9.955  -2.796  -0.085
  332    HE1  PHE  24           HE1      PHE  24  -5.528  -4.638   0.915
  333    HE2  PHE  24           HE2      PHE  24  -8.425  -1.566   1.339
  334    HZ   PHE  24           HZ       PHE  24  -6.212  -2.497   1.849
  335    OH   TYR  25           OH       TYR  25  -3.717  -3.360   0.391
  336    H    TYR  25           HN       TYR  25  -7.591  -3.906  -4.691
  337    HA   TYR  25           HA       TYR  25  -6.345  -5.383  -6.180
  338   1HB   TYR  25           HB2      TYR  25  -4.047  -4.471  -5.632
  339   2HB   TYR  25           HB1      TYR  25  -5.298  -3.264  -5.493
  340    HD1  TYR  25           HD2      TYR  25  -6.071  -2.501  -3.374
  341    HD2  TYR  25           HD1      TYR  25  -2.938  -5.352  -3.558
  342    HE1  TYR  25           HE2      TYR  25  -5.517  -2.142  -0.919
  343    HE2  TYR  25           HE1      TYR  25  -2.451  -4.942  -1.148
  344    HH   TYR  25           HH       TYR  25  -3.356  -2.476   0.498
  345    H    THR  26           HN       THR  26  -5.369  -6.070  -2.998
  346    HA   THR  26           HA       THR  26  -4.747  -7.952  -1.754
  347    HB   THR  26           HB       THR  26  -4.603 -10.266  -2.693
  348    HG1  THR  26           HG1      THR  26  -5.682  -9.213  -4.997
  349   1HG2  THR  26          HG21      THR  26  -7.002  -8.672  -3.696
  350   2HG2  THR  26          HG23      THR  26  -6.942 -10.410  -3.409
  351   3HG2  THR  26          HG22      THR  26  -6.818  -9.283  -2.070
  352    HA   PRO  27           HA       PRO  27  -0.471  -7.097  -2.665
  353   1HB   PRO  27           HB2      PRO  27   0.523  -7.106  -0.179
  354   2HB   PRO  27           HB1      PRO  27  -0.672  -5.915  -0.704
  355   1HG   PRO  27           HG2      PRO  27  -1.211  -8.622   0.678
  356   2HG   PRO  27           HG1      PRO  27  -1.666  -7.024   1.278
  357   1HD   PRO  27           HD2      PRO  27  -3.405  -8.524  -0.143
  358   2HD   PRO  27           HD1      PRO  27  -3.357  -6.760  -0.380
  359    H    LYS  28           HN       LYS  28  -0.696  -9.406  -3.692
  360    HA   LYS  28           HA       LYS  28   0.737 -11.474  -2.398
  361   1HB   LYS  28           HB2      LYS  28   0.496 -12.586  -4.699
  362   2HB   LYS  28           HB1      LYS  28  -0.914 -12.335  -3.713
  363   1HG   LYS  28           HG2      LYS  28  -0.532  -9.992  -5.452
  364   2HG   LYS  28           HG1      LYS  28  -0.375 -11.443  -6.419
  365   1HD   LYS  28           HD2      LYS  28  -2.467 -12.391  -5.349
  366   2HD   LYS  28           HD1      LYS  28  -2.667 -10.911  -4.456
  367   1HE   LYS  28           HE2      LYS  28  -2.754 -11.072  -7.498
  368   2HE   LYS  28           HE1      LYS  28  -4.175 -11.082  -6.454
  369   1HZ   LYS  28           HZ1      LYS  28  -2.525  -9.043  -5.566
  370   2HZ   LYS  28           HZ3      LYS  28  -2.691  -8.762  -7.232
  371   3HZ   LYS  28           HZ2      LYS  28  -4.008  -8.868  -6.150
  372    H    THR  29           HN       THR  29   2.681 -10.877  -2.022
  373    HA   THR  29           HA       THR  29   4.694 -10.206  -3.972
  374    HB   THR  29           HB       THR  29   4.570  -8.453  -2.271
  375    HG1  THR  29           HG1      THR  29   6.565 -10.300  -2.356
  376   1HG2  THR  29          HG21      THR  29   5.204 -10.668  -0.296
  377   2HG2  THR  29          HG23      THR  29   5.050  -8.962   0.088
  378   3HG2  THR  29          HG22      THR  29   3.622  -9.907  -0.360
   
  Start of MODEL          11
 Raw file had  378 H/Q atoms
  Start of MODEL   11
    1   1H    GLY   1           HT3      GLY   1   6.368  -8.783  -5.333
    2   2H    GLY   1           HT2      GLY   1   5.667  -9.887  -6.351
    3   3H    GLY   1           HT1      GLY   1   7.296  -9.513  -6.509
    4   1HA   GLY   1           HA1      GLY   1   6.987  -7.722  -7.754
    5   2HA   GLY   1           HA2      GLY   1   5.385  -8.354  -8.026
    6    H    ILE   2           HN       ILE   2   3.659  -7.428  -6.731
    7    HA   ILE   2           HA       ILE   2   3.721  -4.520  -6.683
    8    HB   ILE   2           HB       ILE   2   1.909  -6.066  -7.462
    9   1HG1  ILE   2          HG12      ILE   2   1.418  -3.665  -6.688
   10   2HG1  ILE   2          HG11      ILE   2   0.099  -4.761  -6.982
   11   1HG2  ILE   2          HG22      ILE   2   1.998  -7.832  -5.742
   12   2HG2  ILE   2          HG21      ILE   2   1.428  -6.707  -4.527
   13   3HG2  ILE   2          HG23      ILE   2   0.385  -7.167  -5.855
   14   1HD1  ILE   2           HD1      ILE   2   1.216  -4.222  -4.200
   15   2HD1  ILE   2           HD3      ILE   2  -0.205  -3.462  -4.906
   16   3HD1  ILE   2           HD2      ILE   2  -0.191  -5.186  -4.585
   17    H    VAL   3           HN       VAL   3   3.244  -6.809  -4.007
   18    HA   VAL   3           HA       VAL   3   3.382  -4.770  -1.963
   19    HB   VAL   3           HB       VAL   3   4.050  -7.786  -1.915
   20   1HG1  VAL   3          HG11      VAL   3   3.682  -5.967   0.491
   21   2HG1  VAL   3          HG13      VAL   3   3.912  -7.702   0.550
   22   3HG1  VAL   3          HG12      VAL   3   5.210  -6.667  -0.006
   23   1HG2  VAL   3          HG23      VAL   3   1.633  -6.266  -0.837
   24   2HG2  VAL   3          HG22      VAL   3   1.661  -7.228  -2.308
   25   3HG2  VAL   3          HG21      VAL   3   1.868  -8.009  -0.753
   26    H    GLU   4           HN       GLU   4   5.608  -6.906  -3.355
   27    HA   GLU   4           HA       GLU   4   8.050  -6.529  -2.284
   28   1HB   GLU   4           HB2      GLU   4   6.993  -7.213  -4.797
   29   2HB   GLU   4           HB1      GLU   4   8.315  -6.143  -5.140
   30   1HG   GLU   4           HG2      GLU   4   9.946  -7.583  -4.199
   31   2HG   GLU   4           HG1      GLU   4   8.773  -8.484  -3.244
   32    H    GLN   5           HN       GLN   5   6.459  -4.613  -4.726
   33    HA   GLN   5           HA       GLN   5   8.120  -2.400  -5.023
   34   1HB   GLN   5           HB2      GLN   5   5.738  -3.134  -6.157
   35   2HB   GLN   5           HB1      GLN   5   5.126  -1.888  -5.088
   36   1HG   GLN   5           HG2      GLN   5   7.167  -1.523  -7.353
   37   2HG   GLN   5           HG1      GLN   5   5.607  -0.749  -7.192
   38   1HE2  GLN   5          HE22      GLN   5   7.298   1.254  -4.482
   39   2HE2  GLN   5          HE21      GLN   5   6.009   0.129  -4.393
   40    H    CYS   6           HN       CYS   6   5.227  -2.543  -3.032
   41    HA   CYS   6           HA       CYS   6   6.203  -0.168  -1.403
   42   1HB   CYS   6           HB2      CYS   6   3.756  -0.864  -2.292
   43   2HB   CYS   6           HB1      CYS   6   3.684  -1.732  -0.787
   44    H    CYS   7           HN       CYS   7   7.333  -2.962  -1.152
   45    HA   CYS   7           HA       CYS   7   7.570  -2.879   1.735
   46   1HB   CYS   7           HB2      CYS   7   6.489  -4.831   1.152
   47   2HB   CYS   7           HB1      CYS   7   7.442  -5.087  -0.280
   48    H    THR   8           HN       THR   8   9.237  -2.995  -1.164
   49    HA   THR   8           HA       THR   8  11.934  -2.556   0.075
   50    HB   THR   8           HB       THR   8  11.458  -4.096  -2.543
   51    HG1  THR   8           HG1      THR   8  11.426  -4.645   0.064
   52   1HG2  THR   8          HG22      THR   8  13.882  -3.538  -0.713
   53   2HG2  THR   8          HG21      THR   8  13.936  -4.428  -2.225
   54   3HG2  THR   8          HG23      THR   8  13.699  -2.687  -2.229
   55    H    SER   9           HN       SER   9   9.905  -1.542  -2.757
   56    HA   SER   9           HA       SER   9  11.892   0.541  -3.109
   57   1HB   SER   9           HB2      SER   9  10.731   0.939  -5.271
   58   2HB   SER   9           HB1      SER   9  11.811  -0.472  -5.073
   59    HG   SER   9           HG1      SER   9   9.125  -0.386  -5.540
   60    H    ILE  10           HN       ILE  10  10.884   0.938  -1.391
   61    HA   ILE  10           HA       ILE  10   9.750   2.235   0.215
   62    HB   ILE  10           HB       ILE  10  10.900   3.597  -1.980
   63   1HG1  ILE  10          HG12      ILE  10  12.092   1.834  -0.827
   64   2HG1  ILE  10          HG11      ILE  10  12.841   3.387  -0.988
   65   1HG2  ILE  10          HG23      ILE  10   9.579   5.305  -0.607
   66   2HG2  ILE  10          HG22      ILE  10  10.497   4.717   0.776
   67   3HG2  ILE  10          HG21      ILE  10  11.292   5.574  -0.508
   68   1HD1  ILE  10           HD2      ILE  10  11.364   2.260   1.344
   69   2HD1  ILE  10           HD1      ILE  10  13.112   2.244   1.096
   70   3HD1  ILE  10           HD3      ILE  10  12.260   3.787   1.324
   71    H    CYS  11           HN       CYS  11   8.128   3.633  -2.696
   72    HA   CYS  11           HA       CYS  11   5.837   4.145  -2.929
   73   1HB   CYS  11           HB2      CYS  11   5.724   1.699  -3.025
   74   2HB   CYS  11           HB1      CYS  11   5.759   1.672  -1.300
   75    H    SER  12           HN       SER  12   4.403   5.564  -2.264
   76    HA   SER  12           HA       SER  12   3.614   5.654   0.555
   77   1HB   SER  12           HB2      SER  12   5.456   7.583  -0.259
   78   2HB   SER  12           HB1      SER  12   3.993   8.337  -0.819
   79    HG   SER  12           HG1      SER  12   4.736   7.731   1.803
   80    H    LEU  13           HN       LEU  13   2.237   7.665   0.526
   81    HA   LEU  13           HA       LEU  13  -0.442   7.338   0.291
   82   1HB   LEU  13           HB2      LEU  13   0.932   9.890  -0.661
   83   2HB   LEU  13           HB1      LEU  13  -0.765   9.791  -0.254
   84    HG   LEU  13           HG       LEU  13   1.492   9.131   1.709
   85   1HD1  LEU  13          HD13      LEU  13  -0.242  11.627   1.362
   86   2HD1  LEU  13          HD12      LEU  13   0.932  11.363   2.640
   87   3HD1  LEU  13          HD11      LEU  13   1.465  11.528   0.981
   88   1HD2  LEU  13          HD23      LEU  13  -1.497   9.700   2.077
   89   2HD2  LEU  13          HD22      LEU  13  -0.777   8.104   2.214
   90   3HD2  LEU  13          HD21      LEU  13  -0.350   9.354   3.355
   91    OH   TYR  14           OH       TYR  14   0.481  14.374  -2.389
   92    H    TYR  14           HN       TYR  14   0.769   9.053  -2.450
   93    HA   TYR  14           HA       TYR  14  -1.360   8.618  -4.259
   94   1HB   TYR  14           HB2      TYR  14   1.611   8.953  -5.008
   95   2HB   TYR  14           HB1      TYR  14   0.219   9.427  -5.968
   96    HD1  TYR  14           HD1      TYR  14  -1.536  10.963  -4.560
   97    HD2  TYR  14           HD2      TYR  14   2.651  10.700  -3.837
   98    HE1  TYR  14           HE1      TYR  14  -1.568  13.167  -3.428
   99    HE2  TYR  14           HE2      TYR  14   2.572  12.909  -2.711
  100    HH   TYR  14           HH       TYR  14   0.220  15.010  -3.058
  101    H    GLN  15           HN       GLN  15   1.504   6.707  -3.687
  102    HA   GLN  15           HA       GLN  15   1.026   4.756  -5.780
  103   1HB   GLN  15           HB2      GLN  15   3.181   4.994  -4.648
  104   2HB   GLN  15           HB1      GLN  15   2.498   4.391  -3.137
  105   1HG   GLN  15           HG2      GLN  15   2.124   2.248  -3.870
  106   2HG   GLN  15           HG1      GLN  15   1.895   2.681  -5.544
  107   1HE2  GLN  15          HE22      GLN  15   5.765   2.807  -5.046
  108   2HE2  GLN  15          HE21      GLN  15   4.760   4.087  -4.538
  109    H    LEU  16           HN       LEU  16   0.504   4.388  -2.208
  110    HA   LEU  16           HA       LEU  16  -1.022   2.219  -1.936
  111   1HB   LEU  16           HB2      LEU  16  -1.902   4.936  -0.846
  112   2HB   LEU  16           HB1      LEU  16  -2.517   3.412  -0.278
  113    HG   LEU  16           HG       LEU  16   0.436   3.987  -0.347
  114   1HD1  LEU  16          HD13      LEU  16  -0.879   5.645   1.147
  115   2HD1  LEU  16          HD12      LEU  16  -1.611   4.282   1.950
  116   3HD1  LEU  16          HD11      LEU  16   0.114   4.575   2.114
  117   1HD2  LEU  16          HD22      LEU  16  -1.262   2.050   1.245
  118   2HD2  LEU  16          HD21      LEU  16  -0.203   1.645  -0.105
  119   3HD2  LEU  16          HD23      LEU  16   0.478   2.247   1.381
  120    H    GLU  17           HN       GLU  17  -2.402   5.261  -2.818
  121    HA   GLU  17           HA       GLU  17  -4.975   4.588  -3.580
  122   1HB   GLU  17           HB2      GLU  17  -3.567   6.845  -3.256
  123   2HB   GLU  17           HB1      GLU  17  -3.375   6.748  -4.986
  124   1HG   GLU  17           HG2      GLU  17  -6.074   6.734  -3.608
  125   2HG   GLU  17           HG1      GLU  17  -5.305   8.170  -4.216
  126    H    ASN  18           HN       ASN  18  -2.499   5.277  -5.938
  127    HA   ASN  18           HA       ASN  18  -3.790   4.277  -8.254
  128   1HB   ASN  18           HB2      ASN  18  -0.886   4.607  -7.483
  129   2HB   ASN  18           HB1      ASN  18  -1.379   4.350  -9.144
  130   1HD2  ASN  18          HD22      ASN  18  -3.089   7.769  -8.038
  131   2HD2  ASN  18          HD21      ASN  18  -3.761   6.312  -7.495
  132    OH   TYR  19           OH       TYR  19   2.225  -2.708  -2.654
  133    H    TYR  19           HN       TYR  19  -2.064   2.672  -5.944
  134    HA   TYR  19           HA       TYR  19  -1.969  -0.008  -7.273
  135   1HB   TYR  19           HB2      TYR  19   0.076   0.790  -7.061
  136   2HB   TYR  19           HB1      TYR  19  -0.234   1.792  -5.703
  137    HD1  TYR  19           HD1      TYR  19  -0.866   0.459  -3.519
  138    HD2  TYR  19           HD2      TYR  19   1.540  -0.872  -6.722
  139    HE1  TYR  19           HE1      TYR  19   0.284  -1.040  -2.005
  140    HE2  TYR  19           HE2      TYR  19   2.698  -2.375  -5.261
  141    HH   TYR  19           HH       TYR  19   3.031  -2.949  -3.123
  142    H    CYS  20           HN       CYS  20  -4.299   1.202  -5.635
  143    HA   CYS  20           HA       CYS  20  -4.626  -1.109  -3.740
  144   1HB   CYS  20           HB2      CYS  20  -6.162   0.382  -2.472
  145   2HB   CYS  20           HB1      CYS  20  -4.601   1.100  -2.649
  146    H    ASN  21           HN       ASN  21  -7.424   0.406  -3.896
  147    HA   ASN  21           HA       ASN  21  -9.481  -0.621  -4.384
  148   1HB   ASN  21           HB2      ASN  21 -10.152   0.465  -6.517
  149   2HB   ASN  21           HB1      ASN  21  -9.250   1.526  -5.441
  150   1HD2  ASN  21          HD22      ASN  21  -6.722   0.469  -8.307
  151   2HD2  ASN  21          HD21      ASN  21  -7.260  -0.668  -7.155
  152   1H    PHE   1           HT1      PHE   1   3.834  10.804   9.926
  153   2H    PHE   1           HT3      PHE   1   2.411  10.814   9.004
  154   3H    PHE   1           HT2      PHE   1   2.486   9.938  10.458
  155    HA   PHE   1           HA       PHE   1   3.291   8.124   9.414
  156   1HB   PHE   1           HB2      PHE   1   1.852   9.155   7.428
  157   2HB   PHE   1           HB1      PHE   1   3.363   9.799   6.803
  158    HD1  PHE   1           HD1      PHE   1   2.411   6.485   8.374
  159    HD2  PHE   1           HD2      PHE   1   4.069   8.514   4.987
  160    HE1  PHE   1           HE1      PHE   1   2.880   4.348   7.311
  161    HE2  PHE   1           HE2      PHE   1   4.506   6.341   3.949
  162    HZ   PHE   1           HZ       PHE   1   3.930   4.271   5.097
  163    H    VAL   2           HN       VAL   2   5.490   7.846   7.362
  164    HA   VAL   2           HA       VAL   2   7.608   9.518   8.678
  165    HB   VAL   2           HB       VAL   2   9.046   7.460   8.782
  166   1HG1  VAL   2          HG11      VAL   2   7.748   8.109  10.780
  167   2HG1  VAL   2          HG13      VAL   2   6.390   7.131  10.251
  168   3HG1  VAL   2          HG12      VAL   2   7.902   6.368  10.690
  169   1HG2  VAL   2          HG21      VAL   2   6.525   5.880   8.016
  170   2HG2  VAL   2          HG23      VAL   2   8.008   5.965   7.065
  171   3HG2  VAL   2          HG22      VAL   2   8.016   5.204   8.618
  172    H    ASN   3           HN       ASN   3   7.063   7.167   6.135
  173    HA   ASN   3           HA       ASN   3   7.669   8.910   4.027
  174   1HB   ASN   3           HB2      ASN   3  10.013   8.483   5.183
  175   2HB   ASN   3           HB1      ASN   3   9.932   6.866   4.526
  176   1HD2  ASN   3          HD22      ASN   3  11.186   9.718   2.189
  177   2HD2  ASN   3          HD21      ASN   3  11.142   9.846   3.889
  178    H    GLN   4           HN       GLN   4   8.757   5.685   3.925
  179    HA   GLN   4           HA       GLN   4   6.423   4.633   2.493
  180   1HB   GLN   4           HB2      GLN   4   9.068   5.513   1.555
  181   2HB   GLN   4           HB1      GLN   4   8.197   4.302   0.646
  182   1HG   GLN   4           HG2      GLN   4   6.296   6.152   0.690
  183   2HG   GLN   4           HG1      GLN   4   7.548   7.241   1.217
  184   1HE2  GLN   4          HE22      GLN   4   9.092   7.756  -1.730
  185   2HE2  GLN   4          HE21      GLN   4   9.237   7.728  -0.014
  186    H    HIS   5           HN       HIS   5   6.864   2.697   1.870
  187    HA   HIS   5           HA       HIS   5   7.373   0.446   1.946
  188   1HB   HIS   5           HB2      HIS   5   9.411   1.250   3.972
  189   2HB   HIS   5           HB1      HIS   5   8.863  -0.452   3.853
  190    HD1  HIS   5           HD1      HIS   5  11.613   0.017   3.087
  191    HD2  HIS   5           HD2      HIS   5   8.484   0.354   0.532
  192    HE1  HIS   5           HE1      HIS   5  12.526  -0.349   0.726
  193    H    LEU   6           HN       LEU   6   5.664  -0.609   2.580
  194    HA   LEU   6           HA       LEU   6   4.699  -0.566   5.419
  195   1HB   LEU   6           HB2      LEU   6   3.087  -0.720   2.930
  196   2HB   LEU   6           HB1      LEU   6   2.540  -0.617   4.610
  197    HG   LEU   6           HG       LEU   6   3.980   1.623   4.627
  198   1HD1  LEU   6          HD11      LEU   6   4.819   1.273   2.206
  199   2HD1  LEU   6          HD13      LEU   6   3.155   1.305   1.711
  200   3HD1  LEU   6          HD12      LEU   6   3.889   2.730   2.392
  201   1HD2  LEU   6          HD22      LEU   6   1.325   1.293   3.168
  202   2HD2  LEU   6          HD21      LEU   6   1.495   1.384   4.911
  203   3HD2  LEU   6          HD23      LEU   6   1.895   2.779   3.913
  204    H    CYS   7           HN       CYS   7   5.993  -2.693   3.322
  205    HA   CYS   7           HA       CYS   7   5.082  -5.066   2.943
  206   1HB   CYS   7           HB2      CYS   7   7.545  -4.318   3.611
  207   2HB   CYS   7           HB1      CYS   7   7.181  -5.234   5.051
  208    H    GLY   8           HN       GLY   8   2.935  -5.188   3.979
  209   1HA   GLY   8           HA2      GLY   8   2.095  -7.315   5.300
  210   2HA   GLY   8           HA1      GLY   8   2.954  -6.584   6.651
  211    H    SER   9           HN       SER   9   1.217  -6.367   7.984
  212    HA   SER   9           HA       SER   9  -1.404  -5.505   7.527
  213   1HB   SER   9           HB2      SER   9   0.354  -4.562   9.885
  214   2HB   SER   9           HB1      SER   9  -1.411  -4.566   9.842
  215    HG   SER   9           HG1      SER   9  -1.292  -6.611  10.297
  216    H    HIS  10           HN       HIS  10   0.853  -3.109   8.808
  217    HA   HIS  10           HA       HIS  10  -0.236  -0.793   8.096
  218   1HB   HIS  10           HB2      HIS  10   2.233  -0.033   7.477
  219   2HB   HIS  10           HB1      HIS  10   1.867  -0.601   9.093
  220    HD1  HIS  10           HD1      HIS  10   4.635  -0.591   7.901
  221    HD2  HIS  10           HD2      HIS  10   2.353  -3.960   8.007
  222    HE1  HIS  10           HE1      HIS  10   6.201  -2.531   7.820
  223    H    LEU  11           HN       LEU  11   1.303  -2.780   5.611
  224    HA   LEU  11           HA       LEU  11   0.870  -0.861   3.444
  225   1HB   LEU  11           HB2      LEU  11   2.575  -2.785   3.487
  226   2HB   LEU  11           HB1      LEU  11   1.305  -3.928   3.318
  227    HG   LEU  11           HG       LEU  11   1.770  -1.707   1.374
  228   1HD1  LEU  11          HD13      LEU  11   3.069  -4.460   1.580
  229   2HD1  LEU  11          HD12      LEU  11   3.208  -3.455   0.149
  230   3HD1  LEU  11          HD11      LEU  11   3.917  -2.927   1.662
  231   1HD2  LEU  11          HD23      LEU  11   0.727  -4.597   1.125
  232   2HD2  LEU  11          HD22      LEU  11  -0.291  -3.174   1.139
  233   3HD2  LEU  11          HD21      LEU  11   0.825  -3.439  -0.187
  234    H    VAL  12           HN       VAL  12  -0.661  -3.916   4.005
  235    HA   VAL  12           HA       VAL  12  -2.810  -3.458   2.102
  236    HB   VAL  12           HB       VAL  12  -4.013  -5.342   3.229
  237   1HG1  VAL  12          HG12      VAL  12  -2.120  -5.858   1.699
  238   2HG1  VAL  12          HG11      VAL  12  -1.001  -5.802   3.048
  239   3HG1  VAL  12          HG13      VAL  12  -2.223  -7.058   2.977
  240   1HG2  VAL  12          HG22      VAL  12  -1.808  -5.239   5.326
  241   2HG2  VAL  12          HG21      VAL  12  -3.490  -4.848   5.635
  242   3HG2  VAL  12          HG23      VAL  12  -3.036  -6.479   5.206
  243    H    GLU  13           HN       GLU  13  -2.628  -3.054   5.515
  244    HA   GLU  13           HA       GLU  13  -5.118  -2.011   6.249
  245   1HB   GLU  13           HB2      GLU  13  -3.058  -2.976   7.398
  246   2HB   GLU  13           HB1      GLU  13  -2.303  -1.405   7.249
  247   1HG   GLU  13           HG2      GLU  13  -3.882  -0.529   8.878
  248   2HG   GLU  13           HG1      GLU  13  -4.822  -2.030   8.812
  249    H    ALA  14           HN       ALA  14  -2.153  -0.229   5.414
  250    HA   ALA  14           HA       ALA  14  -3.218   2.365   5.276
  251   1HB   ALA  14           HB1      ALA  14  -1.145   1.073   3.558
  252   2HB   ALA  14           HB3      ALA  14  -1.403   2.821   3.686
  253   3HB   ALA  14           HB2      ALA  14  -0.885   1.895   5.105
  254    H    LEU  15           HN       LEU  15  -2.716   0.425   2.212
  255    HA   LEU  15           HA       LEU  15  -4.415   2.362   0.958
  256   1HB   LEU  15           HB2      LEU  15  -4.824   0.075  -0.626
  257   2HB   LEU  15           HB1      LEU  15  -3.834   1.478  -0.917
  258    HG   LEU  15           HG       LEU  15  -1.890   0.456   0.002
  259   1HD1  LEU  15          HD13      LEU  15  -3.419  -1.058   1.635
  260   2HD1  LEU  15          HD12      LEU  15  -3.890  -1.901   0.226
  261   3HD1  LEU  15          HD11      LEU  15  -2.225  -1.951   0.764
  262   1HD2  LEU  15          HD23      LEU  15  -2.656   0.159  -2.360
  263   2HD2  LEU  15          HD22      LEU  15  -1.814  -1.260  -1.787
  264   3HD2  LEU  15          HD21      LEU  15  -3.556  -1.254  -1.889
  265    OH   TYR  16           OH       TYR  16 -12.553  -2.726   4.426
  266    H    TYR  16           HN       TYR  16  -5.207  -0.202   3.005
  267    HA   TYR  16           HA       TYR  16  -7.782  -0.703   1.993
  268   1HB   TYR  16           HB2      TYR  16  -6.614  -2.326   3.553
  269   2HB   TYR  16           HB1      TYR  16  -6.743  -1.149   4.874
  270    HD1  TYR  16           HD1      TYR  16  -8.947  -0.315   5.539
  271    HD2  TYR  16           HD2      TYR  16  -8.442  -3.448   2.720
  272    HE1  TYR  16           HE1      TYR  16 -11.248  -0.803   5.728
  273    HE2  TYR  16           HE2      TYR  16 -10.774  -3.978   2.898
  274    HH   TYR  16           HH       TYR  16 -12.897  -1.836   4.216
  275    H    LEU  17           HN       LEU  17  -6.520   1.408   4.372
  276    HA   LEU  17           HA       LEU  17  -9.108   2.657   5.001
  277   1HB   LEU  17           HB2      LEU  17  -7.730   4.151   6.492
  278   2HB   LEU  17           HB1      LEU  17  -7.668   2.409   6.813
  279    HG   LEU  17           HG       LEU  17  -5.766   2.486   5.278
  280   1HD1  LEU  17          HD12      LEU  17  -5.805   5.002   4.813
  281   2HD1  LEU  17          HD11      LEU  17  -5.650   5.300   6.523
  282   3HD1  LEU  17          HD13      LEU  17  -4.309   4.603   5.635
  283   1HD2  LEU  17          HD21      LEU  17  -5.600   3.403   8.175
  284   2HD2  LEU  17          HD23      LEU  17  -5.600   1.746   7.589
  285   3HD2  LEU  17          HD22      LEU  17  -4.212   2.769   7.311
  286    H    VAL  18           HN       VAL  18  -6.255   3.442   3.197
  287    HA   VAL  18           HA       VAL  18  -7.043   6.106   2.486
  288    HB   VAL  18           HB       VAL  18  -5.151   4.214   1.027
  289   1HG1  VAL  18          HG12      VAL  18  -5.505   7.228   0.692
  290   2HG1  VAL  18          HG11      VAL  18  -4.268   6.264  -0.097
  291   3HG1  VAL  18          HG13      VAL  18  -5.951   6.027  -0.501
  292   1HG2  VAL  18          HG22      VAL  18  -4.598   6.557   2.907
  293   2HG2  VAL  18          HG21      VAL  18  -4.354   4.865   3.302
  294   3HG2  VAL  18          HG23      VAL  18  -3.372   5.625   2.072
  295    H    CYS  19           HN       CYS  19  -7.216   3.047   0.947
  296    HA   CYS  19           HA       CYS  19  -9.541   3.768  -0.745
  297   1HB   CYS  19           HB2      CYS  19  -7.773   4.282  -2.089
  298   2HB   CYS  19           HB1      CYS  19  -6.799   2.967  -1.522
  299    H    GLY  20           HN       GLY  20  -9.000   1.647   1.449
  300   1HA   GLY  20           HA2      GLY  20  -9.598  -1.025   0.377
  301   2HA   GLY  20           HA1      GLY  20 -10.021  -0.532   2.036
  302    H    GLU  21           HN       GLU  21 -11.329   1.395   1.908
  303    HA   GLU  21           HA       GLU  21 -13.974   0.829   1.380
  304   1HB   GLU  21           HB2      GLU  21 -12.260   3.128   2.244
  305   2HB   GLU  21           HB1      GLU  21 -13.882   3.593   1.795
  306   1HG   GLU  21           HG2      GLU  21 -13.740   3.048   4.232
  307   2HG   GLU  21           HG1      GLU  21 -14.716   1.812   3.474
  308    NH1  ARG  22           NH2      ARG  22  -7.312   3.976  -5.926
  309    NH2  ARG  22           NH1      ARG  22  -8.417   5.550  -6.915
  310    H    ARG  22           HN       ARG  22 -12.016   1.087  -1.068
  311    HA   ARG  22           HA       ARG  22 -13.842   2.375  -3.060
  312   1HB   ARG  22           HB2      ARG  22 -11.742   3.678  -2.694
  313   2HB   ARG  22           HB1      ARG  22 -10.766   2.254  -2.906
  314   1HG   ARG  22           HG2      ARG  22 -11.226   2.118  -5.296
  315   2HG   ARG  22           HG1      ARG  22 -12.391   3.417  -5.190
  316   1HD   ARG  22           HD2      ARG  22 -10.756   5.100  -4.967
  317   2HD   ARG  22           HD1      ARG  22  -9.691   4.091  -4.024
  318    HE   ARG  22           HE       ARG  22  -9.674   3.173  -6.841
  319   1HH1  ARG  22          HH21      ARG  22  -7.301   3.103  -5.461
  320   2HH1  ARG  22          HH22      ARG  22  -6.455   4.471  -6.074
  321   1HH2  ARG  22          HH11      ARG  22  -9.264   5.912  -7.249
  322   2HH2  ARG  22          HH12      ARG  22  -7.552   6.046  -7.027
  323    H    GLY  23           HN       GLY  23 -11.251  -0.138  -2.819
  324   1HA   GLY  23           HA2      GLY  23 -13.011  -2.110  -4.254
  325   2HA   GLY  23           HA1      GLY  23 -11.430  -1.782  -4.981
  326    H    PHE  24           HN       PHE  24  -9.738  -2.227  -3.923
  327    HA   PHE  24           HA       PHE  24  -8.223  -2.852  -2.300
  328   1HB   PHE  24           HB2      PHE  24 -10.306  -2.999  -0.664
  329   2HB   PHE  24           HB1      PHE  24 -10.101  -4.743  -0.882
  330    HD1  PHE  24           HD2      PHE  24  -7.971  -1.613  -0.572
  331    HD2  PHE  24           HD1      PHE  24  -8.435  -5.734   0.425
  332    HE1  PHE  24           HE2      PHE  24  -5.909  -1.553   0.643
  333    HE2  PHE  24           HE1      PHE  24  -6.328  -5.662   1.650
  334    HZ   PHE  24           HZ       PHE  24  -5.082  -3.532   1.724
  335    OH   TYR  25           OH       TYR  25  -1.665  -3.462  -0.666
  336    H    TYR  25           HN       TYR  25  -7.241  -3.664  -3.771
  337    HA   TYR  25           HA       TYR  25  -6.931  -5.813  -5.390
  338   1HB   TYR  25           HB2      TYR  25  -4.736  -4.891  -5.726
  339   2HB   TYR  25           HB1      TYR  25  -5.759  -3.560  -5.265
  340    HD1  TYR  25           HD1      TYR  25  -5.837  -4.120  -2.165
  341    HD2  TYR  25           HD2      TYR  25  -2.642  -4.070  -4.993
  342    HE1  TYR  25           HE1      TYR  25  -4.210  -3.704  -0.368
  343    HE2  TYR  25           HE2      TYR  25  -1.072  -3.614  -3.090
  344    HH   TYR  25           HH       TYR  25  -0.906  -3.027  -1.068
  345    H    THR  26           HN       THR  26  -6.344  -5.824  -2.153
  346    HA   THR  26           HA       THR  26  -5.211  -7.226  -0.616
  347    HB   THR  26           HB       THR  26  -7.010  -9.044  -1.946
  348    HG1  THR  26           HG1      THR  26  -8.144  -7.168  -1.600
  349   1HG2  THR  26          HG22      THR  26  -6.454  -8.151   0.895
  350   2HG2  THR  26          HG21      THR  26  -7.541  -9.446   0.411
  351   3HG2  THR  26          HG23      THR  26  -5.779  -9.656   0.257
  352    HA   PRO  27           HA       PRO  27  -2.363  -9.111  -3.780
  353   1HB   PRO  27           HB2      PRO  27  -0.094  -7.753  -3.358
  354   2HB   PRO  27           HB1      PRO  27  -1.531  -6.915  -3.955
  355   1HG   PRO  27           HG2      PRO  27  -0.707  -7.198  -0.971
  356   2HG   PRO  27           HG1      PRO  27  -0.886  -5.698  -1.856
  357   1HD   PRO  27           HD2      PRO  27  -3.019  -6.693  -0.501
  358   2HD   PRO  27           HD1      PRO  27  -3.277  -6.023  -2.126
  359    H    LYS  28           HN       LYS  28   0.098  -9.878  -3.580
  360    HA   LYS  28           HA       LYS  28   0.520 -11.555  -1.288
  361   1HB   LYS  28           HB2      LYS  28   1.049 -12.283  -4.255
  362   2HB   LYS  28           HB1      LYS  28   1.127 -13.399  -2.917
  363   1HG   LYS  28           HG2      LYS  28  -1.426 -11.997  -3.921
  364   2HG   LYS  28           HG1      LYS  28  -0.990 -13.665  -4.223
  365   1HD   LYS  28           HD2      LYS  28  -1.035 -14.212  -1.862
  366   2HD   LYS  28           HD1      LYS  28  -1.233 -12.555  -1.395
  367   1HE   LYS  28           HE2      LYS  28  -3.381 -13.527  -3.211
  368   2HE   LYS  28           HE1      LYS  28  -3.335 -14.330  -1.645
  369   1HZ   LYS  28           HZ1      LYS  28  -2.874 -11.565  -1.207
  370   2HZ   LYS  28           HZ3      LYS  28  -4.179 -11.620  -2.199
  371   3HZ   LYS  28           HZ2      LYS  28  -4.220 -12.416  -0.726
  372    H    THR  29           HN       THR  29   2.409 -10.923  -4.219
  373    HA   THR  29           HA       THR  29   4.377  -9.525  -2.671
  374    HB   THR  29           HB       THR  29   6.222 -10.609  -4.131
  375    HG1  THR  29           HG1      THR  29   4.156 -11.328  -5.311
  376   1HG2  THR  29          HG21      THR  29   4.653 -12.473  -2.366
  377   2HG2  THR  29          HG23      THR  29   6.345 -12.624  -2.875
  378   3HG2  THR  29          HG22      THR  29   5.857 -11.306  -1.822
   
  Start of MODEL          12
 Raw file had  378 H/Q atoms
  Start of MODEL   12
    1   1H    GLY   1           HT2      GLY   1   4.453   0.311  -7.277
    2   2H    GLY   1           HT1      GLY   1   5.687  -0.177  -8.277
    3   3H    GLY   1           HT3      GLY   1   4.119  -0.011  -8.879
    4   1HA   GLY   1           HA1      GLY   1   3.771  -2.257  -8.445
    5   2HA   GLY   1           HA2      GLY   1   5.379  -2.292  -7.732
    6    H    ILE   2           HN       ILE   2   2.032  -1.348  -6.866
    7    HA   ILE   2           HA       ILE   2   1.858  -0.805  -4.388
    8    HB   ILE   2           HB       ILE   2   0.048  -1.838  -5.796
    9   1HG1  ILE   2          HG12      ILE   2  -0.592  -1.754  -3.372
   10   2HG1  ILE   2          HG11      ILE   2  -1.498  -2.877  -4.345
   11   1HG2  ILE   2          HG22      ILE   2   1.114  -3.608  -6.882
   12   2HG2  ILE   2          HG21      ILE   2   1.182  -4.592  -5.471
   13   3HG2  ILE   2          HG23      ILE   2  -0.362  -4.189  -6.150
   14   1HD1  ILE   2           HD1      ILE   2  -0.037  -4.740  -3.369
   15   2HD1  ILE   2           HD3      ILE   2   0.675  -3.534  -2.297
   16   3HD1  ILE   2           HD2      ILE   2  -1.021  -3.885  -2.197
   17    H    VAL   3           HN       VAL   3   1.998  -4.223  -4.093
   18    HA   VAL   3           HA       VAL   3   3.004  -3.911  -1.422
   19    HB   VAL   3           HB       VAL   3   1.639  -5.842  -1.940
   20   1HG1  VAL   3          HG11      VAL   3   2.238  -5.993  -4.428
   21   2HG1  VAL   3          HG13      VAL   3   3.740  -6.745  -3.978
   22   3HG1  VAL   3          HG12      VAL   3   2.215  -7.514  -3.629
   23   1HG2  VAL   3          HG22      VAL   3   3.577  -6.275  -0.347
   24   2HG2  VAL   3          HG21      VAL   3   3.134  -7.708  -1.242
   25   3HG2  VAL   3          HG23      VAL   3   4.523  -6.777  -1.730
   26    H    GLU   4           HN       GLU   4   4.676  -5.143  -4.332
   27    HA   GLU   4           HA       GLU   4   7.192  -5.495  -3.347
   28   1HB   GLU   4           HB2      GLU   4   6.899  -3.776  -5.874
   29   2HB   GLU   4           HB1      GLU   4   7.932  -5.169  -5.634
   30   1HG   GLU   4           HG2      GLU   4   6.322  -6.189  -7.014
   31   2HG   GLU   4           HG1      GLU   4   5.505  -6.465  -5.511
   32    H    GLN   5           HN       GLN   5   5.673  -2.395  -4.028
   33    HA   GLN   5           HA       GLN   5   7.836  -0.703  -3.426
   34   1HB   GLN   5           HB2      GLN   5   4.875  -0.206  -3.275
   35   2HB   GLN   5           HB1      GLN   5   6.099   1.018  -3.297
   36   1HG   GLN   5           HG2      GLN   5   6.313  -0.981  -5.503
   37   2HG   GLN   5           HG1      GLN   5   4.841  -0.007  -5.460
   38   1HE2  GLN   5          HE22      GLN   5   7.692   2.603  -5.783
   39   2HE2  GLN   5          HE21      GLN   5   7.335   1.896  -4.283
   40    H    CYS   6           HN       CYS   6   4.870  -1.132  -1.618
   41    HA   CYS   6           HA       CYS   6   5.764   0.037   0.779
   42   1HB   CYS   6           HB2      CYS   6   3.675  -2.125   0.272
   43   2HB   CYS   6           HB1      CYS   6   3.726  -1.108   1.696
   44    H    CYS   7           HN       CYS   7   6.084  -3.457  -0.022
   45    HA   CYS   7           HA       CYS   7   7.191  -4.011   2.529
   46   1HB   CYS   7           HB2      CYS   7   5.878  -5.588   1.165
   47   2HB   CYS   7           HB1      CYS   7   7.162  -5.677  -0.011
   48    H    THR   8           HN       THR   8   8.571  -3.346  -0.636
   49    HA   THR   8           HA       THR   8  11.303  -3.193   0.651
   50    HB   THR   8           HB       THR   8  10.728  -4.409  -2.097
   51    HG1  THR   8           HG1      THR   8  10.846  -5.220   0.442
   52   1HG2  THR   8          HG23      THR   8  13.290  -4.093  -0.419
   53   2HG2  THR   8          HG22      THR   8  13.180  -4.840  -2.003
   54   3HG2  THR   8          HG21      THR   8  13.029  -3.097  -1.837
   55    H    SER   9           HN       SER   9   9.624  -1.897  -2.227
   56    HA   SER   9           HA       SER   9  11.655   0.187  -2.228
   57   1HB   SER   9           HB2      SER   9   9.552  -0.138  -4.346
   58   2HB   SER   9           HB1      SER   9  10.974   0.898  -4.366
   59    HG   SER   9           HG1      SER   9  11.734  -1.637  -3.695
   60    H    ILE  10           HN       ILE  10  10.232   0.573  -0.248
   61    HA   ILE  10           HA       ILE  10   8.842   1.989   0.955
   62    HB   ILE  10           HB       ILE  10  10.318   3.208  -1.067
   63   1HG1  ILE  10          HG12      ILE  10  11.016   4.713   0.732
   64   2HG1  ILE  10          HG11      ILE  10   9.858   3.912   1.790
   65   1HG2  ILE  10          HG22      ILE  10   7.996   4.825  -0.030
   66   2HG2  ILE  10          HG21      ILE  10   9.387   5.487  -0.903
   67   3HG2  ILE  10          HG23      ILE  10   8.311   4.342  -1.695
   68   1HD1  ILE  10           HD3      ILE  10  12.131   2.477   0.299
   69   2HD1  ILE  10           HD2      ILE  10  12.124   2.852   2.017
   70   3HD1  ILE  10           HD1      ILE  10  10.958   1.748   1.365
   71    H    CYS  11           HN       CYS  11   6.816   2.634   1.376
   72    HA   CYS  11           HA       CYS  11   4.793   2.014  -0.704
   73   1HB   CYS  11           HB2      CYS  11   4.848   1.464   1.816
   74   2HB   CYS  11           HB1      CYS  11   4.224   3.044   2.083
   75    H    SER  12           HN       SER  12   3.377   4.486   1.054
   76    HA   SER  12           HA       SER  12   3.701   6.928   0.773
   77   1HB   SER  12           HB2      SER  12   5.352   6.871  -1.121
   78   2HB   SER  12           HB1      SER  12   4.067   6.352  -2.200
   79    HG   SER  12           HG1      SER  12   4.559   8.832  -1.383
   80    H    LEU  13           HN       LEU  13   2.204   8.323   0.075
   81    HA   LEU  13           HA       LEU  13  -0.498   7.537  -0.010
   82   1HB   LEU  13           HB2      LEU  13   0.655  10.161  -1.129
   83   2HB   LEU  13           HB1      LEU  13  -1.004   9.892  -0.717
   84    HG   LEU  13           HG       LEU  13   1.301   9.880   1.345
   85   1HD1  LEU  13          HD13      LEU  13  -0.944  11.846   0.757
   86   2HD1  LEU  13          HD12      LEU  13   0.246  11.995   2.040
   87   3HD1  LEU  13          HD11      LEU  13   0.741  12.101   0.362
   88   1HD2  LEU  13          HD21      LEU  13  -1.744   9.778   1.648
   89   2HD2  LEU  13          HD23      LEU  13  -0.697   8.406   1.944
   90   3HD2  LEU  13          HD22      LEU  13  -0.585   9.824   2.966
   91    OH   TYR  14           OH       TYR  14   2.710   6.162 -10.133
   92    H    TYR  14           HN       TYR  14   1.433   8.931  -2.538
   93    HA   TYR  14           HA       TYR  14  -0.060   8.433  -4.844
   94   1HB   TYR  14           HB2      TYR  14   2.032   9.644  -5.127
   95   2HB   TYR  14           HB1      TYR  14   2.991   8.355  -4.401
   96    HD1  TYR  14           HD1      TYR  14   0.644   8.974  -7.258
   97    HD2  TYR  14           HD2      TYR  14   3.998   6.770  -5.853
   98    HE1  TYR  14           HE1      TYR  14   0.913   7.907  -9.487
   99    HE2  TYR  14           HE2      TYR  14   4.228   5.728  -8.086
  100    HH   TYR  14           HH       TYR  14   2.500   5.233  -9.986
  101    H    GLN  15           HN       GLN  15   2.046   6.286  -3.167
  102    HA   GLN  15           HA       GLN  15   1.889   3.993  -4.869
  103   1HB   GLN  15           HB2      GLN  15   3.236   4.495  -2.545
  104   2HB   GLN  15           HB1      GLN  15   1.902   3.634  -1.823
  105   1HG   GLN  15           HG2      GLN  15   3.534   1.928  -2.228
  106   2HG   GLN  15           HG1      GLN  15   2.380   1.719  -3.510
  107   1HE2  GLN  15          HE22      GLN  15   5.939   3.384  -4.477
  108   2HE2  GLN  15          HE21      GLN  15   5.357   3.662  -2.913
  109    H    LEU  16           HN       LEU  16   0.135   4.313  -1.792
  110    HA   LEU  16           HA       LEU  16  -1.842   2.521  -2.157
  111   1HB   LEU  16           HB2      LEU  16  -1.981   5.405  -1.000
  112   2HB   LEU  16           HB1      LEU  16  -3.172   4.199  -0.591
  113    HG   LEU  16           HG       LEU  16  -0.257   3.415  -0.151
  114   1HD1  LEU  16          HD12      LEU  16  -1.842   5.213   1.746
  115   2HD1  LEU  16          HD11      LEU  16  -0.271   4.499   2.064
  116   3HD1  LEU  16          HD13      LEU  16  -0.443   5.727   0.826
  117   1HD2  LEU  16          HD21      LEU  16  -2.233   2.021   0.248
  118   2HD2  LEU  16          HD23      LEU  16  -1.293   2.261   1.710
  119   3HD2  LEU  16          HD22      LEU  16  -2.807   3.124   1.472
  120    H    GLU  17           HN       GLU  17  -2.122   5.818  -3.378
  121    HA   GLU  17           HA       GLU  17  -4.616   5.562  -4.602
  122   1HB   GLU  17           HB2      GLU  17  -2.168   7.306  -5.302
  123   2HB   GLU  17           HB1      GLU  17  -3.783   7.648  -5.895
  124   1HG   GLU  17           HG2      GLU  17  -4.605   8.058  -3.600
  125   2HG   GLU  17           HG1      GLU  17  -3.096   7.525  -2.900
  126    H    ASN  18           HN       ASN  18  -1.500   5.301  -6.164
  127    HA   ASN  18           HA       ASN  18  -2.426   4.415  -8.744
  128   1HB   ASN  18           HB2      ASN  18  -0.160   5.438  -8.343
  129   2HB   ASN  18           HB1      ASN  18   0.257   4.137  -7.266
  130   1HD2  ASN  18          HD22      ASN  18   0.151   2.450 -10.832
  131   2HD2  ASN  18          HD21      ASN  18  -1.290   2.747  -9.978
  132    OH   TYR  19           OH       TYR  19   2.994   1.342  -9.201
  133    H    TYR  19           HN       TYR  19  -2.007   2.928  -5.804
  134    HA   TYR  19           HA       TYR  19  -2.582   0.193  -6.798
  135   1HB   TYR  19           HB2      TYR  19  -0.854   1.074  -4.426
  136   2HB   TYR  19           HB1      TYR  19  -1.113  -0.568  -4.968
  137    HD1  TYR  19           HD1      TYR  19  -0.694  -0.757  -7.709
  138    HD2  TYR  19           HD2      TYR  19   1.166   2.104  -5.195
  139    HE1  TYR  19           HE1      TYR  19   0.997  -0.352  -9.399
  140    HE2  TYR  19           HE2      TYR  19   2.818   2.519  -6.882
  141    HH   TYR  19           HH       TYR  19   2.756   2.252  -9.475
  142    H    CYS  20           HN       CYS  20  -4.537   1.876  -6.320
  143    HA   CYS  20           HA       CYS  20  -5.843   1.141  -3.739
  144   1HB   CYS  20           HB2      CYS  20  -5.772   3.509  -4.598
  145   2HB   CYS  20           HB1      CYS  20  -6.562   3.010  -6.056
  146    H    ASN  21           HN       ASN  21  -8.466   1.152  -5.057
  147    HA   ASN  21           HA       ASN  21  -9.847  -0.709  -5.638
  148   1HB   ASN  21           HB2      ASN  21  -9.712  -0.604  -8.282
  149   2HB   ASN  21           HB1      ASN  21 -10.199   0.847  -7.423
  150   1HD2  ASN  21          HD22      ASN  21  -6.340   0.974  -8.635
  151   2HD2  ASN  21          HD21      ASN  21  -6.879  -0.422  -7.794
  152   1H    PHE   1           HT3      PHE   1   7.532  13.267  -0.299
  153   2H    PHE   1           HT2      PHE   1   6.528  14.166   0.709
  154   3H    PHE   1           HT1      PHE   1   8.198  14.480   0.678
  155    HA   PHE   1           HA       PHE   1   8.548  12.926   2.302
  156   1HB   PHE   1           HB2      PHE   1   6.511  11.990   3.488
  157   2HB   PHE   1           HB1      PHE   1   5.991  13.568   2.936
  158    HD1  PHE   1           HD1      PHE   1   4.594  13.747   0.790
  159    HD2  PHE   1           HD2      PHE   1   5.710   9.997   2.516
  160    HE1  PHE   1           HE1      PHE   1   2.966  12.581  -0.616
  161    HE2  PHE   1           HE2      PHE   1   4.089   8.873   1.114
  162    HZ   PHE   1           HZ       PHE   1   2.710  10.175  -0.466
  163    H    VAL   2           HN       VAL   2   8.151  10.227   2.601
  164    HA   VAL   2           HA       VAL   2   8.066   9.089  -0.182
  165    HB   VAL   2           HB       VAL   2   9.930   7.588   0.471
  166   1HG1  VAL   2          HG13      VAL   2  10.379   9.609  -0.858
  167   2HG1  VAL   2          HG12      VAL   2  10.590  10.570   0.596
  168   3HG1  VAL   2          HG11      VAL   2  11.728   9.298   0.211
  169   1HG2  VAL   2          HG22      VAL   2  10.333   9.428   2.902
  170   2HG2  VAL   2          HG21      VAL   2   9.992   7.695   2.968
  171   3HG2  VAL   2          HG23      VAL   2  11.479   8.258   2.302
  172    H    ASN   3           HN       ASN   3   8.314   8.007   3.080
  173    HA   ASN   3           HA       ASN   3   6.541   6.991   4.397
  174   1HB   ASN   3           HB2      ASN   3   5.300   6.693   2.212
  175   2HB   ASN   3           HB1      ASN   3   6.237   5.221   1.939
  176   1HD2  ASN   3          HD22      ASN   3   2.825   4.807   3.678
  177   2HD2  ASN   3          HD21      ASN   3   3.202   5.932   2.446
  178    H    GLN   4           HN       GLN   4   6.570   4.399   4.970
  179    HA   GLN   4           HA       GLN   4   9.414   3.501   5.010
  180   1HB   GLN   4           HB2      GLN   4   7.158   3.055   7.032
  181   2HB   GLN   4           HB1      GLN   4   8.844   2.589   7.260
  182   1HG   GLN   4           HG2      GLN   4   9.584   4.930   7.385
  183   2HG   GLN   4           HG1      GLN   4   8.012   5.524   6.917
  184   1HE2  GLN   4          HE22      GLN   4   7.236   4.094  10.425
  185   2HE2  GLN   4          HE21      GLN   4   7.156   3.127   9.021
  186    H    HIS   5           HN       HIS   5   8.293   0.994   6.272
  187    HA   HIS   5           HA       HIS   5   7.372  -0.189   3.837
  188   1HB   HIS   5           HB2      HIS   5   9.154  -1.456   5.923
  189   2HB   HIS   5           HB1      HIS   5   8.451  -2.337   4.560
  190    HD1  HIS   5           HD1      HIS   5   8.834  -1.251   2.306
  191    HD2  HIS   5           HD2      HIS   5  11.401  -0.137   5.219
  192    HE1  HIS   5           HE1      HIS   5  10.851  -0.310   1.155
  193    H    LEU   6           HN       LEU   6   5.979  -1.723   3.671
  194    HA   LEU   6           HA       LEU   6   4.362  -2.852   5.887
  195   1HB   LEU   6           HB2      LEU   6   2.951  -1.639   3.500
  196   2HB   LEU   6           HB1      LEU   6   2.342  -2.042   5.081
  197    HG   LEU   6           HG       LEU   6   3.923  -0.187   5.972
  198   1HD1  LEU   6          HD11      LEU   6   4.993   0.276   3.716
  199   2HD1  LEU   6          HD13      LEU   6   3.391   0.645   3.132
  200   3HD1  LEU   6          HD12      LEU   6   4.138   1.665   4.348
  201   1HD2  LEU   6          HD21      LEU   6   1.389   0.407   4.434
  202   2HD2  LEU   6          HD23      LEU   6   1.489  -0.106   6.115
  203   3HD2  LEU   6          HD22      LEU   6   2.120   1.448   5.647
  204    H    CYS   7           HN       CYS   7   4.020  -5.027   5.441
  205    HA   CYS   7           HA       CYS   7   4.264  -5.906   2.696
  206   1HB   CYS   7           HB2      CYS   7   6.307  -6.280   4.320
  207   2HB   CYS   7           HB1      CYS   7   5.360  -7.619   4.937
  208    H    GLY   8           HN       GLY   8   3.219  -6.984   5.846
  209   1HA   GLY   8           HA2      GLY   8   0.956  -8.571   4.606
  210   2HA   GLY   8           HA1      GLY   8   1.613  -8.903   6.210
  211    H    SER   9           HN       SER   9   0.577  -7.889   7.939
  212    HA   SER   9           HA       SER   9  -1.935  -6.649   7.786
  213   1HB   SER   9           HB2      SER   9  -1.253  -5.483  10.040
  214   2HB   SER   9           HB1      SER   9  -1.173  -7.244  10.043
  215    HG   SER   9           HG1      SER   9   0.772  -5.727  10.622
  216    H    HIS  10           HN       HIS  10   0.598  -4.713   8.858
  217    HA   HIS  10           HA       HIS  10  -0.089  -2.156   8.523
  218   1HB   HIS  10           HB2      HIS  10   2.318  -3.305   8.986
  219   2HB   HIS  10           HB1      HIS  10   2.629  -2.911   7.298
  220    HD1  HIS  10           HD1      HIS  10   4.258  -0.904   7.823
  221    HD2  HIS  10           HD2      HIS  10   0.615  -0.602   9.680
  222    HE1  HIS  10           HE1      HIS  10   4.147   1.358   8.797
  223    H    LEU  11           HN       LEU  11   0.926  -4.074   5.877
  224    HA   LEU  11           HA       LEU  11   0.622  -2.074   3.792
  225   1HB   LEU  11           HB2      LEU  11   2.128  -4.139   3.723
  226   2HB   LEU  11           HB1      LEU  11   0.726  -5.148   3.535
  227    HG   LEU  11           HG       LEU  11   1.416  -2.855   1.722
  228   1HD1  LEU  11          HD13      LEU  11   2.049  -5.814   1.424
  229   2HD1  LEU  11          HD12      LEU  11   2.209  -4.618   0.166
  230   3HD1  LEU  11          HD11      LEU  11   3.199  -4.506   1.578
  231   1HD2  LEU  11          HD21      LEU  11  -0.213  -5.474   1.323
  232   2HD2  LEU  11          HD23      LEU  11  -1.013  -3.941   1.515
  233   3HD2  LEU  11          HD22      LEU  11  -0.042  -4.226   0.100
  234    H    VAL  12           HN       VAL  12  -1.237  -5.028   4.239
  235    HA   VAL  12           HA       VAL  12  -3.314  -4.247   2.417
  236    HB   VAL  12           HB       VAL  12  -2.905  -6.601   3.659
  237   1HG1  VAL  12          HG12      VAL  12  -3.133  -5.833   5.992
  238   2HG1  VAL  12          HG11      VAL  12  -4.800  -5.377   5.695
  239   3HG1  VAL  12          HG13      VAL  12  -4.320  -7.057   5.606
  240   1HG2  VAL  12          HG21      VAL  12  -5.715  -5.489   3.336
  241   2HG2  VAL  12          HG23      VAL  12  -4.776  -6.232   2.061
  242   3HG2  VAL  12          HG22      VAL  12  -5.344  -7.199   3.412
  243    H    GLU  13           HN       GLU  13  -2.940  -3.749   5.771
  244    HA   GLU  13           HA       GLU  13  -5.239  -2.398   6.601
  245   1HB   GLU  13           HB2      GLU  13  -3.311  -3.512   7.755
  246   2HB   GLU  13           HB1      GLU  13  -2.275  -2.192   7.296
  247   1HG   GLU  13           HG2      GLU  13  -3.510  -0.713   8.805
  248   2HG   GLU  13           HG1      GLU  13  -4.546  -2.082   9.260
  249    H    ALA  14           HN       ALA  14  -2.177  -0.784   5.806
  250    HA   ALA  14           HA       ALA  14  -2.970   1.831   5.498
  251   1HB   ALA  14           HB2      ALA  14  -0.690   1.005   5.176
  252   2HB   ALA  14           HB1      ALA  14  -1.192   0.282   3.643
  253   3HB   ALA  14           HB3      ALA  14  -1.204   2.035   3.813
  254    H    LEU  15           HN       LEU  15  -2.793  -0.391   2.843
  255    HA   LEU  15           HA       LEU  15  -3.970   1.136   0.822
  256   1HB   LEU  15           HB2      LEU  15  -3.413  -1.748   1.537
  257   2HB   LEU  15           HB1      LEU  15  -4.203  -1.399   0.038
  258    HG   LEU  15           HG       LEU  15  -1.664   0.250   0.782
  259   1HD1  LEU  15          HD11      LEU  15  -1.594  -2.486  -0.478
  260   2HD1  LEU  15          HD13      LEU  15  -0.259  -1.351  -0.314
  261   3HD1  LEU  15          HD12      LEU  15  -1.010  -2.011   1.112
  262   1HD2  LEU  15          HD22      LEU  15  -3.012   0.813  -1.257
  263   2HD2  LEU  15          HD21      LEU  15  -1.346   0.374  -1.582
  264   3HD2  LEU  15          HD23      LEU  15  -2.627  -0.763  -1.901
  265    OH   TYR  16           OH       TYR  16  -8.331  -7.260   4.139
  266    H    TYR  16           HN       TYR  16  -5.460  -1.263   2.786
  267    HA   TYR  16           HA       TYR  16  -8.004  -1.145   2.101
  268   1HB   TYR  16           HB2      TYR  16  -6.510  -1.635   4.604
  269   2HB   TYR  16           HB1      TYR  16  -8.156  -1.327   4.975
  270    HD1  TYR  16           HD2      TYR  16  -8.304  -3.256   2.018
  271    HD2  TYR  16           HD1      TYR  16  -7.233  -3.385   6.120
  272    HE1  TYR  16           HE2      TYR  16  -8.651  -5.644   2.047
  273    HE2  TYR  16           HE1      TYR  16  -7.573  -5.773   6.168
  274    HH   TYR  16           HH       TYR  16  -8.724  -7.494   3.299
  275    H    LEU  17           HN       LEU  17  -6.756   0.782   4.525
  276    HA   LEU  17           HA       LEU  17  -9.247   2.344   4.965
  277   1HB   LEU  17           HB2      LEU  17  -6.629   3.259   6.063
  278   2HB   LEU  17           HB1      LEU  17  -8.224   3.324   6.808
  279    HG   LEU  17           HG       LEU  17  -6.558   1.064   6.158
  280   1HD1  LEU  17          HD11      LEU  17  -7.053   2.390   8.877
  281   2HD1  LEU  17          HD13      LEU  17  -6.164   0.881   8.725
  282   3HD1  LEU  17          HD12      LEU  17  -5.533   2.341   7.999
  283   1HD2  LEU  17          HD23      LEU  17  -8.968   0.363   6.392
  284   2HD2  LEU  17          HD22      LEU  17  -8.117  -0.265   7.790
  285   3HD2  LEU  17          HD21      LEU  17  -9.077   1.197   7.932
  286    H    VAL  18           HN       VAL  18  -6.020   3.010   3.680
  287    HA   VAL  18           HA       VAL  18  -6.682   5.646   3.504
  288    HB   VAL  18           HB       VAL  18  -4.595   4.037   1.933
  289   1HG1  VAL  18          HG13      VAL  18  -4.855   7.103   2.057
  290   2HG1  VAL  18          HG12      VAL  18  -3.532   6.258   1.292
  291   3HG1  VAL  18          HG11      VAL  18  -5.134   6.148   0.619
  292   1HG2  VAL  18          HG22      VAL  18  -4.238   4.343   4.413
  293   2HG2  VAL  18          HG21      VAL  18  -2.998   5.181   3.504
  294   3HG2  VAL  18          HG23      VAL  18  -4.326   6.083   4.204
  295    H    CYS  19           HN       CYS  19  -6.682   3.097   1.221
  296    HA   CYS  19           HA       CYS  19  -8.788   4.279  -0.564
  297   1HB   CYS  19           HB2      CYS  19  -6.101   4.374  -1.092
  298   2HB   CYS  19           HB1      CYS  19  -6.568   2.876  -1.819
  299    H    GLY  20           HN       GLY  20  -8.821   1.955   1.382
  300   1HA   GLY  20           HA2      GLY  20  -8.910  -0.290  -0.567
  301   2HA   GLY  20           HA1      GLY  20  -9.350  -0.466   1.123
  302    H    GLU  21           HN       GLU  21 -11.088   0.705   1.807
  303    HA   GLU  21           HA       GLU  21 -13.551  -0.094   1.509
  304   1HB   GLU  21           HB2      GLU  21 -13.017   1.996   2.651
  305   2HB   GLU  21           HB1      GLU  21 -12.619   2.806   1.176
  306   1HG   GLU  21           HG2      GLU  21 -15.368   1.855   0.837
  307   2HG   GLU  21           HG1      GLU  21 -15.259   2.546   2.440
  308    NH1  ARG  22           NH1      ARG  22 -11.367   1.182  -5.321
  309    NH2  ARG  22           NH2      ARG  22  -9.858   0.682  -3.796
  310    H    ARG  22           HN       ARG  22 -13.295   2.428  -0.908
  311    HA   ARG  22           HA       ARG  22 -15.121   1.603  -2.723
  312   1HB   ARG  22           HB2      ARG  22 -13.123   2.674  -4.441
  313   2HB   ARG  22           HB1      ARG  22 -14.300   3.554  -3.499
  314   1HG   ARG  22           HG2      ARG  22 -12.168   4.602  -3.268
  315   2HG   ARG  22           HG1      ARG  22 -12.737   4.030  -1.739
  316   1HD   ARG  22           HD2      ARG  22 -10.415   3.524  -1.972
  317   2HD   ARG  22           HD1      ARG  22 -11.330   2.026  -1.967
  318    HE   ARG  22           HE       ARG  22 -10.253   3.359  -4.476
  319   1HH1  ARG  22          HH11      ARG  22 -11.935   1.899  -5.693
  320   2HH1  ARG  22          HH12      ARG  22 -11.367   0.256  -5.672
  321   1HH2  ARG  22          HH21      ARG  22  -9.348   1.075  -3.048
  322   2HH2  ARG  22          HH22      ARG  22  -9.714  -0.277  -4.014
  323    H    GLY  23           HN       GLY  23 -11.804  -0.205  -2.976
  324   1HA   GLY  23           HA2      GLY  23 -13.217  -2.392  -4.270
  325   2HA   GLY  23           HA1      GLY  23 -12.165  -1.526  -5.404
  326    H    PHE  24           HN       PHE  24 -11.525  -4.318  -4.264
  327    HA   PHE  24           HA       PHE  24  -8.993  -3.284  -3.114
  328   1HB   PHE  24           HB2      PHE  24 -10.836  -3.894  -1.292
  329   2HB   PHE  24           HB1      PHE  24 -10.223  -5.549  -1.517
  330    HD1  PHE  24           HD2      PHE  24  -9.146  -2.048  -1.261
  331    HD2  PHE  24           HD1      PHE  24  -8.048  -6.072  -0.521
  332    HE1  PHE  24           HE2      PHE  24  -7.044  -1.270  -0.246
  333    HE2  PHE  24           HE1      PHE  24  -5.965  -5.307   0.494
  334    HZ   PHE  24           HZ       PHE  24  -5.494  -2.906   0.612
  335    OH   TYR  25           OH       TYR  25  -4.996  -0.563  -1.725
  336    H    TYR  25           HN       TYR  25  -7.297  -4.566  -2.861
  337    HA   TYR  25           HA       TYR  25  -6.965  -6.928  -4.620
  338   1HB   TYR  25           HB2      TYR  25  -4.504  -5.867  -4.793
  339   2HB   TYR  25           HB1      TYR  25  -5.847  -5.076  -5.612
  340    HD1  TYR  25           HD1      TYR  25  -6.874  -3.112  -4.799
  341    HD2  TYR  25           HD2      TYR  25  -3.581  -4.795  -2.670
  342    HE1  TYR  25           HE1      TYR  25  -6.629  -1.047  -3.434
  343    HE2  TYR  25           HE2      TYR  25  -3.400  -2.665  -1.349
  344    HH   TYR  25           HH       TYR  25  -4.494  -0.083  -2.399
  345    H    THR  26           HN       THR  26  -4.640  -7.908  -4.131
  346    HA   THR  26           HA       THR  26  -4.556  -8.679  -1.213
  347    HB   THR  26           HB       THR  26  -4.105 -11.013  -1.850
  348    HG1  THR  26           HG1      THR  26  -4.848 -10.535  -4.438
  349   1HG2  THR  26          HG23      THR  26  -6.406  -9.791  -3.511
  350   2HG2  THR  26          HG22      THR  26  -6.304 -11.452  -2.949
  351   3HG2  THR  26          HG21      THR  26  -6.529 -10.139  -1.809
  352    HA   PRO  27           HA       PRO  27  -0.106  -7.540  -0.847
  353   1HB   PRO  27           HB2      PRO  27  -1.126  -9.147   1.453
  354   2HB   PRO  27           HB1      PRO  27  -0.202  -7.654   1.473
  355   1HG   PRO  27           HG2      PRO  27  -3.144  -7.984   1.558
  356   2HG   PRO  27           HG1      PRO  27  -2.233  -6.483   1.696
  357   1HD   PRO  27           HD2      PRO  27  -3.852  -6.957  -0.463
  358   2HD   PRO  27           HD1      PRO  27  -2.359  -6.016  -0.606
  359    H    LYS  28           HN       LYS  28   1.616  -8.719  -0.526
  360    HA   LYS  28           HA       LYS  28   2.837 -10.944  -0.200
  361   1HB   LYS  28           HB2      LYS  28   2.453 -12.742  -1.634
  362   2HB   LYS  28           HB1      LYS  28   0.822 -12.259  -1.389
  363   1HG   LYS  28           HG2      LYS  28   2.662 -11.811  -3.777
  364   2HG   LYS  28           HG1      LYS  28   1.233 -12.803  -3.762
  365   1HD   LYS  28           HD2      LYS  28   0.616  -9.957  -3.133
  366   2HD   LYS  28           HD1      LYS  28   1.529 -10.090  -4.579
  367   1HE   LYS  28           HE2      LYS  28  -0.793 -10.103  -5.200
  368   2HE   LYS  28           HE1      LYS  28  -0.187 -11.735  -5.476
  369   1HZ   LYS  28           HZ1      LYS  28  -1.038 -11.362  -2.785
  370   2HZ   LYS  28           HZ3      LYS  28  -2.293 -10.943  -3.770
  371   3HZ   LYS  28           HZ2      LYS  28  -1.657 -12.510  -3.870
  372    H    THR  29           HN       THR  29   5.024 -10.687  -1.007
  373    HA   THR  29           HA       THR  29   5.359  -9.020  -3.340
  374    HB   THR  29           HB       THR  29   6.077  -7.866  -1.103
  375    HG1  THR  29           HG1      THR  29   7.634  -8.606  -3.278
  376   1HG2  THR  29          HG22      THR  29   7.249  -9.958  -0.147
  377   2HG2  THR  29          HG21      THR  29   8.403  -9.783  -1.455
  378   3HG2  THR  29          HG23      THR  29   8.250  -8.508  -0.255
   
  Start of MODEL          13
 Raw file had  378 H/Q atoms
  Start of MODEL   13
    1   1H    GLY   1           HT1      GLY   1   8.569  -5.384  -7.165
    2   2H    GLY   1           HT3      GLY   1   8.904  -6.666  -8.175
    3   3H    GLY   1           HT2      GLY   1   9.296  -5.112  -8.692
    4   1HA   GLY   1           HA1      GLY   1   7.197  -5.026  -9.656
    5   2HA   GLY   1           HA2      GLY   1   6.770  -6.535  -8.821
    6    H    ILE   2           HN       ILE   2   4.646  -5.212  -8.609
    7    HA   ILE   2           HA       ILE   2   4.131  -2.958  -7.168
    8    HB   ILE   2           HB       ILE   2   2.380  -4.226  -8.202
    9   1HG1  ILE   2          HG12      ILE   2   1.966  -4.201  -5.183
   10   2HG1  ILE   2          HG11      ILE   2   1.481  -3.026  -6.393
   11   1HG2  ILE   2          HG22      ILE   2   3.366  -6.544  -8.022
   12   2HG2  ILE   2          HG21      ILE   2   2.890  -6.619  -6.346
   13   3HG2  ILE   2          HG23      ILE   2   1.686  -6.506  -7.588
   14   1HD1  ILE   2           HD2      ILE   2  -0.146  -4.574  -7.349
   15   2HD1  ILE   2           HD1      ILE   2   0.319  -5.808  -6.178
   16   3HD1  ILE   2           HD3      ILE   2  -0.416  -4.323  -5.634
   17    H    VAL   3           HN       VAL   3   4.050  -5.987  -5.284
   18    HA   VAL   3           HA       VAL   3   4.039  -4.746  -2.779
   19    HB   VAL   3           HB       VAL   3   4.467  -7.172  -2.199
   20   1HG1  VAL   3          HG11      VAL   3   2.327  -6.545  -4.274
   21   2HG1  VAL   3          HG13      VAL   3   2.340  -7.928  -3.216
   22   3HG1  VAL   3          HG12      VAL   3   2.189  -6.308  -2.543
   23   1HG2  VAL   3          HG22      VAL   3   4.561  -7.636  -5.224
   24   2HG2  VAL   3          HG21      VAL   3   5.808  -8.019  -4.066
   25   3HG2  VAL   3          HG23      VAL   3   4.291  -8.860  -4.041
   26    H    GLU   4           HN       GLU   4   6.689  -6.516  -4.314
   27    HA   GLU   4           HA       GLU   4   8.731  -6.009  -2.563
   28   1HB   GLU   4           HB2      GLU   4   9.218  -5.391  -5.502
   29   2HB   GLU   4           HB1      GLU   4  10.276  -6.201  -4.375
   30   1HG   GLU   4           HG2      GLU   4   9.581  -8.175  -5.437
   31   2HG   GLU   4           HG1      GLU   4   8.231  -8.044  -4.357
   32    H    GLN   5           HN       GLN   5   7.350  -3.726  -4.897
   33    HA   GLN   5           HA       GLN   5   8.928  -1.438  -4.444
   34   1HB   GLN   5           HB2      GLN   5   7.902  -0.890  -6.193
   35   2HB   GLN   5           HB1      GLN   5   6.763  -2.187  -5.984
   36   1HG   GLN   5           HG2      GLN   5   5.620  -0.219  -6.202
   37   2HG   GLN   5           HG1      GLN   5   5.410  -0.822  -4.557
   38   1HE2  GLN   5          HE22      GLN   5   7.500   2.306  -3.832
   39   2HE2  GLN   5          HE21      GLN   5   8.232   0.814  -4.082
   40    H    CYS   6           HN       CYS   6   5.692  -2.035  -3.163
   41    HA   CYS   6           HA       CYS   6   5.870   0.158  -1.211
   42   1HB   CYS   6           HB2      CYS   6   3.790  -0.950  -2.126
   43   2HB   CYS   6           HB1      CYS   6   4.124  -2.353  -1.145
   44    H    CYS   7           HN       CYS   7   6.841  -3.187  -0.645
   45    HA   CYS   7           HA       CYS   7   7.361  -2.331   2.063
   46   1HB   CYS   7           HB2      CYS   7   7.988  -4.735   2.392
   47   2HB   CYS   7           HB1      CYS   7   6.383  -4.305   1.941
   48    H    THR   8           HN       THR   8   9.315  -3.192  -0.770
   49    HA   THR   8           HA       THR   8  11.850  -3.012   0.726
   50    HB   THR   8           HB       THR   8  11.655  -4.185  -1.682
   51    HG1  THR   8           HG1      THR   8  13.543  -2.406  -0.531
   52   1HG2  THR   8          HG22      THR   8  11.010  -1.932  -2.941
   53   2HG2  THR   8          HG21      THR   8  12.597  -1.362  -2.461
   54   3HG2  THR   8          HG23      THR   8  12.455  -2.768  -3.479
   55    H    SER   9           HN       SER   9  10.058  -0.829  -1.392
   56    HA   SER   9           HA       SER   9  11.785   1.292  -0.499
   57   1HB   SER   9           HB2      SER   9  11.140   2.485  -2.609
   58   2HB   SER   9           HB1      SER   9  12.219   1.076  -2.739
   59    HG   SER   9           HG1      SER   9   9.516   0.495  -2.731
   60    H    ILE  10           HN       ILE  10  10.491   1.658   1.210
   61    HA   ILE  10           HA       ILE  10   9.032   2.805   2.462
   62    HB   ILE  10           HB       ILE  10  10.081   4.234   0.285
   63   1HG1  ILE  10          HG12      ILE  10  10.983   5.653   2.256
   64   2HG1  ILE  10          HG11      ILE  10  10.482   4.227   3.192
   65   1HG2  ILE  10          HG21      ILE  10   8.122   5.613   1.984
   66   2HG2  ILE  10          HG23      ILE  10   9.358   6.399   0.964
   67   3HG2  ILE  10          HG22      ILE  10   8.114   5.391   0.220
   68   1HD1  ILE  10           HD2      ILE  10  11.746   2.850   1.593
   69   2HD1  ILE  10           HD1      ILE  10  12.285   4.292   0.791
   70   3HD1  ILE  10           HD3      ILE  10  12.753   3.969   2.472
   71    H    CYS  11           HN       CYS  11   7.586   3.386  -0.707
   72    HA   CYS  11           HA       CYS  11   5.332   3.326  -1.393
   73   1HB   CYS  11           HB2      CYS  11   5.441   1.315   0.433
   74   2HB   CYS  11           HB1      CYS  11   4.468   2.397   1.347
   75    H    SER  12           HN       SER  12   3.320   4.600  -1.051
   76    HA   SER  12           HA       SER  12   2.984   6.292   1.227
   77   1HB   SER  12           HB2      SER  12   3.776   8.411   0.462
   78   2HB   SER  12           HB1      SER  12   5.084   7.308   0.060
   79    HG   SER  12           HG1      SER  12   3.700   7.108  -2.039
   80    H    LEU  13           HN       LEU  13   2.163   8.479  -0.721
   81    HA   LEU  13           HA       LEU  13  -0.592   8.147  -0.669
   82   1HB   LEU  13           HB2      LEU  13   1.247   9.915  -2.338
   83   2HB   LEU  13           HB1      LEU  13  -0.480  10.092  -2.385
   84    HG   LEU  13           HG       LEU  13   0.753  11.714  -0.850
   85   1HD1  LEU  13          HD12      LEU  13  -1.687  11.210  -0.608
   86   2HD1  LEU  13          HD11      LEU  13  -1.319   9.861   0.447
   87   3HD1  LEU  13          HD13      LEU  13  -0.961  11.497   0.961
   88   1HD2  LEU  13          HD23      LEU  13   2.367  10.172   0.187
   89   2HD2  LEU  13          HD22      LEU  13   1.369  10.968   1.389
   90   3HD2  LEU  13          HD21      LEU  13   1.050   9.304   0.975
   91    OH   TYR  14           OH       TYR  14   1.491  12.948  -6.282
   92    H    TYR  14           HN       TYR  14   1.248   8.235  -3.561
   93    HA   TYR  14           HA       TYR  14  -0.585   7.370  -5.492
   94   1HB   TYR  14           HB2      TYR  14   2.465   6.945  -5.366
   95   2HB   TYR  14           HB1      TYR  14   1.496   6.851  -6.845
   96    HD1  TYR  14           HD1      TYR  14  -0.396   8.903  -6.831
   97    HD2  TYR  14           HD2      TYR  14   3.532   9.076  -5.174
   98    HE1  TYR  14           HE1      TYR  14  -0.442  11.310  -7.002
   99    HE2  TYR  14           HE2      TYR  14   3.451  11.550  -5.368
  100    HH   TYR  14           HH       TYR  14   0.567  13.174  -6.403
  101    H    GLN  15           HN       GLN  15   1.310   5.627  -3.341
  102    HA   GLN  15           HA       GLN  15   0.701   3.003  -4.326
  103   1HB   GLN  15           HB2      GLN  15   1.668   4.259  -1.827
  104   2HB   GLN  15           HB1      GLN  15   1.361   2.547  -1.772
  105   1HG   GLN  15           HG2      GLN  15   3.712   2.686  -2.422
  106   2HG   GLN  15           HG1      GLN  15   2.957   2.607  -3.978
  107   1HE2  GLN  15          HE22      GLN  15   4.988   5.393  -4.594
  108   2HE2  GLN  15          HE21      GLN  15   4.895   3.684  -4.681
  109    H    LEU  16           HN       LEU  16  -0.402   4.495  -1.274
  110    HA   LEU  16           HA       LEU  16  -2.547   3.064  -0.602
  111   1HB   LEU  16           HB2      LEU  16  -2.315   6.066  -0.665
  112   2HB   LEU  16           HB1      LEU  16  -3.544   5.202   0.252
  113    HG   LEU  16           HG       LEU  16  -0.609   4.540   0.641
  114   1HD1  LEU  16          HD12      LEU  16  -2.274   6.610   2.184
  115   2HD1  LEU  16          HD11      LEU  16  -0.633   6.129   2.576
  116   3HD1  LEU  16          HD13      LEU  16  -0.957   7.007   1.098
  117   1HD2  LEU  16          HD23      LEU  16  -3.050   4.312   2.414
  118   2HD2  LEU  16          HD22      LEU  16  -2.267   2.997   1.564
  119   3HD2  LEU  16          HD21      LEU  16  -1.406   3.869   2.827
  120    H    GLU  17           HN       GLU  17  -2.657   5.343  -3.214
  121    HA   GLU  17           HA       GLU  17  -5.399   4.703  -3.847
  122   1HB   GLU  17           HB2      GLU  17  -5.051   6.808  -5.483
  123   2HB   GLU  17           HB1      GLU  17  -5.141   7.115  -3.760
  124   1HG   GLU  17           HG2      GLU  17  -2.970   7.856  -3.691
  125   2HG   GLU  17           HG1      GLU  17  -2.376   6.486  -4.585
  126    H    ASN  18           HN       ASN  18  -2.665   5.421  -6.054
  127    HA   ASN  18           HA       ASN  18  -3.777   3.956  -8.265
  128   1HB   ASN  18           HB2      ASN  18  -1.217   5.277  -7.611
  129   2HB   ASN  18           HB1      ASN  18  -0.957   3.839  -8.561
  130   1HD2  ASN  18          HD22      ASN  18  -2.767   7.001 -10.285
  131   2HD2  ASN  18          HD21      ASN  18  -2.591   6.955  -8.585
  132    OH   TYR  19           OH       TYR  19   2.706  -2.867  -3.020
  133    H    TYR  19           HN       TYR  19  -2.447   2.774  -5.472
  134    HA   TYR  19           HA       TYR  19  -2.020   0.064  -6.673
  135   1HB   TYR  19           HB2      TYR  19  -0.044   1.510  -6.204
  136   2HB   TYR  19           HB1      TYR  19  -0.641   1.758  -4.631
  137    HD1  TYR  19           HD1      TYR  19  -0.814  -0.087  -2.989
  138    HD2  TYR  19           HD2      TYR  19   1.686  -0.079  -6.413
  139    HE1  TYR  19           HE1      TYR  19   0.555  -1.757  -1.952
  140    HE2  TYR  19           HE2      TYR  19   3.076  -1.728  -5.383
  141    HH   TYR  19           HH       TYR  19   3.588  -2.754  -3.385
  142    H    CYS  20           HN       CYS  20  -4.492   1.183  -5.610
  143    HA   CYS  20           HA       CYS  20  -5.111  -0.864  -3.504
  144   1HB   CYS  20           HB2      CYS  20  -6.165   0.813  -2.202
  145   2HB   CYS  20           HB1      CYS  20  -4.777   1.605  -2.902
  146    H    ASN  21           HN       ASN  21  -7.745   0.707  -3.745
  147    HA   ASN  21           HA       ASN  21  -9.836  -0.035  -4.159
  148   1HB   ASN  21           HB2      ASN  21 -10.439   1.568  -5.819
  149   2HB   ASN  21           HB1      ASN  21  -8.987   2.135  -5.064
  150   1HD2  ASN  21          HD22      ASN  21  -7.326   0.794  -8.250
  151   2HD2  ASN  21          HD21      ASN  21  -7.598  -0.095  -6.828
  152   1H    PHE   1           HT3      PHE   1   8.187  12.230   0.079
  153   2H    PHE   1           HT2      PHE   1   6.843  11.535  -0.684
  154   3H    PHE   1           HT1      PHE   1   6.658  12.915   0.290
  155    HA   PHE   1           HA       PHE   1   6.379  11.647   2.134
  156   1HB   PHE   1           HB2      PHE   1   5.555  10.017   0.102
  157   2HB   PHE   1           HB1      PHE   1   6.977   9.085   0.537
  158    HD1  PHE   1           HD1      PHE   1   4.140  10.896   2.216
  159    HD2  PHE   1           HD2      PHE   1   6.639   7.420   2.179
  160    HE1  PHE   1           HE1      PHE   1   2.870   9.948   4.074
  161    HE2  PHE   1           HE2      PHE   1   5.360   6.506   4.020
  162    HZ   PHE   1           HZ       PHE   1   3.480   7.752   4.983
  163    H    VAL   2           HN       VAL   2   8.036   9.345   3.288
  164    HA   VAL   2           HA       VAL   2  10.785  10.218   2.621
  165    HB   VAL   2           HB       VAL   2  10.091  11.873   4.305
  166   1HG1  VAL   2          HG13      VAL   2   8.188  10.622   5.413
  167   2HG1  VAL   2          HG12      VAL   2   9.356   9.584   6.215
  168   3HG1  VAL   2          HG11      VAL   2   9.329  11.286   6.555
  169   1HG2  VAL   2          HG23      VAL   2  12.373  10.989   4.522
  170   2HG2  VAL   2          HG22      VAL   2  11.729  11.377   6.102
  171   3HG2  VAL   2          HG21      VAL   2  11.822   9.706   5.578
  172    H    ASN   3           HN       ASN   3   9.008   8.336   5.033
  173    HA   ASN   3           HA       ASN   3  10.422   6.070   4.162
  174   1HB   ASN   3           HB2      ASN   3  11.117   5.567   6.612
  175   2HB   ASN   3           HB1      ASN   3  11.611   7.194   6.162
  176   1HD2  ASN   3          HD22      ASN   3   9.716   8.497   8.763
  177   2HD2  ASN   3          HD21      ASN   3  11.100   8.668   7.781
  178    H    GLN   4           HN       GLN   4   9.553   4.303   6.099
  179    HA   GLN   4           HA       GLN   4   7.369   3.590   7.132
  180   1HB   GLN   4           HB2      GLN   4   6.412   4.462   4.462
  181   2HB   GLN   4           HB1      GLN   4   5.487   3.343   5.418
  182   1HG   GLN   4           HG2      GLN   4   6.425   6.116   6.425
  183   2HG   GLN   4           HG1      GLN   4   4.766   5.630   6.104
  184   1HE2  GLN   4          HE22      GLN   4   6.389   4.960   9.626
  185   2HE2  GLN   4          HE21      GLN   4   7.310   5.710   8.396
  186    H    HIS   5           HN       HIS   5   6.951   2.560   3.892
  187    HA   HIS   5           HA       HIS   5   7.183   0.628   2.693
  188   1HB   HIS   5           HB2      HIS   5   8.404  -0.704   5.120
  189   2HB   HIS   5           HB1      HIS   5   8.442  -1.190   3.425
  190    HD1  HIS   5           HD1      HIS   5  10.261  -0.449   2.156
  191    HD2  HIS   5           HD2      HIS   5  10.069   1.741   5.552
  192    HE1  HIS   5           HE1      HIS   5  12.264   1.067   2.152
  193    H    LEU   6           HN       LEU   6   5.626  -1.123   2.412
  194    HA   LEU   6           HA       LEU   6   3.888  -1.561   4.821
  195   1HB   LEU   6           HB2      LEU   6   2.684  -1.425   2.166
  196   2HB   LEU   6           HB1      LEU   6   2.016  -1.497   3.773
  197    HG   LEU   6           HG       LEU   6   3.832   0.740   3.207
  198   1HD1  LEU   6          HD11      LEU   6   1.869   0.800   1.529
  199   2HD1  LEU   6          HD13      LEU   6   0.764   0.617   2.870
  200   3HD1  LEU   6          HD12      LEU   6   1.724   2.076   2.713
  201   1HD2  LEU   6          HD21      LEU   6   1.502   0.339   5.119
  202   2HD2  LEU   6          HD23      LEU   6   3.207   0.301   5.514
  203   3HD2  LEU   6          HD22      LEU   6   2.483   1.787   4.989
  204    H    CYS   7           HN       CYS   7   4.467  -3.642   1.870
  205    HA   CYS   7           HA       CYS   7   2.980  -5.754   1.887
  206   1HB   CYS   7           HB2      CYS   7   5.897  -6.214   2.464
  207   2HB   CYS   7           HB1      CYS   7   4.818  -7.394   1.821
  208    H    GLY   8           HN       GLY   8   1.600  -6.202   3.355
  209   1HA   GLY   8           HA2      GLY   8   1.159  -8.301   4.841
  210   2HA   GLY   8           HA1      GLY   8   2.353  -7.560   5.928
  211    H    SER   9           HN       SER   9   0.697  -7.269   7.580
  212    HA   SER   9           HA       SER   9  -1.821  -6.098   7.427
  213   1HB   SER   9           HB2      SER   9   0.238  -5.248   9.554
  214   2HB   SER   9           HB1      SER   9  -1.519  -5.246   9.698
  215    HG   SER   9           HG1      SER   9  -1.332  -7.280  10.189
  216    H    HIS  10           HN       HIS  10   0.936  -4.088   8.244
  217    HA   HIS  10           HA       HIS  10   0.173  -1.579   7.928
  218   1HB   HIS  10           HB2      HIS  10   2.673  -2.900   7.846
  219   2HB   HIS  10           HB1      HIS  10   2.644  -2.129   6.283
  220    HD1  HIS  10           HD1      HIS  10   4.401  -0.305   6.965
  221    HD2  HIS  10           HD2      HIS  10   1.111  -0.328   9.412
  222    HE1  HIS  10           HE1      HIS  10   4.542   1.713   8.380
  223    H    LEU  11           HN       LEU  11   0.925  -3.520   5.134
  224    HA   LEU  11           HA       LEU  11   0.084  -1.508   3.197
  225   1HB   LEU  11           HB2      LEU  11   1.806  -3.370   2.820
  226   2HB   LEU  11           HB1      LEU  11   0.550  -4.537   2.784
  227    HG   LEU  11           HG       LEU  11   0.595  -2.095   0.998
  228   1HD1  LEU  11          HD12      LEU  11   2.737  -3.294   0.675
  229   2HD1  LEU  11          HD11      LEU  11   1.885  -4.809   0.409
  230   3HD1  LEU  11          HD13      LEU  11   1.708  -3.483  -0.718
  231   1HD2  LEU  11          HD22      LEU  11  -0.435  -4.993   0.659
  232   2HD2  LEU  11          HD21      LEU  11  -1.492  -3.654   1.025
  233   3HD2  LEU  11          HD23      LEU  11  -0.665  -3.705  -0.505
  234    H    VAL  12           HN       VAL  12  -1.355  -4.663   3.790
  235    HA   VAL  12           HA       VAL  12  -3.715  -4.142   2.240
  236    HB   VAL  12           HB       VAL  12  -4.830  -5.938   3.564
  237   1HG1  VAL  12          HG12      VAL  12  -3.180  -6.629   1.857
  238   2HG1  VAL  12          HG11      VAL  12  -1.884  -6.548   3.047
  239   3HG1  VAL  12          HG13      VAL  12  -3.156  -7.747   3.211
  240   1HG2  VAL  12          HG22      VAL  12  -2.391  -5.841   5.384
  241   2HG2  VAL  12          HG21      VAL  12  -4.015  -5.376   5.861
  242   3HG2  VAL  12          HG23      VAL  12  -3.668  -7.041   5.463
  243    H    GLU  13           HN       GLU  13  -3.091  -3.550   5.550
  244    HA   GLU  13           HA       GLU  13  -5.476  -2.401   6.528
  245   1HB   GLU  13           HB2      GLU  13  -3.395  -3.505   7.492
  246   2HB   GLU  13           HB1      GLU  13  -2.525  -2.016   7.215
  247   1HG   GLU  13           HG2      GLU  13  -3.675  -0.962   8.995
  248   2HG   GLU  13           HG1      GLU  13  -4.864  -2.279   9.091
  249    H    ALA  14           HN       ALA  14  -2.501  -0.693   5.723
  250    HA   ALA  14           HA       ALA  14  -3.191   1.921   5.572
  251   1HB   ALA  14           HB1      ALA  14  -1.749   0.374   3.425
  252   2HB   ALA  14           HB3      ALA  14  -1.688   2.109   3.599
  253   3HB   ALA  14           HB2      ALA  14  -0.991   1.090   4.848
  254    H    LEU  15           HN       LEU  15  -3.626  -0.245   2.938
  255    HA   LEU  15           HA       LEU  15  -5.027   1.534   1.267
  256   1HB   LEU  15           HB2      LEU  15  -4.545  -1.436   1.375
  257   2HB   LEU  15           HB1      LEU  15  -5.324  -0.656  -0.008
  258    HG   LEU  15           HG       LEU  15  -2.713   0.616   0.984
  259   1HD1  LEU  15          HD11      LEU  15  -3.028  -1.760  -0.789
  260   2HD1  LEU  15          HD13      LEU  15  -1.508  -0.952  -0.445
  261   3HD1  LEU  15          HD12      LEU  15  -2.337  -1.853   0.799
  262   1HD2  LEU  15          HD21      LEU  15  -4.167   1.515  -0.863
  263   2HD2  LEU  15          HD23      LEU  15  -2.569   1.047  -1.422
  264   3HD2  LEU  15          HD22      LEU  15  -3.934   0.002  -1.723
  265    OH   TYR  16           OH       TYR  16  -6.967  -7.266   4.521
  266    H    TYR  16           HN       TYR  16  -6.201  -1.314   3.017
  267    HA   TYR  16           HA       TYR  16  -8.855  -1.356   2.790
  268   1HB   TYR  16           HB2      TYR  16  -7.153  -1.375   5.231
  269   2HB   TYR  16           HB1      TYR  16  -8.844  -1.603   5.469
  270    HD1  TYR  16           HD2      TYR  16  -8.234  -3.409   2.542
  271    HD2  TYR  16           HD1      TYR  16  -7.292  -3.336   6.677
  272    HE1  TYR  16           HE2      TYR  16  -7.744  -5.773   2.486
  273    HE2  TYR  16           HE1      TYR  16  -6.792  -5.694   6.632
  274    HH   TYR  16           HH       TYR  16  -7.660  -7.655   3.983
  275    H    LEU  17           HN       LEU  17  -7.188   0.879   4.660
  276    HA   LEU  17           HA       LEU  17  -9.650   2.394   5.294
  277   1HB   LEU  17           HB2      LEU  17  -6.978   3.483   6.088
  278   2HB   LEU  17           HB1      LEU  17  -8.470   3.479   7.019
  279    HG   LEU  17           HG       LEU  17  -6.748   1.297   6.236
  280   1HD1  LEU  17          HD11      LEU  17  -5.572   2.731   7.858
  281   2HD1  LEU  17          HD13      LEU  17  -6.954   2.718   8.945
  282   3HD1  LEU  17          HD12      LEU  17  -5.988   1.264   8.720
  283   1HD2  LEU  17          HD21      LEU  17  -9.064   0.482   6.846
  284   2HD2  LEU  17          HD23      LEU  17  -7.987  -0.039   8.127
  285   3HD2  LEU  17          HD22      LEU  17  -8.999   1.379   8.350
  286    H    VAL  18           HN       VAL  18  -6.532   3.280   3.912
  287    HA   VAL  18           HA       VAL  18  -7.496   5.788   3.569
  288    HB   VAL  18           HB       VAL  18  -5.202   4.356   2.134
  289   1HG1  VAL  18          HG11      VAL  18  -5.785   7.371   2.187
  290   2HG1  VAL  18          HG13      VAL  18  -4.329   6.654   1.534
  291   3HG1  VAL  18          HG12      VAL  18  -5.869   6.363   0.758
  292   1HG2  VAL  18          HG21      VAL  18  -5.278   6.454   4.384
  293   2HG2  VAL  18          HG23      VAL  18  -4.998   4.741   4.629
  294   3HG2  VAL  18          HG22      VAL  18  -3.818   5.709   3.771
  295    H    CYS  19           HN       CYS  19  -7.748   3.077   1.725
  296    HA   CYS  19           HA       CYS  19  -9.420   4.235  -0.462
  297   1HB   CYS  19           HB2      CYS  19  -7.223   3.855  -1.285
  298   2HB   CYS  19           HB1      CYS  19  -7.185   2.251  -0.622
  299    H    GLY  20           HN       GLY  20  -8.954   1.309   1.432
  300   1HA   GLY  20           HA2      GLY  20 -10.455  -0.693   0.375
  301   2HA   GLY  20           HA1      GLY  20 -10.694  -0.343   2.054
  302    H    GLU  21           HN       GLU  21 -11.973   1.863   2.053
  303    HA   GLU  21           HA       GLU  21 -14.653   1.426   1.936
  304   1HB   GLU  21           HB2      GLU  21 -13.489   3.376   2.929
  305   2HB   GLU  21           HB1      GLU  21 -13.100   4.016   1.365
  306   1HG   GLU  21           HG2      GLU  21 -15.610   4.226   0.861
  307   2HG   GLU  21           HG1      GLU  21 -15.976   3.541   2.427
  308    NH1  ARG  22           NH2      ARG  22 -11.385   3.336  -8.008
  309    NH2  ARG  22           NH1      ARG  22 -11.414   1.166  -7.837
  310    H    ARG  22           HN       ARG  22 -12.724   2.055  -0.817
  311    HA   ARG  22           HA       ARG  22 -14.983   2.180  -2.729
  312   1HB   ARG  22           HB2      ARG  22 -13.150   3.902  -2.683
  313   2HB   ARG  22           HB1      ARG  22 -11.985   2.673  -3.076
  314   1HG   ARG  22           HG2      ARG  22 -14.262   3.680  -4.861
  315   2HG   ARG  22           HG1      ARG  22 -12.543   3.946  -5.096
  316   1HD   ARG  22           HD2      ARG  22 -12.343   1.318  -5.286
  317   2HD   ARG  22           HD1      ARG  22 -14.079   1.345  -5.478
  318    HE   ARG  22           HE       ARG  22 -13.821   2.695  -7.563
  319   1HH1  ARG  22          HH21      ARG  22 -11.835   4.204  -7.870
  320   2HH1  ARG  22          HH22      ARG  22 -10.484   3.253  -8.428
  321   1HH2  ARG  22          HH11      ARG  22 -11.849   0.325  -7.514
  322   2HH2  ARG  22          HH12      ARG  22 -10.541   1.063  -8.297
  323    H    GLY  23           HN       GLY  23 -11.705   0.229  -2.814
  324   1HA   GLY  23           HA2      GLY  23 -13.302  -2.078  -3.565
  325   2HA   GLY  23           HA1      GLY  23 -12.288  -1.418  -4.866
  326    H    PHE  24           HN       PHE  24 -11.430  -3.777  -4.199
  327    HA   PHE  24           HA       PHE  24  -9.031  -3.014  -2.753
  328   1HB   PHE  24           HB2      PHE  24 -10.915  -3.876  -1.054
  329   2HB   PHE  24           HB1      PHE  24 -10.357  -5.492  -1.544
  330    HD1  PHE  24           HD1      PHE  24  -9.221  -2.132  -0.616
  331    HD2  PHE  24           HD2      PHE  24  -8.198  -6.254  -0.714
  332    HE1  PHE  24           HE1      PHE  24  -7.134  -1.616   0.526
  333    HE2  PHE  24           HE2      PHE  24  -6.083  -5.746   0.437
  334    HZ   PHE  24           HZ       PHE  24  -5.577  -3.405   1.027
  335    OH   TYR  25           OH       TYR  25  -1.705  -2.666  -2.235
  336    H    TYR  25           HN       TYR  25  -7.354  -4.565  -2.788
  337    HA   TYR  25           HA       TYR  25  -7.486  -6.699  -4.866
  338   1HB   TYR  25           HB2      TYR  25  -5.419  -5.843  -5.782
  339   2HB   TYR  25           HB1      TYR  25  -6.465  -4.473  -5.492
  340    HD1  TYR  25           HD1      TYR  25  -5.749  -4.665  -2.229
  341    HD2  TYR  25           HD2      TYR  25  -3.575  -4.296  -5.891
  342    HE1  TYR  25           HE1      TYR  25  -3.911  -3.522  -1.039
  343    HE2  TYR  25           HE2      TYR  25  -1.759  -3.141  -4.591
  344    HH   TYR  25           HH       TYR  25  -1.809  -1.839  -2.727
  345    H    THR  26           HN       THR  26  -5.384  -8.061  -4.825
  346    HA   THR  26           HA       THR  26  -4.932  -9.071  -2.023
  347    HB   THR  26           HB       THR  26  -4.773 -11.359  -3.071
  348    HG1  THR  26           HG1      THR  26  -3.958 -10.296  -5.035
  349   1HG2  THR  26          HG22      THR  26  -7.135 -10.262  -2.651
  350   2HG2  THR  26          HG21      THR  26  -7.063  -9.730  -4.317
  351   3HG2  THR  26          HG23      THR  26  -7.077 -11.438  -3.960
  352    HA   PRO  27           HA       PRO  27  -1.152  -7.349  -4.127
  353   1HB   PRO  27           HB2      PRO  27  -0.012  -6.015  -2.007
  354   2HB   PRO  27           HB1      PRO  27  -1.381  -5.422  -2.918
  355   1HG   PRO  27           HG2      PRO  27  -1.534  -7.087  -0.316
  356   2HG   PRO  27           HG1      PRO  27  -2.241  -5.500  -0.640
  357   1HD   PRO  27           HD2      PRO  27  -3.780  -7.635  -0.987
  358   2HD   PRO  27           HD1      PRO  27  -3.797  -6.373  -2.229
  359    H    LYS  28           HN       LYS  28  -0.014  -8.128  -0.938
  360    HA   LYS  28           HA       LYS  28   1.986  -8.950  -0.228
  361   1HB   LYS  28           HB2      LYS  28   1.704 -11.149   0.380
  362   2HB   LYS  28           HB1      LYS  28   0.074 -10.555   0.183
  363   1HG   LYS  28           HG2      LYS  28   1.604 -12.184  -1.912
  364   2HG   LYS  28           HG1      LYS  28   0.557 -12.868  -0.711
  365   1HD   LYS  28           HD2      LYS  28  -1.381 -12.074  -1.596
  366   2HD   LYS  28           HD1      LYS  28  -0.693 -10.616  -2.190
  367   1HE   LYS  28           HE2      LYS  28  -0.294 -13.344  -3.487
  368   2HE   LYS  28           HE1      LYS  28  -1.380 -12.082  -4.083
  369   1HZ   LYS  28           HZ1      LYS  28   1.071 -10.900  -3.490
  370   2HZ   LYS  28           HZ3      LYS  28   1.511 -12.176  -4.418
  371   3HZ   LYS  28           HZ2      LYS  28   0.422 -10.956  -4.963
  372    H    THR  29           HN       THR  29   3.842  -9.480  -0.378
  373    HA   THR  29           HA       THR  29   5.260 -10.024  -2.818
  374    HB   THR  29           HB       THR  29   6.213  -8.183  -1.385
  375    HG1  THR  29           HG1      THR  29   7.393 -10.616  -1.908
  376   1HG2  THR  29          HG23      THR  29   5.702  -9.337   0.900
  377   2HG2  THR  29          HG22      THR  29   6.939 -10.494   0.455
  378   3HG2  THR  29          HG21      THR  29   7.367  -8.802   0.666
   
  Start of MODEL          14
 Raw file had  378 H/Q atoms
  Start of MODEL   14
    1   1H    GLY   1           HT3      GLY   1   6.501  -7.370  -6.044
    2   2H    GLY   1           HT2      GLY   1   5.884  -8.799  -6.633
    3   3H    GLY   1           HT1      GLY   1   7.040  -7.918  -7.533
    4   1HA   GLY   1           HA1      GLY   1   5.433  -6.704  -8.489
    5   2HA   GLY   1           HA2      GLY   1   4.222  -7.618  -7.597
    6    H    ILE   2           HN       ILE   2   3.050  -5.600  -7.625
    7    HA   ILE   2           HA       ILE   2   3.704  -3.128  -6.635
    8    HB   ILE   2           HB       ILE   2   1.541  -4.039  -7.635
    9   1HG1  ILE   2          HG12      ILE   2   0.029  -2.507  -6.343
   10   2HG1  ILE   2          HG11      ILE   2   1.349  -2.299  -5.212
   11   1HG2  ILE   2          HG21      ILE   2   1.190  -5.958  -6.057
   12   2HG2  ILE   2          HG23      ILE   2   0.930  -4.828  -4.745
   13   3HG2  ILE   2          HG22      ILE   2  -0.196  -4.888  -6.075
   14   1HD1  ILE   2           HD2      ILE   2   1.542  -1.581  -8.156
   15   2HD1  ILE   2           HD1      ILE   2   1.282  -0.454  -6.841
   16   3HD1  ILE   2           HD3      ILE   2   2.797  -1.315  -6.949
   17    H    VAL   3           HN       VAL   3   2.838  -5.844  -4.378
   18    HA   VAL   3           HA       VAL   3   3.224  -4.161  -2.083
   19    HB   VAL   3           HB       VAL   3   2.371  -5.925  -1.131
   20   1HG1  VAL   3          HG11      VAL   3   2.737  -7.529  -3.597
   21   2HG1  VAL   3          HG13      VAL   3   1.836  -8.062  -2.200
   22   3HG1  VAL   3          HG12      VAL   3   1.323  -6.638  -3.085
   23   1HG2  VAL   3          HG22      VAL   3   4.865  -7.539  -1.795
   24   2HG2  VAL   3          HG21      VAL   3   4.568  -6.644  -0.320
   25   3HG2  VAL   3          HG23      VAL   3   3.625  -8.071  -0.680
   26    H    GLU   4           HN       GLU   4   5.439  -6.427  -3.703
   27    HA   GLU   4           HA       GLU   4   7.701  -6.226  -2.158
   28   1HB   GLU   4           HB2      GLU   4   8.861  -7.048  -3.998
   29   2HB   GLU   4           HB1      GLU   4   7.252  -7.296  -4.559
   30   1HG   GLU   4           HG2      GLU   4   7.752  -4.759  -5.711
   31   2HG   GLU   4           HG1      GLU   4   9.393  -5.294  -5.484
   32    H    GLN   5           HN       GLN   5   6.460  -4.062  -4.511
   33    HA   GLN   5           HA       GLN   5   8.220  -1.871  -4.528
   34   1HB   GLN   5           HB2      GLN   5   5.982  -2.521  -5.898
   35   2HB   GLN   5           HB1      GLN   5   5.248  -1.400  -4.768
   36   1HG   GLN   5           HG2      GLN   5   7.571  -0.597  -6.558
   37   2HG   GLN   5           HG1      GLN   5   5.896  -0.251  -6.907
   38   1HE2  GLN   5          HE22      GLN   5   6.603   1.649  -3.543
   39   2HE2  GLN   5          HE21      GLN   5   6.018   0.070  -3.665
   40    H    CYS   6           HN       CYS   6   5.180  -2.002  -2.764
   41    HA   CYS   6           HA       CYS   6   6.156   0.002  -0.735
   42   1HB   CYS   6           HB2      CYS   6   3.592  -1.542  -1.239
   43   2HB   CYS   6           HB1      CYS   6   3.737  -0.519   0.167
   44    H    CYS   7           HN       CYS   7   7.082  -2.878  -0.831
   45    HA   CYS   7           HA       CYS   7   7.017  -3.249   2.041
   46   1HB   CYS   7           HB2      CYS   7   6.114  -5.059   0.760
   47   2HB   CYS   7           HB1      CYS   7   7.489  -5.084  -0.296
   48    H    THR   8           HN       THR   8   9.297  -3.725  -0.652
   49    HA   THR   8           HA       THR   8  11.474  -2.664   1.159
   50    HB   THR   8           HB       THR   8  11.934  -4.483  -1.276
   51    HG1  THR   8           HG1      THR   8  11.108  -4.826   1.306
   52   1HG2  THR   8          HG23      THR   8  13.546  -3.662   1.221
   53   2HG2  THR   8          HG22      THR   8  14.140  -4.649  -0.102
   54   3HG2  THR   8          HG21      THR   8  13.866  -2.933  -0.336
   55    H    SER   9           HN       SER   9  10.047  -2.142  -2.047
   56    HA   SER   9           HA       SER   9  12.183  -0.276  -2.609
   57   1HB   SER   9           HB2      SER   9   9.733  -0.650  -4.247
   58   2HB   SER   9           HB1      SER   9  11.253   0.135  -4.701
   59    HG   SER   9           HG1      SER   9  10.755  -2.546  -4.837
   60    H    ILE  10           HN       ILE  10  10.641   0.317  -0.460
   61    HA   ILE  10           HA       ILE  10   9.405   2.015   0.612
   62    HB   ILE  10           HB       ILE  10  11.414   2.877  -1.018
   63   1HG1  ILE  10          HG12      ILE  10  11.543   4.791   0.462
   64   2HG1  ILE  10          HG11      ILE  10   9.925   4.438   1.071
   65   1HG2  ILE  10          HG22      ILE  10   9.708   3.823  -2.495
   66   2HG2  ILE  10          HG21      ILE  10   9.039   4.739  -1.143
   67   3HG2  ILE  10          HG23      ILE  10  10.675   5.087  -1.730
   68   1HD1  ILE  10           HD1      ILE  10  12.330   2.535   1.277
   69   2HD1  ILE  10           HD3      ILE  10  11.747   3.514   2.604
   70   3HD1  ILE  10           HD2      ILE  10  10.759   2.246   1.976
   71    H    CYS  11           HN       CYS  11   7.611   3.325   0.778
   72    HA   CYS  11           HA       CYS  11   5.725   3.298  -1.562
   73   1HB   CYS  11           HB2      CYS  11   5.415   1.491   0.299
   74   2HB   CYS  11           HB1      CYS  11   4.821   2.799   1.256
   75    H    SER  12           HN       SER  12   3.976   4.844  -1.480
   76    HA   SER  12           HA       SER  12   4.113   7.035   0.408
   77   1HB   SER  12           HB2      SER  12   4.970   8.677  -1.041
   78   2HB   SER  12           HB1      SER  12   5.708   7.293  -1.839
   79    HG   SER  12           HG1      SER  12   4.074   7.178  -3.243
   80    H    LEU  13           HN       LEU  13   2.700   8.705  -0.793
   81    HA   LEU  13           HA       LEU  13   0.034   7.840  -0.521
   82   1HB   LEU  13           HB2      LEU  13   0.714  10.095   0.133
   83   2HB   LEU  13           HB1      LEU  13   1.305  10.436  -1.486
   84    HG   LEU  13           HG       LEU  13  -0.850  10.522  -2.371
   85   1HD1  LEU  13          HD13      LEU  13  -1.922   9.746   0.405
   86   2HD1  LEU  13          HD12      LEU  13  -2.916  10.193  -0.967
   87   3HD1  LEU  13          HD11      LEU  13  -2.005   8.723  -1.022
   88   1HD2  LEU  13          HD21      LEU  13  -0.804  11.993   0.278
   89   2HD2  LEU  13          HD23      LEU  13  -0.120  12.562  -1.243
   90   3HD2  LEU  13          HD22      LEU  13  -1.852  12.370  -1.072
   91    OH   TYR  14           OH       TYR  14   2.966  13.843  -6.074
   92    H    TYR  14           HN       TYR  14   2.071   8.563  -3.173
   93    HA   TYR  14           HA       TYR  14   0.266   8.392  -5.400
   94   1HB   TYR  14           HB2      TYR  14   3.289   7.789  -5.137
   95   2HB   TYR  14           HB1      TYR  14   2.466   7.783  -6.684
   96    HD1  TYR  14           HD1      TYR  14   3.424   9.950  -3.818
   97    HD2  TYR  14           HD2      TYR  14   1.820   9.807  -7.746
   98    HE1  TYR  14           HE1      TYR  14   3.625  12.416  -4.015
   99    HE2  TYR  14           HE2      TYR  14   2.035  12.262  -7.914
  100    HH   TYR  14           HH       TYR  14   3.386  14.020  -6.918
  101    H    GLN  15           HN       GLN  15   2.210   6.113  -3.670
  102    HA   GLN  15           HA       GLN  15   1.433   3.732  -5.075
  103   1HB   GLN  15           HB2      GLN  15   2.503   4.346  -2.345
  104   2HB   GLN  15           HB1      GLN  15   1.880   2.746  -2.590
  105   1HG   GLN  15           HG2      GLN  15   4.275   2.614  -3.107
  106   2HG   GLN  15           HG1      GLN  15   3.515   2.651  -4.675
  107   1HE2  GLN  15          HE22      GLN  15   6.154   5.040  -4.953
  108   2HE2  GLN  15          HE21      GLN  15   5.976   3.359  -4.973
  109    H    LEU  16           HN       LEU  16   0.241   4.712  -1.803
  110    HA   LEU  16           HA       LEU  16  -1.975   3.260  -1.387
  111   1HB   LEU  16           HB2      LEU  16  -2.223   6.311  -1.200
  112   2HB   LEU  16           HB1      LEU  16  -3.233   5.158  -0.404
  113    HG   LEU  16           HG       LEU  16  -0.256   5.011  -0.046
  114   1HD1  LEU  16          HD12      LEU  16  -1.260   7.300   0.761
  115   2HD1  LEU  16          HD11      LEU  16  -2.392   6.378   1.682
  116   3HD1  LEU  16          HD13      LEU  16  -0.691   6.323   2.106
  117   1HD2  LEU  16          HD23      LEU  16  -2.619   4.094   1.590
  118   2HD2  LEU  16          HD22      LEU  16  -1.549   3.054   0.653
  119   3HD2  LEU  16          HD21      LEU  16  -0.939   3.923   2.048
  120    H    GLU  17           HN       GLU  17  -2.304   6.124  -3.476
  121    HA   GLU  17           HA       GLU  17  -4.871   5.508  -4.418
  122   1HB   GLU  17           HB2      GLU  17  -2.684   7.262  -5.682
  123   2HB   GLU  17           HB1      GLU  17  -4.397   7.367  -6.071
  124   1HG   GLU  17           HG2      GLU  17  -3.162   7.981  -3.331
  125   2HG   GLU  17           HG1      GLU  17  -3.927   9.119  -4.412
  126    H    ASN  18           HN       ASN  18  -1.885   5.214  -6.268
  127    HA   ASN  18           HA       ASN  18  -3.063   3.855  -8.555
  128   1HB   ASN  18           HB2      ASN  18  -0.234   4.036  -7.489
  129   2HB   ASN  18           HB1      ASN  18  -0.620   3.227  -8.995
  130   1HD2  ASN  18          HD22      ASN  18  -0.694   7.243  -8.909
  131   2HD2  ASN  18          HD21      ASN  18  -0.474   6.366  -7.453
  132    OH   TYR  19           OH       TYR  19   0.783  -4.087  -2.499
  133    H    TYR  19           HN       TYR  19  -2.374   2.895  -5.542
  134    HA   TYR  19           HA       TYR  19  -2.489  -0.010  -6.113
  135   1HB   TYR  19           HB2      TYR  19  -0.271   1.131  -5.395
  136   2HB   TYR  19           HB1      TYR  19  -1.075   1.441  -3.871
  137    HD1  TYR  19           HD2      TYR  19  -2.274  -1.707  -4.784
  138    HD2  TYR  19           HD1      TYR  19   1.212   0.314  -3.415
  139    HE1  TYR  19           HE2      TYR  19  -1.438  -3.770  -3.826
  140    HE2  TYR  19           HE1      TYR  19   2.034  -1.746  -2.457
  141    HH   TYR  19           HH       TYR  19   1.399  -3.812  -1.822
  142    H    CYS  20           HN       CYS  20  -4.656   1.690  -5.761
  143    HA   CYS  20           HA       CYS  20  -5.859   0.862  -3.138
  144   1HB   CYS  20           HB2      CYS  20  -5.990   3.279  -3.634
  145   2HB   CYS  20           HB1      CYS  20  -6.570   2.955  -5.237
  146    H    ASN  21           HN       ASN  21  -8.539   0.814  -4.043
  147    HA   ASN  21           HA       ASN  21  -9.840  -1.052  -4.606
  148   1HB   ASN  21           HB2      ASN  21 -10.391  -0.454  -7.111
  149   2HB   ASN  21           HB1      ASN  21 -10.661   0.752  -5.865
  150   1HD2  ASN  21          HD22      ASN  21  -7.177   1.407  -7.910
  151   2HD2  ASN  21          HD21      ASN  21  -7.468  -0.107  -7.176
  152   1H    PHE   1           HT3      PHE   1   4.303  13.175   4.905
  153   2H    PHE   1           HT2      PHE   1   3.752  13.352   3.314
  154   3H    PHE   1           HT1      PHE   1   2.671  13.481   4.622
  155    HA   PHE   1           HA       PHE   1   2.294  11.266   4.639
  156   1HB   PHE   1           HB2      PHE   1   2.390  11.059   2.179
  157   2HB   PHE   1           HB1      PHE   1   4.055  11.557   2.044
  158    HD1  PHE   1           HD2      PHE   1   1.835   8.754   3.183
  159    HD2  PHE   1           HD1      PHE   1   5.787   9.986   2.114
  160    HE1  PHE   1           HE2      PHE   1   2.584   6.417   3.202
  161    HE2  PHE   1           HE1      PHE   1   6.500   7.664   2.122
  162    HZ   PHE   1           HZ       PHE   1   4.903   5.870   2.679
  163    H    VAL   2           HN       VAL   2   4.282   8.854   4.668
  164    HA   VAL   2           HA       VAL   2   6.123   9.912   6.787
  165    HB   VAL   2           HB       VAL   2   5.638   7.862   8.099
  166   1HG1  VAL   2          HG12      VAL   2   4.313   9.910   8.547
  167   2HG1  VAL   2          HG11      VAL   2   3.108   9.411   7.370
  168   3HG1  VAL   2          HG13      VAL   2   3.355   8.471   8.822
  169   1HG2  VAL   2          HG23      VAL   2   3.455   7.294   6.018
  170   2HG2  VAL   2          HG22      VAL   2   4.878   6.293   6.291
  171   3HG2  VAL   2          HG21      VAL   2   3.672   6.456   7.535
  172    H    ASN   3           HN       ASN   3   5.609   7.209   4.730
  173    HA   ASN   3           HA       ASN   3   6.951   6.011   3.326
  174   1HB   ASN   3           HB2      ASN   3   8.441   8.073   3.347
  175   2HB   ASN   3           HB1      ASN   3   9.303   7.422   4.730
  176   1HD2  ASN   3          HD22      ASN   3  10.720   6.350   1.340
  177   2HD2  ASN   3          HD21      ASN   3   9.910   7.825   1.619
  178    H    GLN   4           HN       GLN   4   9.660   5.514   5.302
  179    HA   GLN   4           HA       GLN   4  10.341   3.746   6.729
  180   1HB   GLN   4           HB2      GLN   4   8.943   4.894   8.165
  181   2HB   GLN   4           HB1      GLN   4   7.474   4.237   7.513
  182   1HG   GLN   4           HG2      GLN   4   9.459   2.250   8.589
  183   2HG   GLN   4           HG1      GLN   4   8.627   3.244   9.768
  184   1HE2  GLN   4          HE22      GLN   4   5.792   1.343   7.795
  185   2HE2  GLN   4          HE21      GLN   4   6.578   2.656   7.073
  186    H    HIS   5           HN       HIS   5   7.867   2.844   4.585
  187    HA   HIS   5           HA       HIS   5   7.792   0.941   3.153
  188   1HB   HIS   5           HB2      HIS   5   9.219  -0.550   5.372
  189   2HB   HIS   5           HB1      HIS   5   8.694  -1.206   3.832
  190    HD1  HIS   5           HD1      HIS   5  10.081  -0.867   1.950
  191    HD2  HIS   5           HD2      HIS   5  11.527   1.197   5.111
  192    HE1  HIS   5           HE1      HIS   5  12.349   0.009   1.267
  193    H    LEU   6           HN       LEU   6   6.400  -1.081   3.183
  194    HA   LEU   6           HA       LEU   6   4.559  -1.058   5.568
  195   1HB   LEU   6           HB2      LEU   6   3.652  -1.300   2.762
  196   2HB   LEU   6           HB1      LEU   6   2.785  -1.213   4.288
  197    HG   LEU   6           HG       LEU   6   4.689   1.010   3.730
  198   1HD1  LEU   6          HD12      LEU   6   1.804   0.785   2.760
  199   2HD1  LEU   6          HD11      LEU   6   2.808   2.223   2.646
  200   3HD1  LEU   6          HD13      LEU   6   3.215   0.795   1.723
  201   1HD2  LEU   6          HD23      LEU   6   2.056   0.792   5.174
  202   2HD2  LEU   6          HD22      LEU   6   3.632   0.763   5.948
  203   3HD2  LEU   6          HD21      LEU   6   3.093   2.209   5.131
  204    H    CYS   7           HN       CYS   7   5.381  -3.105   2.905
  205    HA   CYS   7           HA       CYS   7   5.179  -5.421   2.476
  206   1HB   CYS   7           HB2      CYS   7   6.286  -5.347   5.272
  207   2HB   CYS   7           HB1      CYS   7   6.291  -6.773   4.266
  208    H    GLY   8           HN       GLY   8   4.020  -5.453   5.822
  209   1HA   GLY   8           HA2      GLY   8   1.893  -7.433   4.937
  210   2HA   GLY   8           HA1      GLY   8   2.594  -7.463   6.544
  211    H    SER   9           HN       SER   9   1.116  -6.803   8.034
  212    HA   SER   9           HA       SER   9  -1.387  -5.710   7.734
  213   1HB   SER   9           HB2      SER   9   0.466  -4.756   9.976
  214   2HB   SER   9           HB1      SER   9  -1.284  -4.942  10.002
  215    HG   SER   9           HG1      SER   9  -1.018  -6.998  10.296
  216    H    HIS  10           HN       HIS  10   1.155  -3.524   8.738
  217    HA   HIS  10           HA       HIS  10  -0.091  -1.154   8.244
  218   1HB   HIS  10           HB2      HIS  10   2.362  -1.759   9.149
  219   2HB   HIS  10           HB1      HIS  10   2.852  -1.314   7.512
  220    HD1  HIS  10           HD1      HIS  10   1.187   0.964   6.887
  221    HD2  HIS  10           HD2      HIS  10   2.494   0.404  10.684
  222    HE1  HIS  10           HE1      HIS  10   1.099   3.219   7.998
  223    H    LEU  11           HN       LEU  11   1.108  -3.254   5.793
  224    HA   LEU  11           HA       LEU  11   1.002  -1.234   3.632
  225   1HB   LEU  11           HB2      LEU  11   2.583  -3.380   3.639
  226   2HB   LEU  11           HB1      LEU  11   1.175  -4.355   3.429
  227    HG   LEU  11           HG       LEU  11   1.593  -2.072   1.554
  228   1HD1  LEU  11          HD12      LEU  11   2.979  -4.805   1.401
  229   2HD1  LEU  11          HD11      LEU  11   2.991  -3.605   0.118
  230   3HD1  LEU  11          HD13      LEU  11   3.788  -3.266   1.630
  231   1HD2  LEU  11          HD21      LEU  11  -0.455  -3.697   1.489
  232   2HD2  LEU  11          HD23      LEU  11   0.475  -3.788   0.011
  233   3HD2  LEU  11          HD22      LEU  11   0.667  -5.010   1.259
  234    H    VAL  12           HN       VAL  12  -0.790  -4.180   4.372
  235    HA   VAL  12           HA       VAL  12  -3.016  -3.520   2.641
  236    HB   VAL  12           HB       VAL  12  -4.503  -4.801   4.469
  237   1HG1  VAL  12          HG12      VAL  12  -3.695  -5.853   2.354
  238   2HG1  VAL  12          HG11      VAL  12  -2.164  -6.244   3.129
  239   3HG1  VAL  12          HG13      VAL  12  -3.647  -7.012   3.675
  240   1HG2  VAL  12          HG22      VAL  12  -1.757  -5.589   5.479
  241   2HG2  VAL  12          HG21      VAL  12  -2.978  -4.699   6.369
  242   3HG2  VAL  12          HG23      VAL  12  -3.269  -6.350   5.930
  243    H    GLU  13           HN       GLU  13  -2.874  -2.900   6.225
  244    HA   GLU  13           HA       GLU  13  -4.958  -1.132   6.475
  245   1HB   GLU  13           HB2      GLU  13  -2.144  -0.977   7.566
  246   2HB   GLU  13           HB1      GLU  13  -3.267   0.303   7.956
  247   1HG   GLU  13           HG2      GLU  13  -3.885  -1.019   9.665
  248   2HG   GLU  13           HG1      GLU  13  -4.775  -1.946   8.471
  249    H    ALA  14           HN       ALA  14  -1.752  -0.122   5.512
  250    HA   ALA  14           HA       ALA  14  -2.111   2.466   4.993
  251   1HB   ALA  14           HB1      ALA  14   0.111   1.272   4.360
  252   2HB   ALA  14           HB3      ALA  14  -0.673   0.578   2.980
  253   3HB   ALA  14           HB2      ALA  14  -0.430   2.259   3.023
  254    H    LEU  15           HN       LEU  15  -2.276   0.371   2.272
  255    HA   LEU  15           HA       LEU  15  -3.689   2.344   0.745
  256   1HB   LEU  15           HB2      LEU  15  -3.918  -0.217  -0.546
  257   2HB   LEU  15           HB1      LEU  15  -3.086   1.208  -1.045
  258    HG   LEU  15           HG       LEU  15  -1.259   0.571   0.698
  259   1HD1  LEU  15          HD11      LEU  15  -2.822  -1.341   1.607
  260   2HD1  LEU  15          HD13      LEU  15  -2.668  -2.168   0.124
  261   3HD1  LEU  15          HD12      LEU  15  -1.252  -1.916   1.052
  262   1HD2  LEU  15          HD21      LEU  15  -0.925   0.553  -1.666
  263   2HD2  LEU  15          HD23      LEU  15  -0.125  -0.781  -0.844
  264   3HD2  LEU  15          HD22      LEU  15  -1.554  -1.065  -1.782
  265    OH   TYR  16           OH       TYR  16 -10.586  -5.684   3.764
  266    H    TYR  16           HN       TYR  16  -4.625  -0.678   2.120
  267    HA   TYR  16           HA       TYR  16  -7.189  -0.962   1.317
  268   1HB   TYR  16           HB2      TYR  16  -5.712  -2.378   2.788
  269   2HB   TYR  16           HB1      TYR  16  -6.232  -1.450   4.183
  270    HD1  TYR  16           HD1      TYR  16  -9.291  -1.382   3.407
  271    HD2  TYR  16           HD2      TYR  16  -6.305  -4.397   3.356
  272    HE1  TYR  16           HE1      TYR  16 -10.989  -3.088   3.646
  273    HE2  TYR  16           HE2      TYR  16  -8.008  -6.105   3.602
  274    HH   TYR  16           HH       TYR  16 -11.180  -5.563   3.024
  275    H    LEU  17           HN       LEU  17  -6.242   0.925   4.093
  276    HA   LEU  17           HA       LEU  17  -8.820   1.916   4.533
  277   1HB   LEU  17           HB2      LEU  17  -6.705   1.166   6.025
  278   2HB   LEU  17           HB1      LEU  17  -6.186   2.834   5.773
  279    HG   LEU  17           HG       LEU  17  -8.639   1.874   6.473
  280   1HD1  LEU  17          HD11      LEU  17  -6.368   2.761   8.347
  281   2HD1  LEU  17          HD13      LEU  17  -7.965   2.516   9.030
  282   3HD1  LEU  17          HD12      LEU  17  -7.103   1.167   8.310
  283   1HD2  LEU  17          HD21      LEU  17  -7.435   4.661   6.896
  284   2HD2  LEU  17          HD23      LEU  17  -8.866   4.284   5.953
  285   3HD2  LEU  17          HD22      LEU  17  -8.948   4.264   7.690
  286    H    VAL  18           HN       VAL  18  -5.762   3.419   3.505
  287    HA   VAL  18           HA       VAL  18  -7.029   5.858   3.527
  288    HB   VAL  18           HB       VAL  18  -4.774   4.799   1.716
  289   1HG1  VAL  18          HG12      VAL  18  -5.611   7.733   2.125
  290   2HG1  VAL  18          HG11      VAL  18  -4.212   7.214   1.208
  291   3HG1  VAL  18          HG13      VAL  18  -5.805   6.853   0.628
  292   1HG2  VAL  18          HG21      VAL  18  -4.383   4.958   4.217
  293   2HG2  VAL  18          HG23      VAL  18  -3.357   6.095   3.378
  294   3HG2  VAL  18          HG22      VAL  18  -4.815   6.656   4.167
  295    H    CYS  19           HN       CYS  19  -7.107   3.464   1.108
  296    HA   CYS  19           HA       CYS  19  -9.430   4.731  -0.302
  297   1HB   CYS  19           HB2      CYS  19  -7.157   5.388  -1.203
  298   2HB   CYS  19           HB1      CYS  19  -6.944   3.699  -1.545
  299    H    GLY  20           HN       GLY  20  -7.868   1.915   0.561
  300   1HA   GLY  20           HA2      GLY  20  -8.665  -0.076  -1.131
  301   2HA   GLY  20           HA1      GLY  20  -8.655  -0.316   0.578
  302    H    GLU  21           HN       GLU  21 -10.431   0.552   1.644
  303    HA   GLU  21           HA       GLU  21 -12.541  -0.811   2.089
  304   1HB   GLU  21           HB2      GLU  21 -13.653   1.189   2.852
  305   2HB   GLU  21           HB1      GLU  21 -11.978   1.614   2.757
  306   1HG   GLU  21           HG2      GLU  21 -12.195   2.962   0.813
  307   2HG   GLU  21           HG1      GLU  21 -13.709   2.230   0.318
  308    NH1  ARG  22           NH2      ARG  22 -11.340   2.907  -6.098
  309    NH2  ARG  22           NH1      ARG  22  -9.535   4.014  -5.625
  310    H    ARG  22           HN       ARG  22 -12.587   0.986  -0.783
  311    HA   ARG  22           HA       ARG  22 -15.178   0.113  -1.787
  312   1HB   ARG  22           HB2      ARG  22 -14.712   1.874  -3.447
  313   2HB   ARG  22           HB1      ARG  22 -14.106   2.384  -1.885
  314   1HG   ARG  22           HG2      ARG  22 -11.837   1.590  -2.472
  315   2HG   ARG  22           HG1      ARG  22 -12.382   1.234  -4.091
  316   1HD   ARG  22           HD2      ARG  22 -13.099   3.716  -4.307
  317   2HD   ARG  22           HD1      ARG  22 -12.509   3.926  -2.661
  318    HE   ARG  22           HE       ARG  22 -10.235   3.484  -3.365
  319   1HH1  ARG  22          HH21      ARG  22 -12.180   2.517  -5.759
  320   2HH1  ARG  22          HH22      ARG  22 -11.050   2.877  -7.049
  321   1HH2  ARG  22          HH11      ARG  22  -8.966   4.496  -4.962
  322   2HH2  ARG  22          HH12      ARG  22  -9.258   3.959  -6.576
  323    H    GLY  23           HN       GLY  23 -11.892  -1.033  -2.648
  324   1HA   GLY  23           HA2      GLY  23 -13.184  -3.135  -4.373
  325   2HA   GLY  23           HA1      GLY  23 -11.861  -2.213  -5.065
  326    H    PHE  24           HN       PHE  24 -10.326  -2.004  -3.091
  327    HA   PHE  24           HA       PHE  24  -8.251  -2.904  -2.560
  328   1HB   PHE  24           HB2      PHE  24  -9.813  -2.505  -0.557
  329   2HB   PHE  24           HB1      PHE  24  -9.915  -4.272  -0.451
  330    HD1  PHE  24           HD2      PHE  24  -7.399  -1.526  -1.046
  331    HD2  PHE  24           HD1      PHE  24  -8.119  -5.428   0.486
  332    HE1  PHE  24           HE2      PHE  24  -5.128  -1.674  -0.371
  333    HE2  PHE  24           HE1      PHE  24  -5.768  -5.576   1.165
  334    HZ   PHE  24           HZ       PHE  24  -4.285  -3.638   0.676
  335    OH   TYR  25           OH       TYR  25  -3.414  -2.044  -1.768
  336    H    TYR  25           HN       TYR  25  -7.904  -4.175  -4.277
  337    HA   TYR  25           HA       TYR  25  -7.821  -6.565  -5.242
  338   1HB   TYR  25           HB2      TYR  25  -5.353  -5.999  -5.879
  339   2HB   TYR  25           HB1      TYR  25  -6.551  -4.714  -6.104
  340    HD1  TYR  25           HD2      TYR  25  -3.961  -5.995  -3.787
  341    HD2  TYR  25           HD1      TYR  25  -6.527  -2.770  -4.852
  342    HE1  TYR  25           HE2      TYR  25  -2.784  -4.413  -2.119
  343    HE2  TYR  25           HE1      TYR  25  -5.320  -1.320  -3.185
  344    HH   TYR  25           HH       TYR  25  -3.359  -1.208  -2.245
  345    H    THR  26           HN       THR  26  -7.293  -7.091  -2.100
  346    HA   THR  26           HA       THR  26  -6.070  -8.686  -0.792
  347    HB   THR  26           HB       THR  26  -6.368 -11.023  -1.602
  348    HG1  THR  26           HG1      THR  26  -6.777  -9.497  -3.924
  349   1HG2  THR  26          HG21      THR  26  -8.588  -9.143  -2.549
  350   2HG2  THR  26          HG23      THR  26  -8.773 -10.833  -2.096
  351   3HG2  THR  26          HG22      THR  26  -8.362  -9.630  -0.880
  352    HA   PRO  27           HA       PRO  27  -2.350  -7.053  -3.131
  353   1HB   PRO  27           HB2      PRO  27  -1.306  -8.536  -0.693
  354   2HB   PRO  27           HB1      PRO  27  -0.638  -7.088  -1.467
  355   1HG   PRO  27           HG2      PRO  27  -2.491  -6.959   0.642
  356   2HG   PRO  27           HG1      PRO  27  -2.356  -5.682  -0.558
  357   1HD   PRO  27           HD2      PRO  27  -4.588  -7.442  -0.116
  358   2HD   PRO  27           HD1      PRO  27  -4.456  -6.226  -1.396
  359    H    LYS  28           HN       LYS  28  -0.199  -9.159  -2.330
  360    HA   LYS  28           HA       LYS  28   0.507 -11.401  -3.182
  361   1HB   LYS  28           HB2      LYS  28  -0.897 -10.357  -5.746
  362   2HB   LYS  28           HB1      LYS  28   0.421 -11.446  -5.845
  363   1HG   LYS  28           HG2      LYS  28  -1.781 -12.662  -5.933
  364   2HG   LYS  28           HG1      LYS  28  -0.641 -13.255  -4.765
  365   1HD   LYS  28           HD2      LYS  28  -2.138 -13.073  -3.089
  366   2HD   LYS  28           HD1      LYS  28  -2.299 -11.374  -3.315
  367   1HE   LYS  28           HE2      LYS  28  -3.912 -13.349  -4.978
  368   2HE   LYS  28           HE1      LYS  28  -4.452 -12.779  -3.404
  369   1HZ   LYS  28           HZ2      LYS  28  -3.623 -10.532  -4.806
  370   2HZ   LYS  28           HZ1      LYS  28  -4.655 -11.347  -5.871
  371   3HZ   LYS  28           HZ3      LYS  28  -5.154 -10.898  -4.312
  372    H    THR  29           HN       THR  29   2.591 -11.050  -2.969
  373    HA   THR  29           HA       THR  29   4.312  -9.125  -2.957
  374    HB   THR  29           HB       THR  29   6.133 -10.501  -4.171
  375    HG1  THR  29           HG1      THR  29   4.183 -11.304  -5.321
  376   1HG2  THR  29          HG22      THR  29   4.365 -12.027  -2.229
  377   2HG2  THR  29          HG21      THR  29   6.069 -12.304  -2.565
  378   3HG2  THR  29          HG23      THR  29   5.571 -10.837  -1.730
   
  Start of MODEL          15
 Raw file had  378 H/Q atoms
  Start of MODEL   15
    1   1H    GLY   1           HT3      GLY   1   5.410  -3.116  -7.410
    2   2H    GLY   1           HT2      GLY   1   5.058  -2.931  -9.039
    3   3H    GLY   1           HT1      GLY   1   6.197  -1.947  -8.250
    4   1HA   GLY   1           HA1      GLY   1   4.565  -0.453  -7.657
    5   2HA   GLY   1           HA2      GLY   1   3.346  -1.505  -8.392
    6    H    ILE   2           HN       ILE   2   2.230  -0.647  -6.227
    7    HA   ILE   2           HA       ILE   2   2.483  -0.973  -3.715
    8    HB   ILE   2           HB       ILE   2   0.294  -0.945  -4.708
    9   1HG1  ILE   2          HG12      ILE   2   0.359  -1.871  -2.393
   10   2HG1  ILE   2          HG11      ILE   2  -1.107  -2.116  -3.302
   11   1HG2  ILE   2          HG23      ILE   2   0.676  -3.828  -5.619
   12   2HG2  ILE   2          HG22      ILE   2  -0.807  -2.921  -5.767
   13   3HG2  ILE   2          HG21      ILE   2   0.610  -2.414  -6.659
   14   1HD1  ILE   2           HD1      ILE   2  -0.425  -4.500  -3.758
   15   2HD1  ILE   2           HD3      ILE   2   1.028  -4.278  -2.796
   16   3HD1  ILE   2           HD2      ILE   2  -0.532  -4.150  -2.047
   17    H    VAL   3           HN       VAL   3   2.518  -4.138  -5.149
   18    HA   VAL   3           HA       VAL   3   2.972  -5.442  -2.701
   19    HB   VAL   3           HB       VAL   3   3.846  -6.037  -5.639
   20   1HG1  VAL   3          HG12      VAL   3   4.951  -7.703  -4.118
   21   2HG1  VAL   3          HG11      VAL   3   3.347  -8.157  -3.550
   22   3HG1  VAL   3          HG13      VAL   3   3.801  -8.427  -5.206
   23   1HG2  VAL   3          HG23      VAL   3   1.351  -5.748  -5.366
   24   2HG2  VAL   3          HG22      VAL   3   1.754  -7.393  -5.796
   25   3HG2  VAL   3          HG21      VAL   3   1.358  -6.995  -4.137
   26    H    GLU   4           HN       GLU   4   5.675  -5.768  -4.786
   27    HA   GLU   4           HA       GLU   4   7.494  -5.788  -2.690
   28   1HB   GLU   4           HB2      GLU   4   9.120  -6.045  -4.397
   29   2HB   GLU   4           HB1      GLU   4   7.678  -6.466  -5.283
   30   1HG   GLU   4           HG2      GLU   4   8.995  -3.665  -5.332
   31   2HG   GLU   4           HG1      GLU   4   9.068  -4.840  -6.613
   32    H    GLN   5           HN       GLN   5   5.912  -3.148  -4.405
   33    HA   GLN   5           HA       GLN   5   7.763  -1.103  -3.972
   34   1HB   GLN   5           HB2      GLN   5   5.930  -1.273  -5.418
   35   2HB   GLN   5           HB1      GLN   5   4.820  -0.891  -4.133
   36   1HG   GLN   5           HG2      GLN   5   5.523   1.482  -4.352
   37   2HG   GLN   5           HG1      GLN   5   7.187   1.002  -4.240
   38   1HE2  GLN   5          HE22      GLN   5   7.061   0.388  -7.854
   39   2HE2  GLN   5          HE21      GLN   5   7.290  -0.731  -6.581
   40    H    CYS   6           HN       CYS   6   4.804  -1.839  -2.077
   41    HA   CYS   6           HA       CYS   6   5.622   0.034   0.033
   42   1HB   CYS   6           HB2      CYS   6   3.318  -1.814  -0.495
   43   2HB   CYS   6           HB1      CYS   6   3.606  -1.344   1.146
   44    H    CYS   7           HN       CYS   7   5.884  -3.533  -0.365
   45    HA   CYS   7           HA       CYS   7   6.632  -3.755   2.359
   46   1HB   CYS   7           HB2      CYS   7   5.896  -5.630   1.109
   47   2HB   CYS   7           HB1      CYS   7   7.265  -5.553   0.019
   48    H    THR   8           HN       THR   8   8.741  -3.689  -0.530
   49    HA   THR   8           HA       THR   8  10.985  -2.839   1.307
   50    HB   THR   8           HB       THR   8  11.122  -5.150  -0.166
   51    HG1  THR   8           HG1      THR   8  12.858  -3.135   0.839
   52   1HG2  THR   8          HG22      THR   8  11.464  -3.846  -2.366
   53   2HG2  THR   8          HG21      THR   8  12.860  -3.096  -1.614
   54   3HG2  THR   8          HG23      THR   8  12.833  -4.823  -1.845
   55    H    SER   9           HN       SER   9   9.833  -2.331  -1.969
   56    HA   SER   9           HA       SER   9  11.888  -0.397  -2.376
   57   1HB   SER   9           HB2      SER   9   9.648  -1.270  -4.036
   58   2HB   SER   9           HB1      SER   9  10.954  -0.157  -4.554
   59    HG   SER   9           HG1      SER   9  11.054  -2.822  -4.528
   60    H    ILE  10           HN       ILE  10  10.506   0.498  -0.412
   61    HA   ILE  10           HA       ILE  10   9.341   2.368   0.453
   62    HB   ILE  10           HB       ILE  10  11.274   2.872  -1.432
   63   1HG1  ILE  10          HG12      ILE  10  11.727   4.849  -0.134
   64   2HG1  ILE  10          HG11      ILE  10  10.184   4.643   0.696
   65   1HG2  ILE  10          HG23      ILE  10   9.007   4.787  -1.680
   66   2HG2  ILE  10          HG22      ILE  10  10.643   5.025  -2.324
   67   3HG2  ILE  10          HG21      ILE  10   9.635   3.694  -2.898
   68   1HD1  ILE  10           HD1      ILE  10  12.404   2.501   0.660
   69   2HD1  ILE  10           HD3      ILE  10  12.132   3.560   2.028
   70   3HD1  ILE  10           HD2      ILE  10  10.919   2.415   1.567
   71    H    CYS  11           HN       CYS  11   7.618   3.734   0.602
   72    HA   CYS  11           HA       CYS  11   5.787   4.374  -1.435
   73   1HB   CYS  11           HB2      CYS  11   4.274   2.757  -1.558
   74   2HB   CYS  11           HB1      CYS  11   5.580   1.718  -1.099
   75    H    SER  12           HN       SER  12   3.430   4.414  -0.565
   76    HA   SER  12           HA       SER  12   2.255   4.755   1.653
   77   1HB   SER  12           HB2      SER  12   4.199   6.277   2.579
   78   2HB   SER  12           HB1      SER  12   3.845   7.414   1.271
   79    HG   SER  12           HG1      SER  12   2.591   6.969   3.645
   80    H    LEU  13           HN       LEU  13   1.269   7.353   1.371
   81    HA   LEU  13           HA       LEU  13  -0.980   7.482  -0.042
   82   1HB   LEU  13           HB2      LEU  13   1.121   9.683  -0.462
   83   2HB   LEU  13           HB1      LEU  13  -0.602   9.877  -0.625
   84    HG   LEU  13           HG       LEU  13   0.797   9.115   2.009
   85   1HD1  LEU  13          HD11      LEU  13   1.279  11.457   1.186
   86   2HD1  LEU  13          HD13      LEU  13  -0.441  11.727   1.027
   87   3HD1  LEU  13          HD12      LEU  13   0.253  11.479   2.620
   88   1HD2  LEU  13          HD23      LEU  13  -2.054  10.005   1.364
   89   2HD2  LEU  13          HD22      LEU  13  -1.600   8.373   1.806
   90   3HD2  LEU  13          HD21      LEU  13  -1.437   9.667   2.973
   91    OH   TYR  14           OH       TYR  14   4.226  12.498  -0.589
   92    H    TYR  14           HN       TYR  14   1.581   8.694  -2.032
   93    HA   TYR  14           HA       TYR  14   0.487   8.561  -4.558
   94   1HB   TYR  14           HB2      TYR  14   3.398   7.676  -4.289
   95   2HB   TYR  14           HB1      TYR  14   2.706   8.908  -5.329
   96    HD1  TYR  14           HD1      TYR  14   1.221  10.631  -3.430
   97    HD2  TYR  14           HD2      TYR  14   5.034   8.785  -3.031
   98    HE1  TYR  14           HE1      TYR  14   1.884  12.344  -1.817
   99    HE2  TYR  14           HE2      TYR  14   5.691  10.508  -1.419
  100    HH   TYR  14           HH       TYR  14   4.148  13.298  -1.134
  101    H    GLN  15           HN       GLN  15   2.089   6.008  -2.934
  102    HA   GLN  15           HA       GLN  15   1.925   3.868  -4.895
  103   1HB   GLN  15           HB2      GLN  15   3.354   3.724  -3.042
  104   2HB   GLN  15           HB1      GLN  15   2.047   3.829  -1.891
  105   1HG   GLN  15           HG2      GLN  15   1.842   1.591  -1.886
  106   2HG   GLN  15           HG1      GLN  15   1.114   1.693  -3.449
  107   1HE2  GLN  15          HE22      GLN  15   4.808   0.405  -3.011
  108   2HE2  GLN  15          HE21      GLN  15   3.890   0.954  -1.721
  109    H    LEU  16           HN       LEU  16   0.076   4.462  -1.947
  110    HA   LEU  16           HA       LEU  16  -1.941   2.656  -2.538
  111   1HB   LEU  16           HB2      LEU  16  -2.179   5.369  -0.958
  112   2HB   LEU  16           HB1      LEU  16  -3.445   4.184  -0.941
  113    HG   LEU  16           HG       LEU  16  -1.641   2.496  -0.092
  114   1HD1  LEU  16          HD11      LEU  16  -0.304   5.030   0.676
  115   2HD1  LEU  16          HD13      LEU  16   0.105   3.434   1.290
  116   3HD1  LEU  16          HD12      LEU  16   0.371   3.787  -0.392
  117   1HD2  LEU  16          HD23      LEU  16  -2.592   4.771   1.612
  118   2HD2  LEU  16          HD22      LEU  16  -3.408   3.247   1.251
  119   3HD2  LEU  16          HD21      LEU  16  -1.971   3.254   2.232
  120    H    GLU  17           HN       GLU  17  -2.154   6.111  -3.251
  121    HA   GLU  17           HA       GLU  17  -4.425   6.204  -4.749
  122   1HB   GLU  17           HB2      GLU  17  -1.687   7.596  -5.112
  123   2HB   GLU  17           HB1      GLU  17  -3.124   8.196  -5.915
  124   1HG   GLU  17           HG2      GLU  17  -4.210   8.633  -3.718
  125   2HG   GLU  17           HG1      GLU  17  -2.899   7.867  -2.858
  126    H    ASN  18           HN       ASN  18  -1.273   5.403  -6.064
  127    HA   ASN  18           HA       ASN  18  -2.093   4.750  -8.755
  128   1HB   ASN  18           HB2      ASN  18   0.234   5.397  -8.154
  129   2HB   ASN  18           HB1      ASN  18   0.382   4.009  -7.117
  130   1HD2  ASN  18          HD22      ASN  18   0.307   2.549 -10.790
  131   2HD2  ASN  18          HD21      ASN  18  -1.146   3.079 -10.079
  132    OH   TYR  19           OH       TYR  19   2.996   0.837  -9.155
  133    H    TYR  19           HN       TYR  19  -2.266   2.945  -5.876
  134    HA   TYR  19           HA       TYR  19  -3.229   0.503  -7.303
  135   1HB   TYR  19           HB2      TYR  19  -1.345   0.513  -4.897
  136   2HB   TYR  19           HB1      TYR  19  -1.831  -0.908  -5.803
  137    HD1  TYR  19           HD1      TYR  19  -1.118  -0.857  -8.406
  138    HD2  TYR  19           HD2      TYR  19   0.703   1.531  -5.398
  139    HE1  TYR  19           HE1      TYR  19   0.866  -0.534  -9.813
  140    HE2  TYR  19           HE2      TYR  19   2.650   1.839  -6.808
  141    HH   TYR  19           HH       TYR  19   2.907   1.796  -9.328
  142    H    CYS  20           HN       CYS  20  -4.631   2.488  -6.368
  143    HA   CYS  20           HA       CYS  20  -5.830   1.723  -3.783
  144   1HB   CYS  20           HB2      CYS  20  -5.262   4.008  -3.933
  145   2HB   CYS  20           HB1      CYS  20  -5.694   4.125  -5.608
  146    H    ASN  21           HN       ASN  21  -8.183   1.739  -3.555
  147    HA   ASN  21           HA       ASN  21 -10.239   1.363  -3.990
  148   1HB   ASN  21           HB2      ASN  21  -9.487   1.191  -6.991
  149   2HB   ASN  21           HB1      ASN  21 -11.041   1.687  -6.332
  150   1HD2  ASN  21          HD22      ASN  21  -8.097   4.417  -6.645
  151   2HD2  ASN  21          HD21      ASN  21  -7.945   2.827  -7.244
  152   1H    PHE   1           HT1      PHE   1   4.989  11.409   0.729
  153   2H    PHE   1           HT3      PHE   1   3.878  11.982   1.816
  154   3H    PHE   1           HT2      PHE   1   5.448  12.603   1.833
  155    HA   PHE   1           HA       PHE   1   6.092  10.959   3.309
  156   1HB   PHE   1           HB2      PHE   1   3.728  11.182   4.137
  157   2HB   PHE   1           HB1      PHE   1   3.155  10.155   2.835
  158    HD1  PHE   1           HD2      PHE   1   6.217   8.838   4.350
  159    HD2  PHE   1           HD1      PHE   1   1.983   9.119   4.713
  160    HE1  PHE   1           HE2      PHE   1   6.224   6.878   5.705
  161    HE2  PHE   1           HE1      PHE   1   1.990   7.140   6.108
  162    HZ   PHE   1           HZ       PHE   1   4.117   5.990   6.638
  163    H    VAL   2           HN       VAL   2   7.234   8.589   2.937
  164    HA   VAL   2           HA       VAL   2   6.255   6.966   0.832
  165    HB   VAL   2           HB       VAL   2   6.954   8.806  -0.469
  166   1HG1  VAL   2          HG13      VAL   2   8.727   9.835   1.024
  167   2HG1  VAL   2          HG12      VAL   2   9.760   8.440   0.746
  168   3HG1  VAL   2          HG11      VAL   2   9.385   9.526  -0.567
  169   1HG2  VAL   2          HG23      VAL   2   7.401   6.545  -1.399
  170   2HG2  VAL   2          HG22      VAL   2   8.652   7.647  -1.942
  171   3HG2  VAL   2          HG21      VAL   2   8.978   6.535  -0.631
  172    H    ASN   3           HN       ASN   3   8.830   8.044   2.868
  173    HA   ASN   3           HA       ASN   3  10.157   5.596   2.701
  174   1HB   ASN   3           HB2      ASN   3  11.478   7.694   2.964
  175   2HB   ASN   3           HB1      ASN   3  10.593   8.093   4.426
  176   1HD2  ASN   3          HD22      ASN   3  13.887   6.035   4.845
  177   2HD2  ASN   3          HD21      ASN   3  13.507   6.778   3.358
  178    H    GLN   4           HN       GLN   4  10.743   4.341   4.715
  179    HA   GLN   4           HA       GLN   4  10.308   3.677   7.036
  180   1HB   GLN   4           HB2      GLN   4   7.484   4.331   6.346
  181   2HB   GLN   4           HB1      GLN   4   7.991   3.455   7.779
  182   1HG   GLN   4           HG2      GLN   4   9.225   6.155   7.027
  183   2HG   GLN   4           HG1      GLN   4   7.913   5.979   8.183
  184   1HE2  GLN   4          HE22      GLN   4  11.657   5.341   9.308
  185   2HE2  GLN   4          HE21      GLN   4  11.313   5.757   7.682
  186    H    HIS   5           HN       HIS   5   8.099   2.721   4.547
  187    HA   HIS   5           HA       HIS   5   7.769   0.714   3.404
  188   1HB   HIS   5           HB2      HIS   5   9.329  -0.658   5.619
  189   2HB   HIS   5           HB1      HIS   5   8.773  -1.377   4.109
  190    HD1  HIS   5           HD1      HIS   5   9.911  -0.628   2.033
  191    HD2  HIS   5           HD2      HIS   5  11.537   0.930   5.383
  192    HE1  HIS   5           HE1      HIS   5  12.126   0.362   1.365
  193    H    LEU   6           HN       LEU   6   6.237  -0.940   3.513
  194    HA   LEU   6           HA       LEU   6   4.399  -0.972   5.902
  195   1HB   LEU   6           HB2      LEU   6   3.733  -1.103   3.037
  196   2HB   LEU   6           HB1      LEU   6   2.655  -1.470   4.360
  197    HG   LEU   6           HG       LEU   6   2.807   0.770   5.259
  198   1HD1  LEU   6          HD13      LEU   6   4.623   1.376   2.894
  199   2HD1  LEU   6          HD12      LEU   6   3.858   2.594   3.894
  200   3HD1  LEU   6          HD11      LEU   6   5.024   1.531   4.595
  201   1HD2  LEU   6          HD21      LEU   6   2.257   0.709   2.270
  202   2HD2  LEU   6          HD23      LEU   6   1.111   0.297   3.533
  203   3HD2  LEU   6          HD22      LEU   6   1.679   1.942   3.370
  204    H    CYS   7           HN       CYS   7   4.767  -2.967   3.139
  205    HA   CYS   7           HA       CYS   7   4.637  -5.306   2.750
  206   1HB   CYS   7           HB2      CYS   7   6.830  -4.875   4.205
  207   2HB   CYS   7           HB1      CYS   7   5.950  -5.784   5.404
  208    H    GLY   8           HN       GLY   8   3.918  -7.410   3.631
  209   1HA   GLY   8           HA2      GLY   8   1.697  -8.406   4.133
  210   2HA   GLY   8           HA1      GLY   8   2.531  -8.402   5.670
  211    H    SER   9           HN       SER   9   1.228  -7.709   7.306
  212    HA   SER   9           HA       SER   9  -1.366  -6.696   7.100
  213   1HB   SER   9           HB2      SER   9   0.544  -5.928   9.356
  214   2HB   SER   9           HB1      SER   9  -1.216  -5.938   9.401
  215    HG   SER   9           HG1      SER   9  -1.105  -8.029   9.696
  216    H    HIS  10           HN       HIS  10   1.088  -4.547   8.320
  217    HA   HIS  10           HA       HIS  10  -0.052  -2.136   8.184
  218   1HB   HIS  10           HB2      HIS  10   2.401  -2.670   8.809
  219   2HB   HIS  10           HB1      HIS  10   2.780  -2.656   7.093
  220    HD1  HIS  10           HD1      HIS  10   4.272  -0.468   7.789
  221    HD2  HIS  10           HD2      HIS  10   0.235  -0.038   8.075
  222    HE1  HIS  10           HE1      HIS  10   3.851   1.972   7.930
  223    H    LEU  11           HN       LEU  11   1.381  -3.676   5.441
  224    HA   LEU  11           HA       LEU  11   0.802  -1.666   3.483
  225   1HB   LEU  11           HB2      LEU  11   2.508  -3.543   3.530
  226   2HB   LEU  11           HB1      LEU  11   1.247  -4.669   3.119
  227    HG   LEU  11           HG       LEU  11   1.808  -2.190   1.605
  228   1HD1  LEU  11          HD11      LEU  11   2.953  -5.047   1.206
  229   2HD1  LEU  11          HD13      LEU  11   3.179  -3.791   0.013
  230   3HD1  LEU  11          HD12      LEU  11   3.902  -3.627   1.593
  231   1HD2  LEU  11          HD21      LEU  11  -0.323  -3.539   1.017
  232   2HD2  LEU  11          HD23      LEU  11   0.802  -3.592  -0.314
  233   3HD2  LEU  11          HD22      LEU  11   0.660  -4.955   0.785
  234    H    VAL  12           HN       VAL  12  -0.748  -4.819   3.789
  235    HA   VAL  12           HA       VAL  12  -2.804  -4.208   1.916
  236    HB   VAL  12           HB       VAL  12  -4.113  -6.103   2.919
  237   1HG1  VAL  12          HG13      VAL  12  -2.056  -6.643   1.591
  238   2HG1  VAL  12          HG12      VAL  12  -1.118  -6.665   3.051
  239   3HG1  VAL  12          HG11      VAL  12  -2.363  -7.862   2.812
  240   1HG2  VAL  12          HG21      VAL  12  -3.754  -5.612   5.377
  241   2HG2  VAL  12          HG23      VAL  12  -3.356  -7.265   4.967
  242   3HG2  VAL  12          HG22      VAL  12  -2.080  -6.094   5.173
  243    H    GLU  13           HN       GLU  13  -2.718  -3.770   5.394
  244    HA   GLU  13           HA       GLU  13  -5.281  -2.665   5.885
  245   1HB   GLU  13           HB2      GLU  13  -2.563  -2.018   7.173
  246   2HB   GLU  13           HB1      GLU  13  -4.106  -1.520   7.854
  247   1HG   GLU  13           HG2      GLU  13  -4.828  -3.814   7.949
  248   2HG   GLU  13           HG1      GLU  13  -3.334  -4.350   7.179
  249    H    ALA  14           HN       ALA  14  -2.290  -0.983   5.441
  250    HA   ALA  14           HA       ALA  14  -3.017   1.538   5.306
  251   1HB   ALA  14           HB2      ALA  14  -0.714   0.757   4.776
  252   2HB   ALA  14           HB1      ALA  14  -1.295   0.162   3.227
  253   3HB   ALA  14           HB3      ALA  14  -1.257   1.880   3.508
  254    H    LEU  15           HN       LEU  15  -2.808  -0.360   2.417
  255    HA   LEU  15           HA       LEU  15  -4.124   1.434   0.712
  256   1HB   LEU  15           HB2      LEU  15  -3.704  -1.561   0.706
  257   2HB   LEU  15           HB1      LEU  15  -4.303  -0.639  -0.659
  258    HG   LEU  15           HG       LEU  15  -1.735   0.477   0.631
  259   1HD1  LEU  15          HD13      LEU  15  -1.520  -2.055   0.563
  260   2HD1  LEU  15          HD12      LEU  15  -1.827  -2.012  -1.147
  261   3HD1  LEU  15          HD11      LEU  15  -0.381  -1.246  -0.497
  262   1HD2  LEU  15          HD22      LEU  15  -2.879   1.367  -1.397
  263   2HD2  LEU  15          HD21      LEU  15  -1.161   0.956  -1.577
  264   3HD2  LEU  15          HD23      LEU  15  -2.377  -0.044  -2.280
  265    OH   TYR  16           OH       TYR  16  -8.945  -7.278   2.312
  266    H    TYR  16           HN       TYR  16  -5.382  -1.435   2.313
  267    HA   TYR  16           HA       TYR  16  -7.929  -1.593   1.709
  268   1HB   TYR  16           HB2      TYR  16  -6.351  -2.145   4.079
  269   2HB   TYR  16           HB1      TYR  16  -7.967  -1.767   4.588
  270    HD1  TYR  16           HD2      TYR  16  -9.599  -2.817   2.446
  271    HD2  TYR  16           HD1      TYR  16  -6.077  -4.364   4.223
  272    HE1  TYR  16           HE2      TYR  16 -10.283  -5.022   1.829
  273    HE2  TYR  16           HE1      TYR  16  -6.734  -6.605   3.618
  274    HH   TYR  16           HH       TYR  16  -9.623  -7.166   1.644
  275    H    LEU  17           HN       LEU  17  -6.834   0.584   3.929
  276    HA   LEU  17           HA       LEU  17  -9.455   1.922   4.455
  277   1HB   LEU  17           HB2      LEU  17  -6.836   2.792   5.616
  278   2HB   LEU  17           HB1      LEU  17  -8.442   2.942   6.332
  279    HG   LEU  17           HG       LEU  17  -6.892   0.646   5.640
  280   1HD1  LEU  17          HD13      LEU  17  -7.413   1.873   8.406
  281   2HD1  LEU  17          HD12      LEU  17  -6.602   0.324   8.233
  282   3HD1  LEU  17          HD11      LEU  17  -5.863   1.773   7.580
  283   1HD2  LEU  17          HD21      LEU  17  -9.475   0.818   7.322
  284   2HD2  LEU  17          HD23      LEU  17  -9.321   0.023   5.766
  285   3HD2  LEU  17          HD22      LEU  17  -8.578  -0.687   7.183
  286    H    VAL  18           HN       VAL  18  -6.257   2.891   3.349
  287    HA   VAL  18           HA       VAL  18  -7.174   5.444   3.237
  288    HB   VAL  18           HB       VAL  18  -4.922   4.138   1.787
  289   1HG1  VAL  18          HG11      VAL  18  -5.406   7.166   1.911
  290   2HG1  VAL  18          HG13      VAL  18  -3.933   6.449   1.292
  291   3HG1  VAL  18          HG12      VAL  18  -5.441   6.197   0.453
  292   1HG2  VAL  18          HG21      VAL  18  -4.950   6.083   4.145
  293   2HG2  VAL  18          HG23      VAL  18  -4.667   4.351   4.252
  294   3HG2  VAL  18          HG22      VAL  18  -3.490   5.388   3.472
  295    H    CYS  19           HN       CYS  19  -6.860   2.967   1.137
  296    HA   CYS  19           HA       CYS  19  -8.761   3.793  -0.911
  297   1HB   CYS  19           HB2      CYS  19  -5.862   3.357  -1.146
  298   2HB   CYS  19           HB1      CYS  19  -6.860   2.843  -2.457
  299    H    GLY  20           HN       GLY  20  -9.440   1.815   0.786
  300   1HA   GLY  20           HA2      GLY  20  -9.505  -0.555  -1.056
  301   2HA   GLY  20           HA1      GLY  20  -9.234  -0.853   0.640
  302    H    GLU  21           HN       GLU  21 -11.185   1.474   0.889
  303    HA   GLU  21           HA       GLU  21 -13.501  -0.116   1.197
  304   1HB   GLU  21           HB2      GLU  21 -14.167   2.519   1.992
  305   2HB   GLU  21           HB1      GLU  21 -13.357   1.354   3.022
  306   1HG   GLU  21           HG2      GLU  21 -12.267   3.584   3.040
  307   2HG   GLU  21           HG1      GLU  21 -11.165   2.326   2.575
  308    NH1  ARG  22           NH2      ARG  22 -10.314   5.391  -1.031
  309    NH2  ARG  22           NH1      ARG  22  -9.561   5.547  -3.078
  310    H    ARG  22           HN       ARG  22 -12.456   0.365  -1.402
  311    HA   ARG  22           HA       ARG  22 -14.841   1.283  -2.931
  312   1HB   ARG  22           HB2      ARG  22 -11.949   2.037  -3.412
  313   2HB   ARG  22           HB1      ARG  22 -13.086   2.085  -4.742
  314   1HG   ARG  22           HG2      ARG  22 -13.405   4.297  -4.017
  315   2HG   ARG  22           HG1      ARG  22 -14.478   3.546  -2.845
  316   1HD   ARG  22           HD2      ARG  22 -12.964   4.918  -1.579
  317   2HD   ARG  22           HD1      ARG  22 -12.483   3.250  -1.322
  318    HE   ARG  22           HE       ARG  22 -10.956   3.859  -3.540
  319   1HH1  ARG  22          HH21      ARG  22 -11.026   4.978  -0.464
  320   2HH1  ARG  22          HH22      ARG  22  -9.641   5.968  -0.589
  321   1HH2  ARG  22          HH11      ARG  22  -9.678   5.255  -4.021
  322   2HH2  ARG  22          HH12      ARG  22  -8.836   6.158  -2.798
  323    H    GLY  23           HN       GLY  23 -11.637  -0.506  -3.596
  324   1HA   GLY  23           HA2      GLY  23 -13.327  -2.373  -5.251
  325   2HA   GLY  23           HA1      GLY  23 -11.682  -1.880  -5.635
  326    H    PHE  24           HN       PHE  24 -10.193  -2.457  -4.578
  327    HA   PHE  24           HA       PHE  24  -8.624  -3.320  -3.431
  328   1HB   PHE  24           HB2      PHE  24 -10.639  -3.501  -1.626
  329   2HB   PHE  24           HB1      PHE  24 -10.211  -5.217  -1.699
  330    HD1  PHE  24           HD2      PHE  24  -8.585  -1.919  -1.952
  331    HD2  PHE  24           HD1      PHE  24  -8.299  -5.799  -0.271
  332    HE1  PHE  24           HE2      PHE  24  -6.530  -1.247  -0.925
  333    HE2  PHE  24           HE1      PHE  24  -6.187  -5.143   0.785
  334    HZ   PHE  24           HZ       PHE  24  -5.304  -2.877   0.439
  335    OH   TYR  25           OH       TYR  25  -3.686  -1.661  -2.381
  336    H    TYR  25           HN       TYR  25  -7.374  -4.961  -2.786
  337    HA   TYR  25           HA       TYR  25  -7.483  -7.572  -4.229
  338   1HB   TYR  25           HB2      TYR  25  -5.011  -6.978  -4.932
  339   2HB   TYR  25           HB1      TYR  25  -6.281  -5.997  -5.665
  340    HD1  TYR  25           HD1      TYR  25  -3.685  -6.080  -3.119
  341    HD2  TYR  25           HD2      TYR  25  -6.654  -3.677  -4.985
  342    HE1  TYR  25           HE1      TYR  25  -2.749  -3.962  -1.993
  343    HE2  TYR  25           HE2      TYR  25  -5.663  -1.658  -3.846
  344    HH   TYR  25           HH       TYR  25  -3.878  -0.974  -3.033
  345    H    THR  26           HN       THR  26  -5.647  -9.118  -3.489
  346    HA   THR  26           HA       THR  26  -5.161  -8.868  -0.522
  347    HB   THR  26           HB       THR  26  -5.414 -11.381  -0.412
  348    HG1  THR  26           HG1      THR  26  -4.861 -11.736  -2.526
  349   1HG2  THR  26          HG21      THR  26  -7.463  -9.782  -0.254
  350   2HG2  THR  26          HG23      THR  26  -7.642 -10.016  -1.991
  351   3HG2  THR  26          HG22      THR  26  -7.806 -11.386  -0.907
  352    HA   PRO  27           HA       PRO  27  -0.961  -9.951  -1.907
  353   1HB   PRO  27           HB2      PRO  27   0.182  -7.630  -2.309
  354   2HB   PRO  27           HB1      PRO  27  -1.250  -8.023  -3.284
  355   1HG   PRO  27           HG2      PRO  27  -1.160  -6.368  -0.662
  356   2HG   PRO  27           HG1      PRO  27  -1.959  -5.937  -2.163
  357   1HD   PRO  27           HD2      PRO  27  -3.129  -7.366   0.100
  358   2HD   PRO  27           HD1      PRO  27  -3.901  -7.142  -1.463
  359    H    LYS  28           HN       LYS  28   1.266  -9.313  -1.028
  360    HA   LYS  28           HA       LYS  28   1.368  -8.590   1.739
  361   1HB   LYS  28           HB2      LYS  28   2.255 -10.645   2.599
  362   2HB   LYS  28           HB1      LYS  28   1.016 -11.182   1.508
  363   1HG   LYS  28           HG2      LYS  28   3.974 -11.033   0.755
  364   2HG   LYS  28           HG1      LYS  28   3.218 -12.461   1.426
  365   1HD   LYS  28           HD2      LYS  28   1.562 -12.482  -0.445
  366   2HD   LYS  28           HD1      LYS  28   2.321 -11.108  -1.175
  367   1HE   LYS  28           HE2      LYS  28   3.520 -13.899  -0.856
  368   2HE   LYS  28           HE1      LYS  28   3.099 -13.073  -2.354
  369   1HZ   LYS  28           HZ1      LYS  28   4.824 -11.355  -0.978
  370   2HZ   LYS  28           HZ3      LYS  28   5.637 -12.828  -1.032
  371   3HZ   LYS  28           HZ2      LYS  28   5.054 -11.974  -2.376
  372    H    THR  29           HN       THR  29   2.888  -9.377  -1.063
  373    HA   THR  29           HA       THR  29   4.545  -7.654  -2.027
  374    HB   THR  29           HB       THR  29   5.763  -7.237   0.045
  375    HG1  THR  29           HG1      THR  29   6.959  -8.630  -2.035
  376   1HG2  THR  29          HG22      THR  29   5.800  -9.601   1.082
  377   2HG2  THR  29          HG21      THR  29   6.904 -10.072  -0.216
  378   3HG2  THR  29          HG23      THR  29   7.372  -8.844   0.932
   
  Start of MODEL          16
 Raw file had  378 H/Q atoms
  Start of MODEL   16
    1   1H    GLY   1           HT3      GLY   1   7.468  -5.872  -7.652
    2   2H    GLY   1           HT2      GLY   1   7.310  -7.318  -8.430
    3   3H    GLY   1           HT1      GLY   1   7.489  -5.914  -9.350
    4   1HA   GLY   1           HA1      GLY   1   5.183  -5.751  -9.389
    5   2HA   GLY   1           HA2      GLY   1   5.104  -7.162  -8.348
    6    H    ILE   2           HN       ILE   2   3.143  -5.242  -8.056
    7    HA   ILE   2           HA       ILE   2   3.373  -3.075  -6.419
    8    HB   ILE   2           HB       ILE   2   1.244  -3.708  -7.308
    9   1HG1  ILE   2          HG12      ILE   2   0.978  -4.034  -4.280
   10   2HG1  ILE   2          HG11      ILE   2   1.336  -2.511  -5.053
   11   1HG2  ILE   2          HG21      ILE   2   1.508  -6.249  -7.214
   12   2HG2  ILE   2          HG23      ILE   2   1.252  -6.188  -5.480
   13   3HG2  ILE   2          HG22      ILE   2  -0.019  -5.713  -6.569
   14   1HD1  ILE   2           HD2      ILE   2  -1.174  -4.174  -5.585
   15   2HD1  ILE   2           HD1      ILE   2  -1.081  -2.718  -4.615
   16   3HD1  ILE   2           HD3      ILE   2  -0.778  -2.632  -6.337
   17    H    VAL   3           HN       VAL   3   2.921  -6.252  -4.779
   18    HA   VAL   3           HA       VAL   3   3.216  -5.026  -2.215
   19    HB   VAL   3           HB       VAL   3   3.714  -7.922  -3.147
   20   1HG1  VAL   3          HG11      VAL   3   3.175  -6.852  -0.329
   21   2HG1  VAL   3          HG13      VAL   3   3.310  -8.531  -0.822
   22   3HG1  VAL   3          HG12      VAL   3   4.719  -7.482  -0.885
   23   1HG2  VAL   3          HG22      VAL   3   1.337  -6.570  -1.797
   24   2HG2  VAL   3          HG21      VAL   3   1.378  -7.028  -3.489
   25   3HG2  VAL   3          HG23      VAL   3   1.414  -8.267  -2.254
   26    H    GLU   4           HN       GLU   4   5.711  -7.245  -3.379
   27    HA   GLU   4           HA       GLU   4   7.814  -6.544  -1.812
   28   1HB   GLU   4           HB2      GLU   4   9.193  -7.033  -3.933
   29   2HB   GLU   4           HB1      GLU   4   7.886  -8.180  -3.673
   30   1HG   GLU   4           HG2      GLU   4   6.389  -6.587  -5.096
   31   2HG   GLU   4           HG1      GLU   4   7.869  -5.755  -5.519
   32    H    GLN   5           HN       GLN   5   6.589  -4.527  -4.540
   33    HA   GLN   5           HA       GLN   5   8.411  -2.377  -4.436
   34   1HB   GLN   5           HB2      GLN   5   6.612  -3.012  -6.153
   35   2HB   GLN   5           HB1      GLN   5   5.444  -2.211  -5.116
   36   1HG   GLN   5           HG2      GLN   5   7.965  -0.820  -6.142
   37   2HG   GLN   5           HG1      GLN   5   6.445  -0.805  -7.021
   38   1HE2  GLN   5          HE22      GLN   5   6.771   1.447  -3.820
   39   2HE2  GLN   5          HE21      GLN   5   8.056   0.349  -4.148
   40    H    CYS   6           HN       CYS   6   5.195  -2.412  -2.863
   41    HA   CYS   6           HA       CYS   6   5.845  -0.179  -1.116
   42   1HB   CYS   6           HB2      CYS   6   3.719  -2.281  -1.299
   43   2HB   CYS   6           HB1      CYS   6   3.826  -1.460   0.239
   44    H    CYS   7           HN       CYS   7   5.958  -3.549  -0.493
   45    HA   CYS   7           HA       CYS   7   6.625  -3.734   2.174
   46   1HB   CYS   7           HB2      CYS   7   6.041  -5.472   0.682
   47   2HB   CYS   7           HB1      CYS   7   7.520  -5.253  -0.213
   48    H    THR   8           HN       THR   8   8.933  -3.254  -0.409
   49    HA   THR   8           HA       THR   8  11.070  -2.567   1.620
   50    HB   THR   8           HB       THR   8  11.439  -3.520  -1.279
   51    HG1  THR   8           HG1      THR   8  11.005  -4.671   1.069
   52   1HG2  THR   8          HG22      THR   8  13.409  -3.118   1.039
   53   2HG2  THR   8          HG21      THR   8  13.807  -3.670  -0.579
   54   3HG2  THR   8          HG23      THR   8  13.341  -1.997  -0.308
   55    H    SER   9           HN       SER   9   9.555  -1.256  -1.292
   56    HA   SER   9           HA       SER   9  11.375   0.916  -1.454
   57   1HB   SER   9           HB2      SER   9   8.579   1.012  -2.544
   58   2HB   SER   9           HB1      SER   9   9.993   1.867  -3.174
   59    HG   SER   9           HG1      SER   9   9.577  -0.951  -3.176
   60    H    ILE  10           HN       ILE  10  10.026   3.211  -1.679
   61    HA   ILE  10           HA       ILE  10   9.083   3.726   0.956
   62    HB   ILE  10           HB       ILE  10  10.388   5.123  -1.158
   63   1HG1  ILE  10          HG12      ILE  10  11.610   6.057   0.893
   64   2HG1  ILE  10          HG11      ILE  10  10.520   5.076   1.851
   65   1HG2  ILE  10          HG21      ILE  10   8.843   6.512   0.997
   66   2HG2  ILE  10          HG23      ILE  10  10.000   7.325  -0.056
   67   3HG2  ILE  10          HG22      ILE  10   8.497   6.697  -0.725
   68   1HD1  ILE  10           HD1      ILE  10  12.408   3.900  -0.228
   69   2HD1  ILE  10           HD3      ILE  10  12.673   3.954   1.506
   70   3HD1  ILE  10           HD2      ILE  10  11.330   3.036   0.858
   71    H    CYS  11           HN       CYS  11   7.146   2.993   0.945
   72    HA   CYS  11           HA       CYS  11   5.044   4.038  -0.887
   73   1HB   CYS  11           HB2      CYS  11   5.355   1.770  -1.149
   74   2HB   CYS  11           HB1      CYS  11   5.534   1.465   0.541
   75    H    SER  12           HN       SER  12   2.914   3.455   0.022
   76    HA   SER  12           HA       SER  12   1.347   3.552   1.957
   77   1HB   SER  12           HB2      SER  12   2.919   4.864   3.442
   78   2HB   SER  12           HB1      SER  12   2.868   6.228   2.335
   79    HG   SER  12           HG1      SER  12   1.084   5.598   4.264
   80    H    LEU  13           HN       LEU  13   0.867   6.634   1.600
   81    HA   LEU  13           HA       LEU  13  -1.300   6.725  -0.114
   82   1HB   LEU  13           HB2      LEU  13   0.643   9.031   0.230
   83   2HB   LEU  13           HB1      LEU  13  -0.878   9.100  -0.587
   84    HG   LEU  13           HG       LEU  13  -2.172   8.566   1.311
   85   1HD1  LEU  13          HD12      LEU  13   0.436   8.496   2.907
   86   2HD1  LEU  13          HD11      LEU  13  -1.180   8.489   3.587
   87   3HD1  LEU  13          HD13      LEU  13  -0.656   7.146   2.616
   88   1HD2  LEU  13          HD23      LEU  13  -0.160  10.786   1.848
   89   2HD2  LEU  13          HD22      LEU  13  -1.619  10.886   0.872
   90   3HD2  LEU  13          HD21      LEU  13  -1.741  10.632   2.601
   91    OH   TYR  14           OH       TYR  14   4.823  12.623  -0.842
   92    H    TYR  14           HN       TYR  14   1.762   8.015  -1.349
   93    HA   TYR  14           HA       TYR  14   1.193   8.361  -4.055
   94   1HB   TYR  14           HB2      TYR  14   3.753   7.011  -2.974
   95   2HB   TYR  14           HB1      TYR  14   3.613   7.868  -4.497
   96    HD1  TYR  14           HD1      TYR  14   1.627   9.939  -2.598
   97    HD2  TYR  14           HD2      TYR  14   5.682   8.648  -2.788
   98    HE1  TYR  14           HE1      TYR  14   2.325  11.976  -1.480
   99    HE2  TYR  14           HE2      TYR  14   6.366  10.707  -1.669
  100    HH   TYR  14           HH       TYR  14   4.846  13.244  -1.589
  101    H    GLN  15           HN       GLN  15   2.036   5.489  -2.553
  102    HA   GLN  15           HA       GLN  15   1.706   3.613  -4.752
  103   1HB   GLN  15           HB2      GLN  15   2.213   3.689  -1.828
  104   2HB   GLN  15           HB1      GLN  15   1.318   2.267  -2.288
  105   1HG   GLN  15           HG2      GLN  15   3.666   1.636  -2.586
  106   2HG   GLN  15           HG1      GLN  15   3.220   2.076  -4.199
  107   1HE2  GLN  15          HE22      GLN  15   5.249   5.127  -3.105
  108   2HE2  GLN  15          HE21      GLN  15   3.535   5.031  -3.082
  109    H    LEU  16           HN       LEU  16  -0.678   3.594  -1.773
  110    HA   LEU  16           HA       LEU  16  -2.906   3.042  -2.947
  111   1HB   LEU  16           HB2      LEU  16  -2.375   5.625  -1.378
  112   2HB   LEU  16           HB1      LEU  16  -3.947   5.386  -1.921
  113    HG   LEU  16           HG       LEU  16  -2.889   3.005  -0.763
  114   1HD1  LEU  16          HD11      LEU  16  -2.812   5.613   0.798
  115   2HD1  LEU  16          HD13      LEU  16  -2.589   4.093   1.617
  116   3HD1  LEU  16          HD12      LEU  16  -1.460   4.607   0.409
  117   1HD2  LEU  16          HD22      LEU  16  -5.147   4.968  -0.363
  118   2HD2  LEU  16          HD21      LEU  16  -5.165   3.508  -1.306
  119   3HD2  LEU  16          HD23      LEU  16  -5.092   3.436   0.430
  120    H    GLU  17           HN       GLU  17  -2.102   6.432  -3.478
  121    HA   GLU  17           HA       GLU  17  -4.136   6.976  -5.178
  122   1HB   GLU  17           HB2      GLU  17  -1.188   7.888  -5.771
  123   2HB   GLU  17           HB1      GLU  17  -2.614   8.876  -6.038
  124   1HG   GLU  17           HG2      GLU  17  -1.085   8.402  -3.491
  125   2HG   GLU  17           HG1      GLU  17  -1.773   9.869  -4.113
  126    H    ASN  18           HN       ASN  18  -1.026   5.755  -6.138
  127    HA   ASN  18           HA       ASN  18  -1.818   4.962  -8.879
  128   1HB   ASN  18           HB2      ASN  18   0.663   4.453  -7.370
  129   2HB   ASN  18           HB1      ASN  18   0.404   4.122  -9.069
  130   1HD2  ASN  18          HD22      ASN  18   0.016   8.037  -8.618
  131   2HD2  ASN  18          HD21      ASN  18  -1.214   7.006  -8.031
  132    OH   TYR  19           OH       TYR  19   3.691  -0.751  -7.076
  133    H    TYR  19           HN       TYR  19  -2.238   3.474  -5.892
  134    HA   TYR  19           HA       TYR  19  -2.550   0.653  -6.811
  135   1HB   TYR  19           HB2      TYR  19  -1.125   1.701  -4.344
  136   2HB   TYR  19           HB1      TYR  19  -1.672   0.052  -4.413
  137    HD1  TYR  19           HD2      TYR  19  -0.603   0.449  -7.681
  138    HD2  TYR  19           HD1      TYR  19   0.929   0.364  -3.710
  139    HE1  TYR  19           HE2      TYR  19   1.570  -0.256  -8.513
  140    HE2  TYR  19           HE1      TYR  19   3.087  -0.340  -4.564
  141    HH   TYR  19           HH       TYR  19   4.271  -0.169  -6.566
  142    H    CYS  20           HN       CYS  20  -4.530   2.930  -5.872
  143    HA   CYS  20           HA       CYS  20  -5.880   1.576  -3.637
  144   1HB   CYS  20           HB2      CYS  20  -6.063   4.006  -3.885
  145   2HB   CYS  20           HB1      CYS  20  -6.573   3.850  -5.539
  146    H    ASN  21           HN       ASN  21  -8.336   1.098  -4.013
  147    HA   ASN  21           HA       ASN  21  -9.990  -0.127  -5.045
  148   1HB   ASN  21           HB2      ASN  21  -8.299  -0.236  -7.609
  149   2HB   ASN  21           HB1      ASN  21 -10.041  -0.204  -7.492
  150   1HD2  ASN  21          HD22      ASN  21  -8.065   3.291  -7.662
  151   2HD2  ASN  21          HD21      ASN  21  -7.213   1.812  -7.639
  152   1H    PHE   1           HT3      PHE   1   6.599  12.169   2.165
  153   2H    PHE   1           HT2      PHE   1   5.510  12.447   0.870
  154   3H    PHE   1           HT1      PHE   1   5.933  13.701   1.902
  155    HA   PHE   1           HA       PHE   1   4.152  13.224   3.145
  156   1HB   PHE   1           HB2      PHE   1   2.683  11.311   2.566
  157   2HB   PHE   1           HB1      PHE   1   3.186  12.098   1.100
  158    HD1  PHE   1           HD2      PHE   1   6.161  10.530   1.173
  159    HD2  PHE   1           HD1      PHE   1   2.059   9.432   1.420
  160    HE1  PHE   1           HE2      PHE   1   6.683   8.343   0.269
  161    HE2  PHE   1           HE1      PHE   1   2.630   7.227   0.488
  162    HZ   PHE   1           HZ       PHE   1   4.957   6.689  -0.068
  163    H    VAL   2           HN       VAL   2   4.371   9.720   3.384
  164    HA   VAL   2           HA       VAL   2   5.582  10.051   6.107
  165    HB   VAL   2           HB       VAL   2   3.235   9.162   5.988
  166   1HG1  VAL   2          HG13      VAL   2   3.384   8.057   3.723
  167   2HG1  VAL   2          HG12      VAL   2   4.495   6.868   4.388
  168   3HG1  VAL   2          HG11      VAL   2   2.842   6.946   4.958
  169   1HG2  VAL   2          HG23      VAL   2   4.744   8.311   7.789
  170   2HG2  VAL   2          HG22      VAL   2   3.611   7.075   7.284
  171   3HG2  VAL   2          HG21      VAL   2   5.274   7.008   6.745
  172    H    ASN   3           HN       ASN   3   5.938   8.792   3.079
  173    HA   ASN   3           HA       ASN   3   7.174   7.052   2.198
  174   1HB   ASN   3           HB2      ASN   3   9.636   8.402   2.251
  175   2HB   ASN   3           HB1      ASN   3   8.301   8.925   1.264
  176   1HD2  ASN   3          HD22      ASN   3   9.279  11.042   4.535
  177   2HD2  ASN   3          HD21      ASN   3   9.910   9.472   4.333
  178    H    GLN   4           HN       GLN   4   7.052   5.266   3.669
  179    HA   GLN   4           HA       GLN   4   9.723   4.328   4.510
  180   1HB   GLN   4           HB2      GLN   4   7.124   4.280   6.104
  181   2HB   GLN   4           HB1      GLN   4   8.548   3.338   6.545
  182   1HG   GLN   4           HG2      GLN   4   9.881   5.256   7.020
  183   2HG   GLN   4           HG1      GLN   4   8.796   6.362   6.214
  184   1HE2  GLN   4          HE22      GLN   4   7.046   6.975   9.083
  185   2HE2  GLN   4          HE21      GLN   4   7.433   7.400   7.466
  186    H    HIS   5           HN       HIS   5   8.504   1.868   5.435
  187    HA   HIS   5           HA       HIS   5   7.729   0.800   2.879
  188   1HB   HIS   5           HB2      HIS   5   9.138  -0.989   4.810
  189   2HB   HIS   5           HB1      HIS   5   9.062  -0.971   3.044
  190    HD1  HIS   5           HD1      HIS   5  10.425   0.729   1.856
  191    HD2  HIS   5           HD2      HIS   5  10.850   0.833   5.849
  192    HE1  HIS   5           HE1      HIS   5  12.377   2.178   2.267
  193    H    LEU   6           HN       LEU   6   6.233  -0.705   2.590
  194    HA   LEU   6           HA       LEU   6   4.579  -1.697   4.885
  195   1HB   LEU   6           HB2      LEU   6   3.365  -0.751   2.321
  196   2HB   LEU   6           HB1      LEU   6   2.624  -1.284   3.814
  197    HG   LEU   6           HG       LEU   6   3.650   0.682   5.004
  198   1HD1  LEU   6          HD13      LEU   6   5.313   1.334   3.107
  199   2HD1  LEU   6          HD12      LEU   6   3.925   1.612   2.119
  200   3HD1  LEU   6          HD11      LEU   6   4.219   2.617   3.521
  201   1HD2  LEU   6          HD22      LEU   6   1.728   1.047   2.675
  202   2HD2  LEU   6          HD21      LEU   6   1.314   0.428   4.267
  203   3HD2  LEU   6          HD23      LEU   6   1.816   2.105   4.086
  204    H    CYS   7           HN       CYS   7   5.022  -3.899   4.884
  205    HA   CYS   7           HA       CYS   7   4.736  -5.243   2.344
  206   1HB   CYS   7           HB2      CYS   7   6.739  -5.539   4.055
  207   2HB   CYS   7           HB1      CYS   7   5.640  -6.640   4.861
  208    H    GLY   8           HN       GLY   8   3.657  -7.569   2.787
  209   1HA   GLY   8           HA2      GLY   8   1.169  -8.067   2.792
  210   2HA   GLY   8           HA1      GLY   8   1.863  -8.695   4.269
  211    H    SER   9           HN       SER   9   1.319  -7.731   6.213
  212    HA   SER   9           HA       SER   9  -1.277  -6.636   6.551
  213   1HB   SER   9           HB2      SER   9  -0.336  -5.930   8.887
  214   2HB   SER   9           HB1      SER   9  -0.207  -7.640   8.502
  215    HG   SER   9           HG1      SER   9   1.746  -6.103   9.123
  216    H    HIS  10           HN       HIS  10   1.478  -4.874   7.439
  217    HA   HIS  10           HA       HIS  10   0.605  -2.315   7.681
  218   1HB   HIS  10           HB2      HIS  10   3.132  -3.373   7.649
  219   2HB   HIS  10           HB1      HIS  10   3.173  -2.658   6.045
  220    HD1  HIS  10           HD1      HIS  10   4.755  -0.591   6.794
  221    HD2  HIS  10           HD2      HIS  10   1.341  -0.975   9.039
  222    HE1  HIS  10           HE1      HIS  10   4.593   1.416   8.184
  223    H    LEU  11           HN       LEU  11   1.516  -3.720   4.698
  224    HA   LEU  11           HA       LEU  11   0.952  -1.592   2.878
  225   1HB   LEU  11           HB2      LEU  11   2.268  -3.805   2.580
  226   2HB   LEU  11           HB1      LEU  11   0.741  -4.585   2.315
  227    HG   LEU  11           HG       LEU  11   1.598  -2.153   0.793
  228   1HD1  LEU  11          HD12      LEU  11   1.841  -5.124   0.042
  229   2HD1  LEU  11          HD11      LEU  11   2.212  -3.776  -1.029
  230   3HD1  LEU  11          HD13      LEU  11   3.212  -4.079   0.374
  231   1HD2  LEU  11          HD21      LEU  11  -0.430  -4.334   0.216
  232   2HD2  LEU  11          HD23      LEU  11  -0.755  -2.658   0.598
  233   3HD2  LEU  11          HD22      LEU  11   0.004  -3.052  -0.909
  234    H    VAL  12           HN       VAL  12  -1.003  -4.491   3.285
  235    HA   VAL  12           HA       VAL  12  -3.184  -3.363   1.851
  236    HB   VAL  12           HB       VAL  12  -4.592  -5.173   2.850
  237   1HG1  VAL  12          HG11      VAL  12  -3.068  -5.767   1.006
  238   2HG1  VAL  12          HG13      VAL  12  -1.786  -6.120   2.152
  239   3HG1  VAL  12          HG12      VAL  12  -3.216  -7.133   2.109
  240   1HG2  VAL  12          HG21      VAL  12  -2.209  -5.814   4.622
  241   2HG2  VAL  12          HG23      VAL  12  -3.746  -5.227   5.204
  242   3HG2  VAL  12          HG22      VAL  12  -3.632  -6.810   4.476
  243    H    GLU  13           HN       GLU  13  -2.729  -3.593   5.372
  244    HA   GLU  13           HA       GLU  13  -5.012  -2.260   6.258
  245   1HB   GLU  13           HB2      GLU  13  -2.187  -2.583   7.192
  246   2HB   GLU  13           HB1      GLU  13  -3.050  -1.259   7.949
  247   1HG   GLU  13           HG2      GLU  13  -4.699  -2.647   8.825
  248   2HG   GLU  13           HG1      GLU  13  -4.399  -3.946   7.681
  249    H    ALA  14           HN       ALA  14  -1.981  -0.654   5.728
  250    HA   ALA  14           HA       ALA  14  -2.801   1.971   5.891
  251   1HB   ALA  14           HB3      ALA  14  -0.534   1.179   5.754
  252   2HB   ALA  14           HB2      ALA  14  -0.824   0.675   4.082
  253   3HB   ALA  14           HB1      ALA  14  -0.817   2.403   4.485
  254    H    LEU  15           HN       LEU  15  -2.358   0.403   2.611
  255    HA   LEU  15           HA       LEU  15  -3.644   2.593   1.423
  256   1HB   LEU  15           HB2      LEU  15  -2.000   1.709   0.153
  257   2HB   LEU  15           HB1      LEU  15  -2.051   0.229   0.950
  258    HG   LEU  15           HG       LEU  15  -3.642  -0.364   0.127
  259   1HD1  LEU  15          HD12      LEU  15  -5.261   1.286  -0.789
  260   2HD1  LEU  15          HD11      LEU  15  -4.079   1.852  -1.917
  261   3HD1  LEU  15          HD13      LEU  15  -4.821   0.308  -2.142
  262   1HD2  LEU  15          HD22      LEU  15  -1.543  -0.836  -1.086
  263   2HD2  LEU  15          HD21      LEU  15  -2.706  -0.687  -2.401
  264   3HD2  LEU  15          HD23      LEU  15  -1.714   0.679  -1.950
  265    OH   TYR  16           OH       TYR  16 -12.568  -2.116   3.418
  266    H    TYR  16           HN       TYR  16  -4.851  -0.158   3.091
  267    HA   TYR  16           HA       TYR  16  -7.310  -0.163   1.794
  268   1HB   TYR  16           HB2      TYR  16  -6.553  -2.136   3.131
  269   2HB   TYR  16           HB1      TYR  16  -6.652  -1.178   4.617
  270    HD1  TYR  16           HD2      TYR  16  -8.402  -2.685   1.889
  271    HD2  TYR  16           HD1      TYR  16  -8.870  -0.414   5.411
  272    HE1  TYR  16           HE2      TYR  16 -10.763  -3.013   1.743
  273    HE2  TYR  16           HE1      TYR  16 -11.246  -0.707   5.314
  274    HH   TYR  16           HH       TYR  16 -12.985  -1.587   4.125
  275    H    LEU  17           HN       LEU  17  -6.193   1.381   4.607
  276    HA   LEU  17           HA       LEU  17  -8.732   2.557   5.310
  277   1HB   LEU  17           HB2      LEU  17  -7.272   3.776   7.138
  278   2HB   LEU  17           HB1      LEU  17  -7.295   2.010   7.166
  279    HG   LEU  17           HG       LEU  17  -5.417   2.146   5.736
  280   1HD1  LEU  17          HD11      LEU  17  -5.327   4.697   5.454
  281   2HD1  LEU  17          HD13      LEU  17  -5.202   4.866   7.181
  282   3HD1  LEU  17          HD12      LEU  17  -3.869   4.180   6.264
  283   1HD2  LEU  17          HD22      LEU  17  -5.289   2.847   8.688
  284   2HD2  LEU  17          HD21      LEU  17  -5.337   1.242   7.970
  285   3HD2  LEU  17          HD23      LEU  17  -3.899   2.223   7.815
  286    H    VAL  18           HN       VAL  18  -5.838   3.604   3.622
  287    HA   VAL  18           HA       VAL  18  -6.663   6.350   3.361
  288    HB   VAL  18           HB       VAL  18  -4.800   4.725   1.814
  289   1HG1  VAL  18          HG12      VAL  18  -5.758   6.721   0.337
  290   2HG1  VAL  18          HG11      VAL  18  -5.355   7.801   1.632
  291   3HG1  VAL  18          HG13      VAL  18  -4.103   7.041   0.696
  292   1HG2  VAL  18          HG23      VAL  18  -4.336   6.949   3.757
  293   2HG2  VAL  18          HG22      VAL  18  -3.980   5.232   3.967
  294   3HG2  VAL  18          HG21      VAL  18  -3.088   6.178   2.798
  295    H    CYS  19           HN       CYS  19  -6.895   3.665   1.050
  296    HA   CYS  19           HA       CYS  19  -9.402   4.797  -0.145
  297   1HB   CYS  19           HB2      CYS  19  -7.218   5.721  -1.209
  298   2HB   CYS  19           HB1      CYS  19  -6.993   4.092  -1.774
  299    H    GLY  20           HN       GLY  20  -8.838   2.552   1.474
  300   1HA   GLY  20           HA2      GLY  20  -8.815   0.217  -0.285
  301   2HA   GLY  20           HA1      GLY  20  -9.065   0.121   1.444
  302    H    GLU  21           HN       GLU  21 -10.931   0.962   2.264
  303    HA   GLU  21           HA       GLU  21 -13.165  -0.556   1.721
  304   1HB   GLU  21           HB2      GLU  21 -12.394   1.199   3.621
  305   2HB   GLU  21           HB1      GLU  21 -13.517   2.248   2.791
  306   1HG   GLU  21           HG2      GLU  21 -15.359   1.051   3.547
  307   2HG   GLU  21           HG1      GLU  21 -14.606  -0.517   3.345
  308    NH1  ARG  22           NH1      ARG  22 -10.978   3.951  -4.632
  309    NH2  ARG  22           NH2      ARG  22 -10.573   1.919  -3.863
  310    H    ARG  22           HN       ARG  22 -12.898  -0.422  -0.546
  311    HA   ARG  22           HA       ARG  22 -15.062   0.797  -2.002
  312   1HB   ARG  22           HB2      ARG  22 -13.368   2.668  -1.603
  313   2HB   ARG  22           HB1      ARG  22 -12.214   1.760  -2.488
  314   1HG   ARG  22           HG2      ARG  22 -14.886   2.835  -3.530
  315   2HG   ARG  22           HG1      ARG  22 -13.398   3.721  -3.656
  316   1HD   ARG  22           HD2      ARG  22 -13.769   0.981  -4.983
  317   2HD   ARG  22           HD1      ARG  22 -14.142   2.484  -5.791
  318    HE   ARG  22           HE       ARG  22 -11.663   1.977  -6.246
  319   1HH1  ARG  22          HH11      ARG  22 -11.528   4.481  -5.258
  320   2HH1  ARG  22          HH12      ARG  22 -10.287   4.357  -4.042
  321   1HH2  ARG  22          HH21      ARG  22 -10.832   0.975  -3.969
  322   2HH2  ARG  22          HH22      ARG  22  -9.880   2.210  -3.207
  323    H    GLY  23           HN       GLY  23 -11.718  -0.673  -2.529
  324   1HA   GLY  23           HA2      GLY  23 -13.049  -2.805  -4.222
  325   2HA   GLY  23           HA1      GLY  23 -11.583  -1.992  -4.803
  326    H    PHE  24           HN       PHE  24  -9.867  -2.395  -3.989
  327    HA   PHE  24           HA       PHE  24  -8.168  -2.799  -2.676
  328   1HB   PHE  24           HB2      PHE  24 -10.066  -3.234  -0.788
  329   2HB   PHE  24           HB1      PHE  24  -9.328  -4.837  -0.811
  330    HD1  PHE  24           HD2      PHE  24  -8.351  -1.262  -1.291
  331    HD2  PHE  24           HD1      PHE  24  -7.253  -4.956   0.536
  332    HE1  PHE  24           HE2      PHE  24  -6.462  -0.218  -0.368
  333    HE2  PHE  24           HE1      PHE  24  -5.305  -3.871   1.450
  334    HZ   PHE  24           HZ       PHE  24  -4.897  -1.536   1.027
  335    OH   TYR  25           OH       TYR  25  -2.776  -2.732  -0.264
  336    H    TYR  25           HN       TYR  25  -7.125  -3.705  -4.278
  337    HA   TYR  25           HA       TYR  25  -6.625  -6.036  -5.459
  338   1HB   TYR  25           HB2      TYR  25  -4.231  -5.280  -5.616
  339   2HB   TYR  25           HB1      TYR  25  -5.343  -3.906  -5.692
  340    HD1  TYR  25           HD1      TYR  25  -5.713  -2.472  -3.673
  341    HD2  TYR  25           HD2      TYR  25  -2.902  -5.631  -3.685
  342    HE1  TYR  25           HE1      TYR  25  -4.743  -1.641  -1.563
  343    HE2  TYR  25           HE2      TYR  25  -1.939  -4.698  -1.491
  344    HH   TYR  25           HH       TYR  25  -2.831  -1.780  -0.282
  345    H    THR  26           HN       THR  26  -6.396  -6.179  -2.142
  346    HA   THR  26           HA       THR  26  -5.042  -7.562  -0.624
  347    HB   THR  26           HB       THR  26  -6.532  -9.816  -0.730
  348    HG1  THR  26           HG1      THR  26  -7.835  -7.815  -2.292
  349   1HG2  THR  26          HG22      THR  26  -7.707  -7.009  -0.415
  350   2HG2  THR  26          HG21      THR  26  -8.313  -8.491   0.303
  351   3HG2  THR  26          HG23      THR  26  -6.788  -7.803   0.860
  352    HA   PRO  27           HA       PRO  27  -2.346 -10.220  -3.126
  353   1HB   PRO  27           HB2      PRO  27  -0.517  -8.555  -3.892
  354   2HB   PRO  27           HB1      PRO  27  -2.213  -8.099  -4.186
  355   1HG   PRO  27           HG2      PRO  27  -0.552  -7.344  -1.643
  356   2HG   PRO  27           HG1      PRO  27  -1.282  -6.198  -2.735
  357   1HD   PRO  27           HD2      PRO  27  -2.387  -7.455  -0.376
  358   2HD   PRO  27           HD1      PRO  27  -3.390  -6.612  -1.582
  359    H    LYS  28           HN       LYS  28  -0.064 -10.947  -3.156
  360    HA   LYS  28           HA       LYS  28   1.106 -11.237  -0.655
  361   1HB   LYS  28           HB2      LYS  28   0.735 -12.912  -3.156
  362   2HB   LYS  28           HB1      LYS  28   2.187 -13.310  -2.356
  363   1HG   LYS  28           HG2      LYS  28  -0.695 -13.585  -1.483
  364   2HG   LYS  28           HG1      LYS  28   0.491 -14.863  -1.646
  365   1HD   LYS  28           HD2      LYS  28   0.672 -12.601   0.371
  366   2HD   LYS  28           HD1      LYS  28  -0.162 -14.048   0.617
  367   1HE   LYS  28           HE2      LYS  28   2.164 -14.066   1.743
  368   2HE   LYS  28           HE1      LYS  28   1.976 -15.381   0.605
  369   1HZ   LYS  28           HZ2      LYS  28   3.124 -13.344  -0.951
  370   2HZ   LYS  28           HZ1      LYS  28   3.933 -13.209   0.474
  371   3HZ   LYS  28           HZ3      LYS  28   3.932 -14.569  -0.427
  372    H    THR  29           HN       THR  29   2.930 -11.908  -0.527
  373    HA   THR  29           HA       THR  29   5.137 -10.533  -1.760
  374    HB   THR  29           HB       THR  29   6.271 -10.519   0.451
  375    HG1  THR  29           HG1      THR  29   5.789 -12.462   1.044
  376   1HG2  THR  29          HG22      THR  29   3.338 -10.188   1.242
  377   2HG2  THR  29          HG21      THR  29   4.748  -9.784   2.210
  378   3HG2  THR  29          HG23      THR  29   4.424  -8.877   0.767
   
  Start of MODEL          17
 Raw file had  378 H/Q atoms
  Start of MODEL   17
    1   1H    GLY   1           HT3      GLY   1   3.716  -5.169  -8.611
    2   2H    GLY   1           HT2      GLY   1   5.062  -4.994  -9.667
    3   3H    GLY   1           HT1      GLY   1   4.762  -6.435  -8.810
    4   1HA   GLY   1           HA1      GLY   1   6.011  -5.846  -7.191
    5   2HA   GLY   1           HA2      GLY   1   6.308  -4.320  -7.981
    6    H    ILE   2           HN       ILE   2   3.068  -5.120  -6.741
    7    HA   ILE   2           HA       ILE   2   2.933  -2.617  -5.335
    8    HB   ILE   2           HB       ILE   2   1.017  -3.796  -6.321
    9   1HG1  ILE   2          HG12      ILE   2   0.277  -2.323  -4.647
   10   2HG1  ILE   2          HG11      ILE   2  -0.708  -3.736  -4.553
   11   1HG2  ILE   2          HG22      ILE   2   1.605  -6.170  -5.898
   12   2HG2  ILE   2          HG21      ILE   2   1.244  -5.960  -4.192
   13   3HG2  ILE   2          HG23      ILE   2  -0.016  -5.806  -5.381
   14   1HD1  ILE   2           HD1      ILE   2   0.712  -4.479  -2.522
   15   2HD1  ILE   2           HD3      ILE   2   1.528  -2.925  -2.613
   16   3HD1  ILE   2           HD2      ILE   2  -0.175  -2.984  -2.293
   17    H    VAL   3           HN       VAL   3   2.998  -5.833  -3.993
   18    HA   VAL   3           HA       VAL   3   3.302  -5.035  -1.312
   19    HB   VAL   3           HB       VAL   3   4.310  -7.508  -2.773
   20   1HG1  VAL   3          HG13      VAL   3   3.983  -7.094   0.256
   21   2HG1  VAL   3          HG12      VAL   3   4.406  -8.625  -0.485
   22   3HG1  VAL   3          HG11      VAL   3   5.524  -7.279  -0.551
   23   1HG2  VAL   3          HG22      VAL   3   1.878  -7.062  -0.966
   24   2HG2  VAL   3          HG21      VAL   3   1.804  -7.236  -2.701
   25   3HG2  VAL   3          HG23      VAL   3   2.273  -8.592  -1.705
   26    H    GLU   4           HN       GLU   4   6.230  -6.049  -3.252
   27    HA   GLU   4           HA       GLU   4   7.810  -5.109  -1.158
   28   1HB   GLU   4           HB2      GLU   4   9.674  -5.449  -2.550
   29   2HB   GLU   4           HB1      GLU   4   8.495  -6.543  -3.219
   30   1HG   GLU   4           HG2      GLU   4   9.002  -3.763  -4.390
   31   2HG   GLU   4           HG1      GLU   4   9.765  -5.219  -4.950
   32    H    GLN   5           HN       GLN   5   6.106  -3.390  -3.829
   33    HA   GLN   5           HA       GLN   5   7.495  -0.999  -3.873
   34   1HB   GLN   5           HB2      GLN   5   4.949  -1.612  -4.868
   35   2HB   GLN   5           HB1      GLN   5   4.530  -0.625  -3.530
   36   1HG   GLN   5           HG2      GLN   5   4.849   0.865  -5.493
   37   2HG   GLN   5           HG1      GLN   5   6.179   1.150  -4.386
   38   1HE2  GLN   5          HE22      GLN   5   7.639  -1.224  -7.166
   39   2HE2  GLN   5          HE21      GLN   5   6.549  -1.855  -6.024
   40    H    CYS   6           HN       CYS   6   4.975  -1.878  -1.740
   41    HA   CYS   6           HA       CYS   6   5.486   0.396   0.128
   42   1HB   CYS   6           HB2      CYS   6   3.300  -1.606  -0.240
   43   2HB   CYS   6           HB1      CYS   6   3.321  -0.563   1.154
   44    H    CYS   7           HN       CYS   7   6.154  -2.956   0.236
   45    HA   CYS   7           HA       CYS   7   6.692  -2.942   3.054
   46   1HB   CYS   7           HB2      CYS   7   5.454  -4.714   1.487
   47   2HB   CYS   7           HB1      CYS   7   7.053  -5.258   1.140
   48    H    THR   8           HN       THR   8   8.228  -2.212   0.301
   49    HA   THR   8           HA       THR   8  10.949  -2.359   1.518
   50    HB   THR   8           HB       THR   8  10.452  -3.592  -1.257
   51    HG1  THR   8           HG1      THR   8  10.436  -4.445   1.350
   52   1HG2  THR   8          HG22      THR   8  12.861  -3.539   0.648
   53   2HG2  THR   8          HG21      THR   8  12.810  -4.272  -0.944
   54   3HG2  THR   8          HG23      THR   8  12.798  -2.522  -0.783
   55    H    SER   9           HN       SER   9   9.559  -1.382  -1.621
   56    HA   SER   9           HA       SER   9  11.558   0.612  -1.954
   57   1HB   SER   9           HB2      SER   9   9.062   0.360  -3.575
   58   2HB   SER   9           HB1      SER   9  10.536   1.265  -3.967
   59    HG   SER   9           HG1      SER   9  10.190  -1.417  -4.340
   60    H    ILE  10           HN       ILE  10  10.466   1.294   0.237
   61    HA   ILE  10           HA       ILE  10   9.226   2.884   1.458
   62    HB   ILE  10           HB       ILE  10  11.498   3.435   0.096
   63   1HG1  ILE  10          HG12      ILE  10  11.735   5.157   1.876
   64   2HG1  ILE  10          HG11      ILE  10  10.076   4.741   2.335
   65   1HG2  ILE  10          HG21      ILE  10  10.279   4.729  -1.440
   66   2HG2  ILE  10          HG23      ILE  10   9.694   5.781  -0.147
   67   3HG2  ILE  10          HG22      ILE  10  11.428   5.691  -0.498
   68   1HD1  ILE  10           HD2      ILE  10  12.366   2.690   2.125
   69   2HD1  ILE  10           HD1      ILE  10  11.767   3.302   3.637
   70   3HD1  ILE  10           HD3      ILE  10  10.749   2.302   2.639
   71    H    CYS  11           HN       CYS  11   7.534   2.379  -1.193
   72    HA   CYS  11           HA       CYS  11   5.933   3.627  -2.440
   73   1HB   CYS  11           HB2      CYS  11   5.242   2.428   0.124
   74   2HB   CYS  11           HB1      CYS  11   3.947   3.381  -0.482
   75    H    SER  12           HN       SER  12   3.533   4.812  -1.660
   76    HA   SER  12           HA       SER  12   3.778   7.260  -0.361
   77   1HB   SER  12           HB2      SER  12   5.213   7.774  -2.483
   78   2HB   SER  12           HB1      SER  12   3.718   7.579  -3.412
   79    HG   SER  12           HG1      SER  12   3.465   9.679  -2.723
   80    H    LEU  13           HN       LEU  13   2.080   8.649  -1.009
   81    HA   LEU  13           HA       LEU  13  -0.484   7.618  -0.555
   82   1HB   LEU  13           HB2      LEU  13   0.122  10.260  -2.025
   83   2HB   LEU  13           HB1      LEU  13  -1.337   9.883  -1.170
   84    HG   LEU  13           HG       LEU  13   1.401  10.073   0.206
   85   1HD1  LEU  13          HD12      LEU  13  -0.952  12.005   0.085
   86   2HD1  LEU  13          HD11      LEU  13   0.510  12.238   1.032
   87   3HD1  LEU  13          HD13      LEU  13   0.583  12.249  -0.722
   88   1HD2  LEU  13          HD23      LEU  13  -1.461   9.977   1.274
   89   2HD2  LEU  13          HD22      LEU  13  -0.327   8.642   1.370
   90   3HD2  LEU  13          HD21      LEU  13  -0.009  10.122   2.250
   91    OH   TYR  14           OH       TYR  14   1.404  14.255  -4.574
   92    H    TYR  14           HN       TYR  14   0.680   9.048  -3.420
   93    HA   TYR  14           HA       TYR  14  -1.063   8.385  -5.461
   94   1HB   TYR  14           HB2      TYR  14   2.004   8.258  -5.677
   95   2HB   TYR  14           HB1      TYR  14   0.869   8.653  -6.960
   96    HD1  TYR  14           HD2      TYR  14  -0.866  10.372  -4.719
   97    HD2  TYR  14           HD1      TYR  14   3.119  10.439  -6.263
   98    HE1  TYR  14           HE2      TYR  14  -0.681  12.720  -4.161
   99    HE2  TYR  14           HE1      TYR  14   3.258  12.847  -5.676
  100    HH   TYR  14           HH       TYR  14   0.514  14.603  -4.656
  101    H    GLN  15           HN       GLN  15   1.204   6.403  -3.925
  102    HA   GLN  15           HA       GLN  15   0.979   4.039  -5.598
  103   1HB   GLN  15           HB2      GLN  15   2.596   4.785  -3.534
  104   2HB   GLN  15           HB1      GLN  15   1.562   3.642  -2.696
  105   1HG   GLN  15           HG2      GLN  15   3.081   2.077  -3.667
  106   2HG   GLN  15           HG1      GLN  15   1.986   2.243  -5.021
  107   1HE2  GLN  15          HE22      GLN  15   5.617   3.671  -5.360
  108   2HE2  GLN  15          HE21      GLN  15   5.125   2.806  -3.970
  109    H    LEU  16           HN       LEU  16  -0.109   4.541  -2.299
  110    HA   LEU  16           HA       LEU  16  -1.906   2.594  -1.857
  111   1HB   LEU  16           HB2      LEU  16  -2.503   5.524  -1.193
  112   2HB   LEU  16           HB1      LEU  16  -3.224   4.156  -0.381
  113    HG   LEU  16           HG       LEU  16  -0.244   4.517  -0.595
  114   1HD1  LEU  16          HD12      LEU  16  -1.368   6.398   0.781
  115   2HD1  LEU  16          HD11      LEU  16  -2.131   5.159   1.747
  116   3HD1  LEU  16          HD13      LEU  16  -0.390   5.364   1.808
  117   1HD2  LEU  16          HD23      LEU  16  -1.834   2.801   1.282
  118   2HD2  LEU  16          HD22      LEU  16  -0.866   2.271  -0.087
  119   3HD2  LEU  16          HD21      LEU  16  -0.102   3.000   1.302
  120    H    GLU  17           HN       GLU  17  -2.508   5.482  -3.642
  121    HA   GLU  17           HA       GLU  17  -5.141   5.114  -4.531
  122   1HB   GLU  17           HB2      GLU  17  -2.887   6.802  -5.766
  123   2HB   GLU  17           HB1      GLU  17  -4.591   7.082  -5.993
  124   1HG   GLU  17           HG2      GLU  17  -4.903   7.856  -3.744
  125   2HG   GLU  17           HG1      GLU  17  -3.429   7.154  -3.148
  126    H    ASN  18           HN       ASN  18  -2.138   4.784  -6.504
  127    HA   ASN  18           HA       ASN  18  -3.534   3.448  -8.687
  128   1HB   ASN  18           HB2      ASN  18  -1.322   3.101  -9.658
  129   2HB   ASN  18           HB1      ASN  18  -1.440   4.722  -9.009
  130   1HD2  ASN  18          HD22      ASN  18   1.568   4.249  -7.368
  131   2HD2  ASN  18          HD21      ASN  18   0.458   5.343  -8.069
  132    OH   TYR  19           OH       TYR  19   3.314  -0.960  -7.598
  133    H    TYR  19           HN       TYR  19  -2.871   2.395  -5.765
  134    HA   TYR  19           HA       TYR  19  -2.926  -0.546  -6.270
  135   1HB   TYR  19           HB2      TYR  19  -1.299   1.102  -4.239
  136   2HB   TYR  19           HB1      TYR  19  -1.557  -0.600  -3.996
  137    HD1  TYR  19           HD2      TYR  19  -1.166  -0.589  -7.436
  138    HD2  TYR  19           HD1      TYR  19   1.051   0.241  -3.896
  139    HE1  TYR  19           HE2      TYR  19   0.911  -1.062  -8.610
  140    HE2  TYR  19           HE1      TYR  19   3.101  -0.239  -5.104
  141    HH   TYR  19           HH       TYR  19   3.584  -0.086  -7.904
  142    H    CYS  20           HN       CYS  20  -4.906   1.375  -5.991
  143    HA   CYS  20           HA       CYS  20  -6.408   0.829  -3.473
  144   1HB   CYS  20           HB2      CYS  20  -6.123   3.204  -4.239
  145   2HB   CYS  20           HB1      CYS  20  -6.746   2.749  -5.794
  146    H    ASN  21           HN       ASN  21  -8.859   1.040  -4.276
  147    HA   ASN  21           HA       ASN  21 -10.416  -0.569  -4.619
  148   1HB   ASN  21           HB2      ASN  21 -11.458   0.796  -6.355
  149   2HB   ASN  21           HB1      ASN  21 -10.281   1.748  -5.601
  150   1HD2  ASN  21          HD22      ASN  21  -8.135   1.292  -8.655
  151   2HD2  ASN  21          HD21      ASN  21  -7.961   0.486  -7.176
  152   1H    PHE   1           HT2      PHE   1   8.520   6.932   1.216
  153   2H    PHE   1           HT1      PHE   1   7.011   6.683   0.579
  154   3H    PHE   1           HT3      PHE   1   8.187   7.302  -0.403
  155    HA   PHE   1           HA       PHE   1   7.632   9.421   0.182
  156   1HB   PHE   1           HB2      PHE   1   5.515   9.706   1.535
  157   2HB   PHE   1           HB1      PHE   1   5.299   8.472   0.331
  158    HD1  PHE   1           HD1      PHE   1   5.566   5.910   1.190
  159    HD2  PHE   1           HD2      PHE   1   5.127   9.279   3.776
  160    HE1  PHE   1           HE1      PHE   1   4.903   4.444   2.993
  161    HE2  PHE   1           HE2      PHE   1   4.461   7.772   5.581
  162    HZ   PHE   1           HZ       PHE   1   4.349   5.357   5.200
  163    H    VAL   2           HN       VAL   2   7.664   7.420   3.143
  164    HA   VAL   2           HA       VAL   2   9.561   9.220   4.490
  165    HB   VAL   2           HB       VAL   2   7.086   7.978   5.367
  166   1HG1  VAL   2          HG12      VAL   2   9.234   9.263   7.139
  167   2HG1  VAL   2          HG11      VAL   2   7.654   8.784   7.718
  168   3HG1  VAL   2          HG13      VAL   2   8.774   7.559   7.184
  169   1HG2  VAL   2          HG23      VAL   2   6.872  10.330   4.499
  170   2HG2  VAL   2          HG22      VAL   2   6.569  10.331   6.223
  171   3HG2  VAL   2          HG21      VAL   2   8.121  10.847   5.602
  172    H    ASN   3           HN       ASN   3  10.592   7.365   6.194
  173    HA   ASN   3           HA       ASN   3  10.816   5.080   4.501
  174   1HB   ASN   3           HB2      ASN   3  12.899   6.108   5.085
  175   2HB   ASN   3           HB1      ASN   3  12.438   6.255   6.780
  176   1HD2  ASN   3          HD22      ASN   3  14.458   3.448   7.326
  177   2HD2  ASN   3          HD21      ASN   3  14.167   5.069   7.763
  178    H    GLN   4           HN       GLN   4  11.181   2.840   5.589
  179    HA   GLN   4           HA       GLN   4  10.292   1.035   7.064
  180   1HB   GLN   4           HB2      GLN   4  10.505   1.738   9.100
  181   2HB   GLN   4           HB1      GLN   4  10.405   3.409   8.660
  182   1HG   GLN   4           HG2      GLN   4   7.816   2.813   8.429
  183   2HG   GLN   4           HG1      GLN   4   8.306   1.457   9.451
  184   1HE2  GLN   4          HE22      GLN   4   8.528   5.300  10.805
  185   2HE2  GLN   4          HE21      GLN   4   8.624   4.929   9.126
  186    H    HIS   5           HN       HIS   5   8.558   3.317   5.487
  187    HA   HIS   5           HA       HIS   5   6.184   3.591   5.223
  188   1HB   HIS   5           HB2      HIS   5   5.928   2.504   2.943
  189   2HB   HIS   5           HB1      HIS   5   7.392   3.462   3.170
  190    HD1  HIS   5           HD1      HIS   5   7.022   1.639   0.952
  191    HD2  HIS   5           HD2      HIS   5   8.849   0.591   4.388
  192    HE1  HIS   5           HE1      HIS   5   8.527  -0.192   0.347
  193    H    LEU   6           HN       LEU   6   5.673   0.519   3.712
  194    HA   LEU   6           HA       LEU   6   3.868  -0.253   5.932
  195   1HB   LEU   6           HB2      LEU   6   2.548  -0.362   3.300
  196   2HB   LEU   6           HB1      LEU   6   1.937  -0.069   4.918
  197    HG   LEU   6           HG       LEU   6   3.211   2.125   4.721
  198   1HD1  LEU   6          HD13      LEU   6   4.282   1.462   2.490
  199   2HD1  LEU   6          HD12      LEU   6   2.692   1.389   1.792
  200   3HD1  LEU   6          HD11      LEU   6   3.328   2.934   2.318
  201   1HD2  LEU   6          HD23      LEU   6   0.684   1.529   3.171
  202   2HD2  LEU   6          HD22      LEU   6   0.814   1.898   4.890
  203   3HD2  LEU   6          HD21      LEU   6   1.171   3.141   3.699
  204    H    CYS   7           HN       CYS   7   5.330  -2.077   6.111
  205    HA   CYS   7           HA       CYS   7   5.257  -3.945   3.951
  206   1HB   CYS   7           HB2      CYS   7   7.084  -3.461   5.873
  207   2HB   CYS   7           HB1      CYS   7   6.233  -4.759   6.673
  208    H    GLY   8           HN       GLY   8   4.642  -6.299   4.556
  209   1HA   GLY   8           HA2      GLY   8   2.495  -7.503   4.578
  210   2HA   GLY   8           HA1      GLY   8   3.053  -7.504   6.244
  211    H    SER   9           HN       SER   9   1.573  -7.488   7.506
  212    HA   SER   9           HA       SER   9  -1.115  -7.157   7.354
  213   1HB   SER   9           HB2      SER   9   0.531  -6.122   9.719
  214   2HB   SER   9           HB1      SER   9  -1.129  -6.742   9.768
  215    HG   SER   9           HG1      SER   9  -0.225  -8.719   9.783
  216    H    HIS  10           HN       HIS  10   1.017  -4.479   8.243
  217    HA   HIS  10           HA       HIS  10  -1.028  -2.590   8.264
  218   1HB   HIS  10           HB2      HIS  10   1.077  -1.027   8.086
  219   2HB   HIS  10           HB1      HIS  10   0.759  -1.974   9.535
  220    HD1  HIS  10           HD1      HIS  10   3.424  -0.917   7.821
  221    HD2  HIS  10           HD2      HIS  10   2.393  -4.605   9.166
  222    HE1  HIS  10           HE1      HIS  10   5.546  -2.211   7.969
  223    H    LEU  11           HN       LEU  11   1.468  -3.381   5.845
  224    HA   LEU  11           HA       LEU  11   0.938  -1.593   3.797
  225   1HB   LEU  11           HB2      LEU  11   2.414  -3.775   3.720
  226   2HB   LEU  11           HB1      LEU  11   0.986  -4.605   3.253
  227    HG   LEU  11           HG       LEU  11   1.818  -2.145   1.732
  228   1HD1  LEU  11          HD11      LEU  11   2.594  -5.056   1.293
  229   2HD1  LEU  11          HD13      LEU  11   2.943  -3.711   0.197
  230   3HD1  LEU  11          HD12      LEU  11   3.661  -3.751   1.793
  231   1HD2  LEU  11          HD21      LEU  11  -0.497  -3.265   1.322
  232   2HD2  LEU  11          HD23      LEU  11   0.522  -3.354  -0.075
  233   3HD2  LEU  11          HD22      LEU  11   0.319  -4.752   0.977
  234    H    VAL  12           HN       VAL  12  -0.698  -4.517   4.056
  235    HA   VAL  12           HA       VAL  12  -2.792  -3.843   2.167
  236    HB   VAL  12           HB       VAL  12  -3.887  -5.982   3.059
  237   1HG1  VAL  12          HG11      VAL  12  -2.076  -6.123   1.444
  238   2HG1  VAL  12          HG13      VAL  12  -0.898  -6.180   2.743
  239   3HG1  VAL  12          HG12      VAL  12  -2.056  -7.483   2.551
  240   1HG2  VAL  12          HG23      VAL  12  -3.321  -5.767   5.522
  241   2HG2  VAL  12          HG22      VAL  12  -2.830  -7.283   4.815
  242   3HG2  VAL  12          HG21      VAL  12  -1.647  -6.026   5.091
  243    H    GLU  13           HN       GLU  13  -3.064  -3.933   5.760
  244    HA   GLU  13           HA       GLU  13  -5.550  -2.884   6.235
  245   1HB   GLU  13           HB2      GLU  13  -3.750  -3.783   7.774
  246   2HB   GLU  13           HB1      GLU  13  -2.807  -2.373   7.447
  247   1HG   GLU  13           HG2      GLU  13  -4.616  -0.985   8.494
  248   2HG   GLU  13           HG1      GLU  13  -5.398  -2.502   8.960
  249    H    ALA  14           HN       ALA  14  -2.750  -1.122   5.851
  250    HA   ALA  14           HA       ALA  14  -3.422   1.535   5.911
  251   1HB   ALA  14           HB3      ALA  14  -1.220   0.551   6.040
  252   2HB   ALA  14           HB2      ALA  14  -1.342   0.046   4.373
  253   3HB   ALA  14           HB1      ALA  14  -1.267   1.762   4.724
  254    H    LEU  15           HN       LEU  15  -2.524   0.119   2.698
  255    HA   LEU  15           HA       LEU  15  -3.802   2.380   1.517
  256   1HB   LEU  15           HB2      LEU  15  -4.247   0.213  -0.413
  257   2HB   LEU  15           HB1      LEU  15  -3.249   1.604  -0.565
  258    HG   LEU  15           HG       LEU  15  -1.362   0.424   0.466
  259   1HD1  LEU  15          HD13      LEU  15  -3.091  -1.234   1.756
  260   2HD1  LEU  15          HD12      LEU  15  -3.452  -1.815   0.203
  261   3HD1  LEU  15          HD11      LEU  15  -1.870  -2.074   0.833
  262   1HD2  LEU  15          HD23      LEU  15  -1.873   0.364  -1.976
  263   2HD2  LEU  15          HD22      LEU  15  -1.143  -1.145  -1.441
  264   3HD2  LEU  15          HD21      LEU  15  -2.868  -1.044  -1.741
  265    OH   TYR  16           OH       TYR  16 -12.413  -3.556   3.518
  266    H    TYR  16           HN       TYR  16  -4.964  -0.794   2.402
  267    HA   TYR  16           HA       TYR  16  -7.358  -0.756   1.163
  268   1HB   TYR  16           HB2      TYR  16  -6.518  -2.640   2.485
  269   2HB   TYR  16           HB1      TYR  16  -6.669  -1.712   3.963
  270    HD1  TYR  16           HD2      TYR  16  -8.642  -2.995   1.104
  271    HD2  TYR  16           HD1      TYR  16  -8.640  -1.717   5.147
  272    HE1  TYR  16           HE2      TYR  16 -10.931  -3.716   1.309
  273    HE2  TYR  16           HE1      TYR  16 -10.943  -2.448   5.366
  274    HH   TYR  16           HH       TYR  16 -13.008  -2.813   3.307
  275    H    LEU  17           HN       LEU  17  -6.751   0.752   4.332
  276    HA   LEU  17           HA       LEU  17  -9.258   1.791   4.713
  277   1HB   LEU  17           HB2      LEU  17  -7.184   1.091   6.185
  278   2HB   LEU  17           HB1      LEU  17  -6.482   2.642   5.742
  279    HG   LEU  17           HG       LEU  17  -9.047   2.169   6.604
  280   1HD1  LEU  17          HD12      LEU  17  -7.608   1.272   8.440
  281   2HD1  LEU  17          HD11      LEU  17  -6.593   2.699   8.388
  282   3HD1  LEU  17          HD13      LEU  17  -8.198   2.790   9.093
  283   1HD2  LEU  17          HD22      LEU  17  -7.275   4.665   6.862
  284   2HD2  LEU  17          HD21      LEU  17  -8.743   4.551   5.909
  285   3HD2  LEU  17          HD23      LEU  17  -8.842   4.635   7.647
  286    H    VAL  18           HN       VAL  18  -6.267   3.132   3.584
  287    HA   VAL  18           HA       VAL  18  -7.235   5.678   3.289
  288    HB   VAL  18           HB       VAL  18  -4.995   4.187   1.776
  289   1HG1  VAL  18          HG11      VAL  18  -5.328   7.225   1.961
  290   2HG1  VAL  18          HG13      VAL  18  -3.953   6.408   1.250
  291   3HG1  VAL  18          HG12      VAL  18  -5.523   6.286   0.493
  292   1HG2  VAL  18          HG23      VAL  18  -4.671   4.416   4.266
  293   2HG2  VAL  18          HG22      VAL  18  -3.463   5.339   3.407
  294   3HG2  VAL  18          HG21      VAL  18  -4.835   6.151   4.124
  295    H    CYS  19           HN       CYS  19  -6.989   3.302   0.781
  296    HA   CYS  19           HA       CYS  19  -9.258   4.334  -0.848
  297   1HB   CYS  19           HB2      CYS  19  -6.877   5.299  -1.428
  298   2HB   CYS  19           HB1      CYS  19  -6.600   3.707  -2.079
  299    H    GLY  20           HN       GLY  20  -8.932   2.018   0.817
  300   1HA   GLY  20           HA2      GLY  20  -8.484  -0.279  -1.003
  301   2HA   GLY  20           HA1      GLY  20  -9.023  -0.444   0.651
  302    H    GLU  21           HN       GLU  21 -10.829   0.595   1.192
  303    HA   GLU  21           HA       GLU  21 -13.066  -0.901   0.654
  304   1HB   GLU  21           HB2      GLU  21 -12.513   0.620   2.581
  305   2HB   GLU  21           HB1      GLU  21 -12.923   2.011   1.601
  306   1HG   GLU  21           HG2      GLU  21 -14.893   1.153   3.065
  307   2HG   GLU  21           HG1      GLU  21 -15.288   1.118   1.359
  308    NH1  ARG  22           NH1      ARG  22 -13.293  -1.308  -7.023
  309    NH2  ARG  22           NH2      ARG  22 -12.062  -0.147  -8.382
  310    H    ARG  22           HN       ARG  22 -12.670  -0.992  -1.558
  311    HA   ARG  22           HA       ARG  22 -14.693   0.249  -3.221
  312   1HB   ARG  22           HB2      ARG  22 -12.426   1.730  -3.053
  313   2HB   ARG  22           HB1      ARG  22 -11.828   0.619  -4.221
  314   1HG   ARG  22           HG2      ARG  22 -14.006   2.688  -4.451
  315   2HG   ARG  22           HG1      ARG  22 -12.629   2.472  -5.495
  316   1HD   ARG  22           HD2      ARG  22 -14.507   0.165  -5.454
  317   2HD   ARG  22           HD1      ARG  22 -15.183   1.654  -6.064
  318    HE   ARG  22           HE       ARG  22 -13.581   1.561  -7.949
  319   1HH1  ARG  22          HH11      ARG  22 -14.061  -1.413  -6.405
  320   2HH1  ARG  22          HH12      ARG  22 -12.698  -2.075  -7.254
  321   1HH2  ARG  22          HH21      ARG  22 -11.809   0.694  -8.844
  322   2HH2  ARG  22          HH22      ARG  22 -11.548  -0.986  -8.560
  323    H    GLY  23           HN       GLY  23 -11.620  -1.741  -3.312
  324   1HA   GLY  23           HA2      GLY  23 -13.088  -4.061  -4.442
  325   2HA   GLY  23           HA1      GLY  23 -11.759  -3.401  -5.451
  326    H    PHE  24           HN       PHE  24 -10.091  -2.675  -4.308
  327    HA   PHE  24           HA       PHE  24  -8.137  -4.117  -3.502
  328   1HB   PHE  24           HB2      PHE  24  -8.098  -1.842  -3.996
  329   2HB   PHE  24           HB1      PHE  24  -8.765  -1.430  -2.431
  330    HD1  PHE  24           HD2      PHE  24  -6.069  -2.863  -4.331
  331    HD2  PHE  24           HD1      PHE  24  -7.450  -1.969  -0.421
  332    HE1  PHE  24           HE2      PHE  24  -3.868  -3.507  -3.384
  333    HE2  PHE  24           HE1      PHE  24  -5.274  -2.601   0.534
  334    HZ   PHE  24           HZ       PHE  24  -3.557  -3.425  -1.059
  335    OH   TYR  25           OH       TYR  25  -6.699  -4.802   6.511
  336    H    TYR  25           HN       TYR  25  -6.951  -4.641  -1.948
  337    HA   TYR  25           HA       TYR  25  -6.353  -4.773   0.529
  338   1HB   TYR  25           HB2      TYR  25  -9.080  -5.407   0.933
  339   2HB   TYR  25           HB1      TYR  25  -8.334  -6.967   1.008
  340    HD1  TYR  25           HD1      TYR  25  -5.551  -5.619   2.210
  341    HD2  TYR  25           HD2      TYR  25  -9.665  -5.508   3.218
  342    HE1  TYR  25           HE1      TYR  25  -5.008  -5.130   4.573
  343    HE2  TYR  25           HE2      TYR  25  -9.046  -5.013   5.570
  344    HH   TYR  25           HH       TYR  25  -5.746  -4.737   6.623
  345    H    THR  26           HN       THR  26  -6.816  -6.908  -2.093
  346    HA   THR  26           HA       THR  26  -5.013  -8.977  -0.851
  347    HB   THR  26           HB       THR  26  -5.961 -10.560  -2.596
  348    HG1  THR  26           HG1      THR  26  -6.422  -9.001  -4.101
  349   1HG2  THR  26          HG21      THR  26  -7.295 -10.113  -0.387
  350   2HG2  THR  26          HG23      THR  26  -8.153  -8.873  -1.292
  351   3HG2  THR  26          HG22      THR  26  -8.273 -10.546  -1.790
  352    HA   PRO  27           HA       PRO  27  -2.450  -7.540  -4.345
  353   1HB   PRO  27           HB2      PRO  27  -0.922  -5.683  -3.241
  354   2HB   PRO  27           HB1      PRO  27  -2.666  -5.434  -3.335
  355   1HG   PRO  27           HG2      PRO  27  -1.009  -6.234  -0.895
  356   2HG   PRO  27           HG1      PRO  27  -2.495  -5.284  -0.937
  357   1HD   PRO  27           HD2      PRO  27  -2.210  -8.199  -0.563
  358   2HD   PRO  27           HD1      PRO  27  -3.665  -7.203  -0.426
  359    H    LYS  28           HN       LYS  28  -0.668  -8.485  -5.211
  360    HA   LYS  28           HA       LYS  28   1.315  -9.766  -3.571
  361   1HB   LYS  28           HB2      LYS  28  -0.040 -11.534  -4.279
  362   2HB   LYS  28           HB1      LYS  28  -0.319 -10.822  -5.849
  363   1HG   LYS  28           HG2      LYS  28   2.579 -11.434  -5.121
  364   2HG   LYS  28           HG1      LYS  28   1.533 -12.811  -5.400
  365   1HD   LYS  28           HD2      LYS  28   1.078 -12.269  -7.568
  366   2HD   LYS  28           HD1      LYS  28   1.216 -10.561  -7.349
  367   1HE   LYS  28           HE2      LYS  28   3.760 -12.165  -7.133
  368   2HE   LYS  28           HE1      LYS  28   3.079 -11.924  -8.740
  369   1HZ   LYS  28           HZ3      LYS  28   2.902  -9.428  -7.420
  370   2HZ   LYS  28           HZ2      LYS  28   4.399  -9.974  -7.074
  371   3HZ   LYS  28           HZ1      LYS  28   3.947  -9.751  -8.623
  372    H    THR  29           HN       THR  29   3.139  -8.877  -3.905
  373    HA   THR  29           HA       THR  29   4.393  -6.914  -5.001
  374    HB   THR  29           HB       THR  29   6.508  -8.069  -5.052
  375    HG1  THR  29           HG1      THR  29   6.390  -9.369  -6.675
  376   1HG2  THR  29          HG23      THR  29   4.758 -10.361  -4.038
  377   2HG2  THR  29          HG22      THR  29   6.475 -10.142  -3.812
  378   3HG2  THR  29          HG21      THR  29   5.367  -9.088  -2.985
   
  Start of MODEL          18
 Raw file had  378 H/Q atoms
  Start of MODEL   18
    1   1H    GLY   1           HT2      GLY   1   7.050  -7.278  -7.770
    2   2H    GLY   1           HT1      GLY   1   7.271  -7.725  -9.392
    3   3H    GLY   1           HT3      GLY   1   8.486  -6.953  -8.493
    4   1HA   GLY   1           HA1      GLY   1   7.774  -4.925  -9.097
    5   2HA   GLY   1           HA2      GLY   1   6.424  -5.641  -9.974
    6    H    ILE   2           HN       ILE   2   4.615  -4.448  -9.212
    7    HA   ILE   2           HA       ILE   2   3.911  -2.956  -7.234
    8    HB   ILE   2           HB       ILE   2   2.328  -4.048  -8.751
    9   1HG1  ILE   2          HG12      ILE   2   0.396  -4.610  -7.214
   10   2HG1  ILE   2          HG11      ILE   2   1.484  -4.346  -5.873
   11   1HG2  ILE   2          HG23      ILE   2   3.143  -6.404  -8.691
   12   2HG2  ILE   2          HG22      ILE   2   2.482  -6.588  -7.075
   13   3HG2  ILE   2          HG21      ILE   2   1.421  -6.297  -8.417
   14   1HD1  ILE   2           HD1      ILE   2   1.945  -2.005  -6.767
   15   2HD1  ILE   2           HD3      ILE   2   0.841  -2.318  -8.094
   16   3HD1  ILE   2           HD2      ILE   2   0.243  -2.257  -6.453
   17    H    VAL   3           HN       VAL   3   3.862  -6.369  -6.018
   18    HA   VAL   3           HA       VAL   3   3.567  -5.749  -3.354
   19    HB   VAL   3           HB       VAL   3   4.392  -8.127  -3.237
   20   1HG1  VAL   3          HG13      VAL   3   2.221  -7.474  -5.276
   21   2HG1  VAL   3          HG12      VAL   3   2.436  -9.028  -4.493
   22   3HG1  VAL   3          HG11      VAL   3   2.026  -7.615  -3.544
   23   1HG2  VAL   3          HG22      VAL   3   4.626  -7.965  -6.270
   24   2HG2  VAL   3          HG21      VAL   3   5.942  -8.276  -5.153
   25   3HG2  VAL   3          HG23      VAL   3   4.644  -9.419  -5.300
   26    H    GLU   4           HN       GLU   4   6.820  -6.951  -4.495
   27    HA   GLU   4           HA       GLU   4   7.965  -6.047  -2.112
   28   1HB   GLU   4           HB2      GLU   4  10.085  -6.614  -3.047
   29   2HB   GLU   4           HB1      GLU   4   8.985  -7.674  -3.886
   30   1HG   GLU   4           HG2      GLU   4   9.941  -4.998  -5.086
   31   2HG   GLU   4           HG1      GLU   4  10.727  -6.519  -5.376
   32    H    GLN   5           HN       GLN   5   6.990  -4.391  -5.053
   33    HA   GLN   5           HA       GLN   5   8.609  -2.107  -4.960
   34   1HB   GLN   5           HB2      GLN   5   6.428  -2.813  -6.483
   35   2HB   GLN   5           HB1      GLN   5   5.638  -1.665  -5.421
   36   1HG   GLN   5           HG2      GLN   5   8.016  -1.080  -7.279
   37   2HG   GLN   5           HG1      GLN   5   6.422  -0.366  -7.372
   38   1HE2  GLN   5          HE22      GLN   5   7.470   1.443  -4.231
   39   2HE2  GLN   5          HE21      GLN   5   6.255   0.272  -4.449
   40    H    CYS   6           HN       CYS   6   5.457  -2.557  -3.463
   41    HA   CYS   6           HA       CYS   6   5.731  -0.332  -1.577
   42   1HB   CYS   6           HB2      CYS   6   3.550  -1.238  -2.242
   43   2HB   CYS   6           HB1      CYS   6   3.972  -2.854  -1.723
   44    H    CYS   7           HN       CYS   7   6.458  -3.727  -0.986
   45    HA   CYS   7           HA       CYS   7   7.111  -2.963   1.698
   46   1HB   CYS   7           HB2      CYS   7   6.353  -4.959   1.285
   47   2HB   CYS   7           HB1      CYS   7   7.451  -5.426   0.049
   48    H    THR   8           HN       THR   8   9.347  -4.164  -0.832
   49    HA   THR   8           HA       THR   8  11.678  -3.051   0.524
   50    HB   THR   8           HB       THR   8  11.368  -4.006  -2.381
   51    HG1  THR   8           HG1      THR   8  11.585  -5.086   0.040
   52   1HG2  THR   8          HG22      THR   8  13.855  -3.456  -0.656
   53   2HG2  THR   8          HG21      THR   8  13.847  -4.045  -2.309
   54   3HG2  THR   8          HG23      THR   8  13.383  -2.389  -1.966
   55    H    SER   9           HN       SER   9   9.804  -1.815  -2.230
   56    HA   SER   9           HA       SER   9  11.455   0.544  -2.142
   57   1HB   SER   9           HB2      SER   9   9.439  -0.026  -4.221
   58   2HB   SER   9           HB1      SER   9  10.667   1.237  -4.225
   59    HG   SER   9           HG1      SER   9  11.019  -1.393  -4.845
   60    H    ILE  10           HN       ILE  10  10.353   1.340  -0.190
   61    HA   ILE  10           HA       ILE  10   8.877   2.793   0.861
   62    HB   ILE  10           HB       ILE  10  10.172   3.713  -1.473
   63   1HG1  ILE  10          HG12      ILE  10  11.106   5.214   0.609
   64   2HG1  ILE  10          HG11      ILE  10  10.529   3.781   1.430
   65   1HG2  ILE  10          HG23      ILE  10   8.451   5.230  -1.712
   66   2HG2  ILE  10          HG22      ILE  10   8.667   5.781  -0.034
   67   3HG2  ILE  10          HG21      ILE  10   9.956   5.985  -1.203
   68   1HD1  ILE  10           HD2      ILE  10  11.807   2.372  -0.218
   69   2HD1  ILE  10           HD1      ILE  10  12.467   3.815  -0.908
   70   3HD1  ILE  10           HD3      ILE  10  12.828   3.391   0.766
   71    H    CYS  11           HN       CYS  11   6.821   1.961   1.083
   72    HA   CYS  11           HA       CYS  11   4.650   2.641  -0.805
   73   1HB   CYS  11           HB2      CYS  11   5.256   0.452   0.026
   74   2HB   CYS  11           HB1      CYS  11   4.560   0.897   1.529
   75    H    SER  12           HN       SER  12   4.230   5.056  -0.083
   76    HA   SER  12           HA       SER  12   2.288   4.804   2.091
   77   1HB   SER  12           HB2      SER  12   2.889   7.066   2.949
   78   2HB   SER  12           HB1      SER  12   4.410   6.238   2.690
   79    HG   SER  12           HG1      SER  12   3.950   7.223   0.358
   80    H    LEU  13           HN       LEU  13   1.298   7.048   2.059
   81    HA   LEU  13           HA       LEU  13  -1.024   7.350   0.867
   82   1HB   LEU  13           HB2      LEU  13   0.083   9.148   2.122
   83   2HB   LEU  13           HB1      LEU  13   1.167   9.475   0.790
   84    HG   LEU  13           HG       LEU  13  -0.664  10.352  -0.565
   85   1HD1  LEU  13          HD12      LEU  13  -2.472   9.625   1.807
   86   2HD1  LEU  13          HD11      LEU  13  -2.936  10.504   0.354
   87   3HD1  LEU  13          HD13      LEU  13  -2.474   8.840   0.226
   88   1HD2  LEU  13          HD21      LEU  13   0.392  11.854   1.130
   89   2HD2  LEU  13          HD23      LEU  13  -1.300  12.244   0.877
   90   3HD2  LEU  13          HD22      LEU  13  -0.810  11.359   2.314
   91    OH   TYR  14           OH       TYR  14   3.315  12.769   0.468
   92    H    TYR  14           HN       TYR  14   1.348   8.813  -1.147
   93    HA   TYR  14           HA       TYR  14  -0.026   8.801  -3.624
   94   1HB   TYR  14           HB2      TYR  14   2.988   8.277  -3.690
   95   2HB   TYR  14           HB1      TYR  14   2.054   9.498  -4.548
   96    HD1  TYR  14           HD1      TYR  14   0.642  11.038  -2.758
   97    HD2  TYR  14           HD2      TYR  14   4.402   9.189  -2.078
   98    HE1  TYR  14           HE1      TYR  14   1.095  12.652  -1.015
   99    HE2  TYR  14           HE2      TYR  14   4.878  10.808  -0.310
  100    HH   TYR  14           HH       TYR  14   2.762  13.500   0.156
  101    H    GLN  15           HN       GLN  15   2.114   6.368  -2.413
  102    HA   GLN  15           HA       GLN  15   1.797   4.496  -4.600
  103   1HB   GLN  15           HB2      GLN  15   3.646   4.466  -2.969
  104   2HB   GLN  15           HB1      GLN  15   2.551   4.019  -1.674
  105   1HG   GLN  15           HG2      GLN  15   2.267   1.831  -2.381
  106   2HG   GLN  15           HG1      GLN  15   2.266   2.263  -4.080
  107   1HE2  GLN  15          HE22      GLN  15   6.061   2.212  -2.953
  108   2HE2  GLN  15          HE21      GLN  15   5.040   3.455  -2.486
  109    H    LEU  16           HN       LEU  16   0.488   4.332  -1.285
  110    HA   LEU  16           HA       LEU  16  -1.399   2.453  -1.364
  111   1HB   LEU  16           HB2      LEU  16  -1.818   5.250  -0.227
  112   2HB   LEU  16           HB1      LEU  16  -2.735   3.846   0.258
  113    HG   LEU  16           HG       LEU  16   0.288   3.914   0.357
  114   1HD1  LEU  16          HD12      LEU  16  -0.800   5.582   2.041
  115   2HD1  LEU  16          HD11      LEU  16  -1.730   4.231   2.659
  116   3HD1  LEU  16          HD13      LEU  16   0.009   4.245   2.850
  117   1HD2  LEU  16          HD21      LEU  16  -1.634   2.046   1.654
  118   2HD2  LEU  16          HD23      LEU  16  -0.533   1.709   0.323
  119   3HD2  LEU  16          HD22      LEU  16   0.095   2.076   1.897
  120    H    GLU  17           HN       GLU  17  -1.982   5.720  -2.519
  121    HA   GLU  17           HA       GLU  17  -4.510   5.569  -3.627
  122   1HB   GLU  17           HB2      GLU  17  -2.008   7.253  -4.207
  123   2HB   GLU  17           HB1      GLU  17  -3.495   7.637  -5.028
  124   1HG   GLU  17           HG2      GLU  17  -4.532   8.161  -2.824
  125   2HG   GLU  17           HG1      GLU  17  -3.062   7.668  -1.998
  126    H    ASN  18           HN       ASN  18  -1.503   5.502  -5.377
  127    HA   ASN  18           HA       ASN  18  -2.534   4.497  -7.905
  128   1HB   ASN  18           HB2      ASN  18   0.277   4.535  -6.806
  129   2HB   ASN  18           HB1      ASN  18  -0.123   4.309  -8.489
  130   1HD2  ASN  18          HD22      ASN  18  -1.210   8.024  -7.468
  131   2HD2  ASN  18          HD21      ASN  18  -2.092   6.719  -6.831
  132    OH   TYR  19           OH       TYR  19   2.163  -3.997  -3.582
  133    H    TYR  19           HN       TYR  19  -2.132   2.933  -5.114
  134    HA   TYR  19           HA       TYR  19  -1.813   0.185  -6.203
  135   1HB   TYR  19           HB2      TYR  19   0.069   1.515  -4.900
  136   2HB   TYR  19           HB1      TYR  19  -0.911   1.225  -3.496
  137    HD1  TYR  19           HD1      TYR  19  -1.645  -1.655  -3.698
  138    HD2  TYR  19           HD2      TYR  19   1.955   0.352  -4.748
  139    HE1  TYR  19           HE1      TYR  19  -0.356  -3.685  -3.324
  140    HE2  TYR  19           HE2      TYR  19   3.204  -1.669  -4.369
  141    HH   TYR  19           HH       TYR  19   3.092  -3.738  -3.604
  142    H    CYS  20           HN       CYS  20  -4.110   2.056  -5.559
  143    HA   CYS  20           HA       CYS  20  -5.483   0.977  -3.256
  144   1HB   CYS  20           HB2      CYS  20  -5.971   3.162  -4.317
  145   2HB   CYS  20           HB1      CYS  20  -6.398   2.374  -5.806
  146    H    ASN  21           HN       ASN  21  -7.958   0.111  -4.328
  147    HA   ASN  21           HA       ASN  21  -8.705  -2.153  -4.591
  148   1HB   ASN  21           HB2      ASN  21  -8.917  -2.248  -7.209
  149   2HB   ASN  21           HB1      ASN  21  -9.718  -0.948  -6.345
  150   1HD2  ASN  21          HD22      ASN  21  -6.175   0.207  -8.034
  151   2HD2  ASN  21          HD21      ASN  21  -6.237  -1.203  -7.068
  152   1H    PHE   1           HT2      PHE   1   5.923  13.508   2.496
  153   2H    PHE   1           HT1      PHE   1   4.533  12.793   1.819
  154   3H    PHE   1           HT3      PHE   1   4.393  13.785   3.162
  155    HA   PHE   1           HA       PHE   1   4.671  12.071   4.557
  156   1HB   PHE   1           HB2      PHE   1   3.829  10.846   2.234
  157   2HB   PHE   1           HB1      PHE   1   5.441  10.153   2.285
  158    HD1  PHE   1           HD1      PHE   1   2.475  10.823   4.511
  159    HD2  PHE   1           HD2      PHE   1   5.804   8.363   3.630
  160    HE1  PHE   1           HE1      PHE   1   1.785   9.274   6.271
  161    HE2  PHE   1           HE2      PHE   1   5.132   6.794   5.398
  162    HZ   PHE   1           HZ       PHE   1   3.109   7.251   6.723
  163    H    VAL   2           HN       VAL   2   6.970   9.944   4.626
  164    HA   VAL   2           HA       VAL   2   9.298  11.778   4.254
  165    HB   VAL   2           HB       VAL   2   8.580  11.958   6.637
  166   1HG1  VAL   2          HG12      VAL   2   7.362   9.744   6.926
  167   2HG1  VAL   2          HG11      VAL   2   8.926   8.927   6.969
  168   3HG1  VAL   2          HG13      VAL   2   8.520  10.094   8.184
  169   1HG2  VAL   2          HG21      VAL   2  10.989  11.921   6.180
  170   2HG2  VAL   2          HG23      VAL   2  10.668  11.152   7.720
  171   3HG2  VAL   2          HG22      VAL   2  11.030  10.173   6.311
  172    H    ASN   3           HN       ASN   3   8.514   8.514   5.362
  173    HA   ASN   3           HA       ASN   3  10.037   7.526   3.184
  174   1HB   ASN   3           HB2      ASN   3  11.275   7.294   5.572
  175   2HB   ASN   3           HB1      ASN   3  10.011   6.109   5.963
  176   1HD2  ASN   3          HD22      ASN   3  13.054   4.651   4.147
  177   2HD2  ASN   3          HD21      ASN   3  13.159   6.022   5.166
  178    H    GLN   4           HN       GLN   4   9.219   4.843   3.063
  179    HA   GLN   4           HA       GLN   4   6.298   5.057   3.662
  180   1HB   GLN   4           HB2      GLN   4   7.569   4.648   1.039
  181   2HB   GLN   4           HB1      GLN   4   5.861   4.593   1.253
  182   1HG   GLN   4           HG2      GLN   4   6.030   7.115   1.957
  183   2HG   GLN   4           HG1      GLN   4   7.697   7.031   1.481
  184   1HE2  GLN   4          HE22      GLN   4   6.813   7.746  -1.794
  185   2HE2  GLN   4          HE21      GLN   4   7.937   7.968  -0.537
  186    H    HIS   5           HN       HIS   5   8.506   2.541   2.575
  187    HA   HIS   5           HA       HIS   5   7.431   0.339   1.982
  188   1HB   HIS   5           HB2      HIS   5   8.774   0.009   4.548
  189   2HB   HIS   5           HB1      HIS   5   8.748  -0.944   3.073
  190    HD1  HIS   5           HD1      HIS   5  10.444  -0.491   1.494
  191    HD2  HIS   5           HD2      HIS   5  10.290   2.437   4.279
  192    HE1  HIS   5           HE1      HIS   5  12.414   1.034   1.045
  193    H    LEU   6           HN       LEU   6   5.817  -1.174   2.355
  194    HA   LEU   6           HA       LEU   6   4.676  -1.379   5.150
  195   1HB   LEU   6           HB2      LEU   6   3.021  -1.525   2.660
  196   2HB   LEU   6           HB1      LEU   6   2.514  -1.742   4.331
  197    HG   LEU   6           HG       LEU   6   3.995   0.770   3.589
  198   1HD1  LEU   6          HD12      LEU   6   1.977   0.497   2.134
  199   2HD1  LEU   6          HD11      LEU   6   0.976   0.296   3.562
  200   3HD1  LEU   6          HD13      LEU   6   1.819   1.803   3.287
  201   1HD2  LEU   6          HD23      LEU   6   2.017  -0.015   5.751
  202   2HD2  LEU   6          HD22      LEU   6   3.758   0.147   5.957
  203   3HD2  LEU   6          HD21      LEU   6   2.806   1.554   5.565
  204    H    CYS   7           HN       CYS   7   4.751  -3.414   2.293
  205    HA   CYS   7           HA       CYS   7   4.887  -5.724   2.047
  206   1HB   CYS   7           HB2      CYS   7   5.527  -5.868   5.020
  207   2HB   CYS   7           HB1      CYS   7   6.097  -6.938   3.773
  208    H    GLY   8           HN       GLY   8   3.315  -5.884   5.242
  209   1HA   GLY   8           HA2      GLY   8   1.377  -7.812   3.909
  210   2HA   GLY   8           HA1      GLY   8   1.990  -8.084   5.524
  211    H    SER   9           HN       SER   9   0.305  -8.012   6.823
  212    HA   SER   9           HA       SER   9  -2.215  -7.006   6.621
  213   1HB   SER   9           HB2      SER   9  -0.538  -6.643   9.166
  214   2HB   SER   9           HB1      SER   9  -2.297  -6.879   9.055
  215    HG   SER   9           HG1      SER   9  -1.859  -8.992   8.857
  216    H    HIS  10           HN       HIS  10   0.394  -4.957   7.996
  217    HA   HIS  10           HA       HIS  10  -1.085  -2.622   8.128
  218   1HB   HIS  10           HB2      HIS  10   1.428  -1.613   7.739
  219   2HB   HIS  10           HB1      HIS  10   1.015  -2.445   9.226
  220    HD1  HIS  10           HD1      HIS  10   3.688  -2.722   9.098
  221    HD2  HIS  10           HD2      HIS  10   1.588  -5.044   6.542
  222    HE1  HIS  10           HE1      HIS  10   5.211  -4.577   8.429
  223    H    LEU  11           HN       LEU  11   1.118  -3.554   5.500
  224    HA   LEU  11           HA       LEU  11   0.637  -1.590   3.595
  225   1HB   LEU  11           HB2      LEU  11   2.168  -3.662   3.310
  226   2HB   LEU  11           HB1      LEU  11   0.774  -4.637   2.986
  227    HG   LEU  11           HG       LEU  11   1.425  -2.196   1.364
  228   1HD1  LEU  11          HD11      LEU  11   2.111  -5.181   0.900
  229   2HD1  LEU  11          HD13      LEU  11   2.376  -3.907  -0.277
  230   3HD1  LEU  11          HD12      LEU  11   3.287  -3.915   1.207
  231   1HD2  LEU  11          HD22      LEU  11  -0.227  -4.707   0.733
  232   2HD2  LEU  11          HD21      LEU  11  -0.889  -3.104   0.989
  233   3HD2  LEU  11          HD23      LEU  11   0.114  -3.402  -0.391
  234    H    VAL  12           HN       VAL  12  -1.220  -4.485   3.670
  235    HA   VAL  12           HA       VAL  12  -3.233  -3.530   1.846
  236    HB   VAL  12           HB       VAL  12  -4.697  -5.400   2.788
  237   1HG1  VAL  12          HG11      VAL  12  -3.375  -5.633   0.738
  238   2HG1  VAL  12          HG13      VAL  12  -1.951  -6.060   1.663
  239   3HG1  VAL  12          HG12      VAL  12  -3.341  -7.130   1.637
  240   1HG2  VAL  12          HG21      VAL  12  -2.108  -6.079   4.215
  241   2HG2  VAL  12          HG23      VAL  12  -3.643  -5.690   4.977
  242   3HG2  VAL  12          HG22      VAL  12  -3.464  -7.156   4.036
  243    H    GLU  13           HN       GLU  13  -3.603  -3.809   5.426
  244    HA   GLU  13           HA       GLU  13  -6.142  -2.749   5.618
  245   1HB   GLU  13           HB2      GLU  13  -4.418  -3.899   7.222
  246   2HB   GLU  13           HB1      GLU  13  -3.742  -2.309   7.466
  247   1HG   GLU  13           HG2      GLU  13  -5.336  -2.619   9.215
  248   2HG   GLU  13           HG1      GLU  13  -6.207  -1.633   8.032
  249    H    ALA  14           HN       ALA  14  -3.086  -1.158   5.672
  250    HA   ALA  14           HA       ALA  14  -3.791   1.527   5.901
  251   1HB   ALA  14           HB2      ALA  14  -1.636   0.118   4.400
  252   2HB   ALA  14           HB1      ALA  14  -1.552   1.818   4.880
  253   3HB   ALA  14           HB3      ALA  14  -1.627   0.528   6.108
  254    H    LEU  15           HN       LEU  15  -2.804   0.245   2.617
  255    HA   LEU  15           HA       LEU  15  -3.984   2.571   1.505
  256   1HB   LEU  15           HB2      LEU  15  -4.426   0.667  -0.584
  257   2HB   LEU  15           HB1      LEU  15  -3.124   1.782  -0.478
  258    HG   LEU  15           HG       LEU  15  -1.708   0.127   0.611
  259   1HD1  LEU  15          HD12      LEU  15  -4.280  -1.466   0.137
  260   2HD1  LEU  15          HD11      LEU  15  -2.756  -2.170   0.660
  261   3HD1  LEU  15          HD13      LEU  15  -3.668  -1.120   1.723
  262   1HD2  LEU  15          HD21      LEU  15  -1.933   0.158  -1.886
  263   2HD2  LEU  15          HD23      LEU  15  -1.616  -1.447  -1.253
  264   3HD2  LEU  15          HD22      LEU  15  -3.234  -1.006  -1.744
  265    OH   TYR  16           OH       TYR  16 -13.142  -2.739   3.040
  266    H    TYR  16           HN       TYR  16  -5.372  -0.480   2.484
  267    HA   TYR  16           HA       TYR  16  -7.739  -0.356   1.153
  268   1HB   TYR  16           HB2      TYR  16  -7.078  -2.305   2.607
  269   2HB   TYR  16           HB1      TYR  16  -7.340  -1.341   4.020
  270    HD1  TYR  16           HD2      TYR  16  -9.065  -2.976   1.210
  271    HD2  TYR  16           HD1      TYR  16  -9.493  -0.751   4.800
  272    HE1  TYR  16           HE2      TYR  16 -11.404  -3.503   1.244
  273    HE2  TYR  16           HE1      TYR  16 -11.840  -1.268   4.833
  274    HH   TYR  16           HH       TYR  16 -13.556  -1.983   3.493
  275    H    LEU  17           HN       LEU  17  -6.958   1.166   4.183
  276    HA   LEU  17           HA       LEU  17  -9.567   2.407   4.650
  277   1HB   LEU  17           HB2      LEU  17  -7.244   3.998   5.667
  278   2HB   LEU  17           HB1      LEU  17  -8.705   3.489   6.503
  279    HG   LEU  17           HG       LEU  17  -6.497   1.837   5.678
  280   1HD1  LEU  17          HD13      LEU  17  -7.103   3.065   8.427
  281   2HD1  LEU  17          HD12      LEU  17  -5.840   1.867   8.191
  282   3HD1  LEU  17          HD11      LEU  17  -5.715   3.439   7.416
  283   1HD2  LEU  17          HD23      LEU  17  -8.609   0.559   6.150
  284   2HD2  LEU  17          HD22      LEU  17  -7.485   0.185   7.430
  285   3HD2  LEU  17          HD21      LEU  17  -8.775   1.345   7.703
  286    H    VAL  18           HN       VAL  18  -6.500   3.415   3.360
  287    HA   VAL  18           HA       VAL  18  -7.115   6.015   2.780
  288    HB   VAL  18           HB       VAL  18  -5.348   4.092   1.189
  289   1HG1  VAL  18          HG12      VAL  18  -5.365   7.152   1.024
  290   2HG1  VAL  18          HG11      VAL  18  -4.193   6.114   0.245
  291   3HG1  VAL  18          HG13      VAL  18  -5.859   6.081  -0.267
  292   1HG2  VAL  18          HG22      VAL  18  -4.716   6.296   3.221
  293   2HG2  VAL  18          HG21      VAL  18  -4.685   4.581   3.577
  294   3HG2  VAL  18          HG23      VAL  18  -3.526   5.267   2.450
  295    H    CYS  19           HN       CYS  19  -7.401   3.462   0.458
  296    HA   CYS  19           HA       CYS  19  -9.716   4.695  -0.994
  297   1HB   CYS  19           HB2      CYS  19  -7.694   5.482  -2.072
  298   2HB   CYS  19           HB1      CYS  19  -7.027   3.876  -2.124
  299    H    GLY  20           HN       GLY  20  -8.898   2.253   0.695
  300   1HA   GLY  20           HA2      GLY  20  -9.402  -0.042  -0.949
  301   2HA   GLY  20           HA1      GLY  20  -9.457  -0.109   0.802
  302    H    GLU  21           HN       GLU  21 -11.317   1.284   1.535
  303    HA   GLU  21           HA       GLU  21 -13.574  -0.195   1.762
  304   1HB   GLU  21           HB2      GLU  21 -12.757   2.432   2.308
  305   2HB   GLU  21           HB1      GLU  21 -14.181   2.721   1.330
  306   1HG   GLU  21           HG2      GLU  21 -14.827   2.508   3.734
  307   2HG   GLU  21           HG1      GLU  21 -15.405   1.056   2.936
  308    NH1  ARG  22           NH2      ARG  22 -10.414   4.249  -5.862
  309    NH2  ARG  22           NH1      ARG  22  -9.521   2.452  -6.757
  310    H    ARG  22           HN       ARG  22 -12.624   1.337  -0.988
  311    HA   ARG  22           HA       ARG  22 -14.980   1.075  -2.697
  312   1HB   ARG  22           HB2      ARG  22 -13.600   3.063  -2.723
  313   2HB   ARG  22           HB1      ARG  22 -12.134   2.150  -2.923
  314   1HG   ARG  22           HG2      ARG  22 -14.275   2.001  -5.050
  315   2HG   ARG  22           HG1      ARG  22 -13.250   3.417  -4.969
  316   1HD   ARG  22           HD2      ARG  22 -12.168   0.567  -5.198
  317   2HD   ARG  22           HD1      ARG  22 -12.373   1.661  -6.552
  318    HE   ARG  22           HE       ARG  22 -10.505   2.252  -4.190
  319   1HH1  ARG  22          HH21      ARG  22 -11.026   4.560  -5.149
  320   2HH1  ARG  22          HH22      ARG  22  -9.946   4.863  -6.476
  321   1HH2  ARG  22          HH11      ARG  22  -9.462   1.460  -6.723
  322   2HH2  ARG  22          HH12      ARG  22  -8.993   2.939  -7.435
  323    H    GLY  23           HN       GLY  23 -11.630  -0.694  -2.810
  324   1HA   GLY  23           HA2      GLY  23 -12.985  -3.058  -3.758
  325   2HA   GLY  23           HA1      GLY  23 -12.230  -2.200  -5.100
  326    H    PHE  24           HN       PHE  24 -10.985  -2.153  -1.896
  327    HA   PHE  24           HA       PHE  24  -8.453  -3.447  -2.867
  328   1HB   PHE  24           HB2      PHE  24  -8.324  -1.188  -2.103
  329   2HB   PHE  24           HB1      PHE  24  -8.743  -1.777  -0.460
  330    HD1  PHE  24           HD1      PHE  24  -6.470  -2.127  -3.281
  331    HD2  PHE  24           HD2      PHE  24  -7.143  -3.015   0.819
  332    HE1  PHE  24           HE1      PHE  24  -4.276  -3.066  -3.151
  333    HE2  PHE  24           HE2      PHE  24  -4.935  -3.978   0.977
  334    HZ   PHE  24           HZ       PHE  24  -3.537  -4.008  -1.086
  335    OH   TYR  25           OH       TYR  25  -5.804  -5.566   5.912
  336    H    TYR  25           HN       TYR  25  -7.257  -4.619  -1.745
  337    HA   TYR  25           HA       TYR  25  -6.301  -5.904   0.125
  338   1HB   TYR  25           HB2      TYR  25  -9.183  -6.269   0.842
  339   2HB   TYR  25           HB1      TYR  25  -8.340  -7.778   0.801
  340    HD1  TYR  25           HD1      TYR  25  -6.390  -8.170   2.299
  341    HD2  TYR  25           HD2      TYR  25  -8.604  -4.571   2.483
  342    HE1  TYR  25           HE1      TYR  25  -5.374  -7.585   4.515
  343    HE2  TYR  25           HE2      TYR  25  -7.551  -4.018   4.680
  344    HH   TYR  25           HH       TYR  25  -6.396  -4.996   6.441
  345    H    THR  26           HN       THR  26  -5.813  -6.118  -2.301
  346    HA   THR  26           HA       THR  26  -6.129  -8.947  -3.173
  347    HB   THR  26           HB       THR  26  -5.510  -8.067  -5.494
  348    HG1  THR  26           HG1      THR  26  -5.860  -5.467  -4.911
  349   1HG2  THR  26          HG23      THR  26  -7.573  -6.268  -4.114
  350   2HG2  THR  26          HG22      THR  26  -7.463  -6.595  -5.821
  351   3HG2  THR  26          HG21      THR  26  -7.984  -7.864  -4.715
  352    HA   PRO  27           HA       PRO  27  -1.529  -8.728  -3.607
  353   1HB   PRO  27           HB2      PRO  27  -0.128  -6.476  -3.595
  354   2HB   PRO  27           HB1      PRO  27  -1.486  -6.640  -4.723
  355   1HG   PRO  27           HG2      PRO  27  -1.448  -5.137  -2.056
  356   2HG   PRO  27           HG1      PRO  27  -2.242  -4.682  -3.572
  357   1HD   PRO  27           HD2      PRO  27  -3.446  -6.160  -1.373
  358   2HD   PRO  27           HD1      PRO  27  -4.168  -5.690  -2.924
  359    H    LYS  28           HN       LYS  28   0.511  -9.119  -2.558
  360    HA   LYS  28           HA       LYS  28   1.017  -8.433   0.114
  361   1HB   LYS  28           HB2      LYS  28  -0.498 -10.292   0.562
  362   2HB   LYS  28           HB1      LYS  28   0.065 -11.189  -0.820
  363   1HG   LYS  28           HG2      LYS  28   1.898 -10.680   1.578
  364   2HG   LYS  28           HG1      LYS  28   0.791 -12.040   1.560
  365   1HD   LYS  28           HD2      LYS  28   1.873 -12.840  -0.614
  366   2HD   LYS  28           HD1      LYS  28   3.007 -11.531  -0.548
  367   1HE   LYS  28           HE2      LYS  28   3.589 -12.432   1.840
  368   2HE   LYS  28           HE1      LYS  28   2.955 -13.940   1.184
  369   1HZ   LYS  28           HZ2      LYS  28   4.590 -12.545  -0.747
  370   2HZ   LYS  28           HZ1      LYS  28   5.387 -12.576   0.576
  371   3HZ   LYS  28           HZ3      LYS  28   4.965 -14.084  -0.100
  372    H    THR  29           HN       THR  29   3.204  -8.714   0.501
  373    HA   THR  29           HA       THR  29   4.898  -9.256  -1.776
  374    HB   THR  29           HB       THR  29   5.173  -7.021  -0.490
  375    HG1  THR  29           HG1      THR  29   7.056  -9.053  -0.804
  376   1HG2  THR  29          HG21      THR  29   5.155  -8.179   1.866
  377   2HG2  THR  29          HG23      THR  29   6.679  -8.895   1.403
  378   3HG2  THR  29          HG22      THR  29   6.561  -7.170   1.544
   
  Start of MODEL          19
 Raw file had  378 H/Q atoms
  Start of MODEL   19
    1   1H    GLY   1           HT3      GLY   1   5.888  -7.213  -6.179
    2   2H    GLY   1           HT2      GLY   1   5.195  -8.053  -7.411
    3   3H    GLY   1           HT1      GLY   1   6.809  -7.621  -7.520
    4   1HA   GLY   1           HA1      GLY   1   6.416  -5.655  -8.398
    5   2HA   GLY   1           HA2      GLY   1   4.757  -6.170  -8.602
    6    H    ILE   2           HN       ILE   2   3.203  -5.471  -6.984
    7    HA   ILE   2           HA       ILE   2   3.783  -2.738  -6.077
    8    HB   ILE   2           HB       ILE   2   1.704  -3.230  -7.242
    9   1HG1  ILE   2          HG12      ILE   2   0.213  -2.131  -5.874
   10   2HG1  ILE   2          HG11      ILE   2   0.876  -2.732  -4.361
   11   1HG2  ILE   2          HG21      ILE   2   1.378  -5.653  -6.465
   12   2HG2  ILE   2          HG23      ILE   2   0.973  -5.044  -4.876
   13   3HG2  ILE   2          HG22      ILE   2  -0.051  -4.676  -6.236
   14   1HD1  ILE   2           HD2      ILE   2   2.197  -0.732  -6.279
   15   2HD1  ILE   2           HD1      ILE   2   1.454  -0.355  -4.728
   16   3HD1  ILE   2           HD3      ILE   2   2.913  -1.288  -4.779
   17    H    VAL   3           HN       VAL   3   2.722  -5.706  -4.322
   18    HA   VAL   3           HA       VAL   3   2.952  -4.299  -1.815
   19    HB   VAL   3           HB       VAL   3   3.365  -7.298  -2.431
   20   1HG1  VAL   3          HG11      VAL   3   4.164  -6.638  -0.134
   21   2HG1  VAL   3          HG13      VAL   3   2.552  -6.013   0.197
   22   3HG1  VAL   3          HG12      VAL   3   2.791  -7.725  -0.097
   23   1HG2  VAL   3          HG23      VAL   3   0.911  -5.721  -1.520
   24   2HG2  VAL   3          HG22      VAL   3   1.172  -6.412  -3.111
   25   3HG2  VAL   3          HG21      VAL   3   0.971  -7.468  -1.721
   26    H    GLU   4           HN       GLU   4   5.076  -6.169  -3.792
   27    HA   GLU   4           HA       GLU   4   7.439  -6.171  -2.402
   28   1HB   GLU   4           HB2      GLU   4   6.817  -5.789  -5.303
   29   2HB   GLU   4           HB1      GLU   4   8.472  -5.611  -4.802
   30   1HG   GLU   4           HG2      GLU   4   8.653  -7.889  -4.026
   31   2HG   GLU   4           HG1      GLU   4   6.921  -8.159  -4.105
   32    H    GLN   5           HN       GLN   5   6.033  -3.684  -4.489
   33    HA   GLN   5           HA       GLN   5   7.758  -1.519  -4.423
   34   1HB   GLN   5           HB2      GLN   5   5.535  -1.649  -5.649
   35   2HB   GLN   5           HB1      GLN   5   4.783  -1.144  -4.137
   36   1HG   GLN   5           HG2      GLN   5   5.118   0.826  -5.495
   37   2HG   GLN   5           HG1      GLN   5   6.034   0.905  -3.991
   38   1HE2  GLN   5          HE22      GLN   5   7.950   0.564  -7.470
   39   2HE2  GLN   5          HE21      GLN   5   6.265   0.297  -7.418
   40    H    CYS   6           HN       CYS   6   5.015  -1.807  -2.282
   41    HA   CYS   6           HA       CYS   6   5.999   0.229  -0.310
   42   1HB   CYS   6           HB2      CYS   6   3.724  -1.776  -0.479
   43   2HB   CYS   6           HB1      CYS   6   3.809  -0.648   0.832
   44    H    CYS   7           HN       CYS   7   6.449  -3.154  -0.397
   45    HA   CYS   7           HA       CYS   7   7.285  -3.265   2.315
   46   1HB   CYS   7           HB2      CYS   7   7.210  -5.032  -0.038
   47   2HB   CYS   7           HB1      CYS   7   8.097  -5.532   1.411
   48    H    THR   8           HN       THR   8   8.775  -2.808  -0.731
   49    HA   THR   8           HA       THR   8  11.603  -2.939   0.226
   50    HB   THR   8           HB       THR   8  10.723  -3.802  -2.184
   51    HG1  THR   8           HG1      THR   8  12.964  -2.161  -1.487
   52   1HG2  THR   8          HG22      THR   8   9.979  -1.504  -2.995
   53   2HG2  THR   8          HG21      THR   8  11.640  -0.967  -2.829
   54   3HG2  THR   8          HG23      THR   8  11.250  -2.254  -3.940
   55    H    SER   9           HN       SER   9   9.403  -0.702  -1.146
   56    HA   SER   9           HA       SER   9  11.168   1.522  -0.756
   57   1HB   SER   9           HB2      SER   9   8.558   1.402  -2.287
   58   2HB   SER   9           HB1      SER   9   9.665   2.781  -2.242
   59    HG   SER   9           HG1      SER   9   9.738   0.917  -3.986
   60    H    ILE  10           HN       ILE  10   9.518   3.591  -0.394
   61    HA   ILE  10           HA       ILE  10   8.098   2.906   2.002
   62    HB   ILE  10           HB       ILE  10   9.632   5.110   1.085
   63   1HG1  ILE  10          HG12      ILE  10  10.373   4.387   3.674
   64   2HG1  ILE  10          HG11      ILE  10   9.812   2.875   2.980
   65   1HG2  ILE  10          HG21      ILE  10   7.915   5.123   3.522
   66   2HG2  ILE  10          HG23      ILE  10   9.236   6.266   3.191
   67   3HG2  ILE  10          HG22      ILE  10   7.843   6.226   2.120
   68   1HD1  ILE  10           HD2      ILE  10  11.841   4.670   1.632
   69   2HD1  ILE  10           HD1      ILE  10  12.197   3.207   2.536
   70   3HD1  ILE  10           HD3      ILE  10  11.282   3.112   1.048
   71    H    CYS  11           HN       CYS  11   7.263   3.378  -0.905
   72    HA   CYS  11           HA       CYS  11   5.589   4.293  -2.191
   73   1HB   CYS  11           HB2      CYS  11   4.664   2.780   0.147
   74   2HB   CYS  11           HB1      CYS  11   3.373   3.496  -0.757
   75    H    SER  12           HN       SER  12   3.514   5.539  -2.523
   76    HA   SER  12           HA       SER  12   3.261   7.875  -0.782
   77   1HB   SER  12           HB2      SER  12   3.125   9.278  -2.870
   78   2HB   SER  12           HB1      SER  12   4.619   8.329  -2.929
   79    HG   SER  12           HG1      SER  12   3.809   7.088  -4.387
   80    H    LEU  13           HN       LEU  13   1.342   9.026  -1.765
   81    HA   LEU  13           HA       LEU  13  -0.984   7.553  -1.133
   82   1HB   LEU  13           HB2      LEU  13  -0.744  10.285  -2.548
   83   2HB   LEU  13           HB1      LEU  13  -2.223   9.632  -1.928
   84    HG   LEU  13           HG       LEU  13  -1.173   9.610   0.411
   85   1HD1  LEU  13          HD11      LEU  13   0.918  11.346  -0.968
   86   2HD1  LEU  13          HD13      LEU  13   0.719  11.166   0.764
   87   3HD1  LEU  13          HD12      LEU  13   1.235   9.799  -0.177
   88   1HD2  LEU  13          HD21      LEU  13  -1.389  12.266  -1.073
   89   2HD2  LEU  13          HD23      LEU  13  -2.731  11.367  -0.392
   90   3HD2  LEU  13          HD22      LEU  13  -1.521  12.069   0.668
   91    OH   TYR  14           OH       TYR  14  -0.360  14.079  -4.709
   92    H    TYR  14           HN       TYR  14  -0.011   9.046  -4.069
   93    HA   TYR  14           HA       TYR  14  -1.729   8.151  -6.061
   94   1HB   TYR  14           HB2      TYR  14   1.341   8.395  -6.328
   95   2HB   TYR  14           HB1      TYR  14   0.131   8.692  -7.586
   96    HD1  TYR  14           HD1      TYR  14  -1.936  10.212  -6.407
   97    HD2  TYR  14           HD2      TYR  14   2.233  10.489  -5.592
   98    HE1  TYR  14           HE1      TYR  14  -2.257  12.479  -5.626
   99    HE2  TYR  14           HE2      TYR  14   1.877  12.821  -4.797
  100    HH   TYR  14           HH       TYR  14  -1.294  14.158  -4.505
  101    H    GLN  15           HN       GLN  15   1.001   6.601  -4.676
  102    HA   GLN  15           HA       GLN  15   0.904   4.095  -6.088
  103   1HB   GLN  15           HB2      GLN  15   1.979   5.263  -3.618
  104   2HB   GLN  15           HB1      GLN  15   2.110   3.524  -3.800
  105   1HG   GLN  15           HG2      GLN  15   3.128   4.118  -6.185
  106   2HG   GLN  15           HG1      GLN  15   3.043   5.797  -5.701
  107   1HE2  GLN  15          HE22      GLN  15   5.742   3.338  -4.110
  108   2HE2  GLN  15          HE21      GLN  15   4.406   2.717  -4.964
  109    H    LEU  16           HN       LEU  16  -0.194   4.568  -2.586
  110    HA   LEU  16           HA       LEU  16  -1.771   2.381  -2.412
  111   1HB   LEU  16           HB2      LEU  16  -2.152   5.229  -1.376
  112   2HB   LEU  16           HB1      LEU  16  -3.304   4.004  -0.936
  113    HG   LEU  16           HG       LEU  16  -1.270   2.632  -0.161
  114   1HD1  LEU  16          HD12      LEU  16   0.015   5.316  -0.104
  115   2HD1  LEU  16          HD11      LEU  16   0.625   3.869   0.676
  116   3HD1  LEU  16          HD13      LEU  16   0.539   3.928  -1.066
  117   1HD2  LEU  16          HD22      LEU  16  -2.042   5.287   1.157
  118   2HD2  LEU  16          HD21      LEU  16  -2.937   3.793   1.315
  119   3HD2  LEU  16          HD23      LEU  16  -1.360   3.948   2.054
  120    H    GLU  17           HN       GLU  17  -3.159   5.417  -3.661
  121    HA   GLU  17           HA       GLU  17  -5.692   4.344  -4.217
  122   1HB   GLU  17           HB2      GLU  17  -6.005   6.566  -5.423
  123   2HB   GLU  17           HB1      GLU  17  -5.285   6.739  -3.841
  124   1HG   GLU  17           HG2      GLU  17  -3.005   6.692  -5.147
  125   2HG   GLU  17           HG1      GLU  17  -3.977   7.133  -6.529
  126    H    ASN  18           HN       ASN  18  -2.982   4.884  -6.507
  127    HA   ASN  18           HA       ASN  18  -4.386   3.739  -8.773
  128   1HB   ASN  18           HB2      ASN  18  -1.432   4.156  -8.139
  129   2HB   ASN  18           HB1      ASN  18  -1.889   3.314  -9.597
  130   1HD2  ASN  18          HD22      ASN  18  -2.541   6.287 -11.245
  131   2HD2  ASN  18          HD21      ASN  18  -2.373   4.587 -11.376
  132    OH   TYR  19           OH       TYR  19   2.857   1.284  -9.436
  133    H    TYR  19           HN       TYR  19  -2.735   2.452  -6.109
  134    HA   TYR  19           HA       TYR  19  -2.975  -0.374  -7.043
  135   1HB   TYR  19           HB2      TYR  19  -1.174   0.825  -4.907
  136   2HB   TYR  19           HB1      TYR  19  -1.180  -0.844  -5.353
  137    HD1  TYR  19           HD1      TYR  19  -0.864  -0.992  -8.212
  138    HD2  TYR  19           HD2      TYR  19   0.725   1.903  -5.546
  139    HE1  TYR  19           HE1      TYR  19   0.933  -0.488  -9.801
  140    HE2  TYR  19           HE2      TYR  19   2.506   2.395  -7.155
  141    HH   TYR  19           HH       TYR  19   2.521   1.114 -10.319
  142    H    CYS  20           HN       CYS  20  -5.385   0.685  -5.815
  143    HA   CYS  20           HA       CYS  20  -5.346  -0.889  -3.233
  144   1HB   CYS  20           HB2      CYS  20  -7.164   0.709  -2.518
  145   2HB   CYS  20           HB1      CYS  20  -5.554   1.357  -2.673
  146    H    ASN  21           HN       ASN  21  -8.083   0.349  -5.063
  147    HA   ASN  21           HA       ASN  21  -9.891  -1.551  -4.485
  148   1HB   ASN  21           HB2      ASN  21 -10.687  -1.184  -7.008
  149   2HB   ASN  21           HB1      ASN  21 -10.799   0.121  -5.853
  150   1HD2  ASN  21          HD22      ASN  21  -7.466   0.503  -8.101
  151   2HD2  ASN  21          HD21      ASN  21  -7.732  -0.906  -7.163
  152   1H    PHE   1           HT1      PHE   1   5.348   6.179   3.327
  153   2H    PHE   1           HT3      PHE   1   3.908   6.897   2.846
  154   3H    PHE   1           HT2      PHE   1   4.950   6.195   1.722
  155    HA   PHE   1           HA       PHE   1   6.120   8.045   1.441
  156   1HB   PHE   1           HB2      PHE   1   5.158  10.181   2.601
  157   2HB   PHE   1           HB1      PHE   1   4.047   9.330   1.560
  158    HD1  PHE   1           HD1      PHE   1   2.212   7.957   2.538
  159    HD2  PHE   1           HD2      PHE   1   4.866  10.219   4.999
  160    HE1  PHE   1           HE1      PHE   1   0.681   7.705   4.428
  161    HE2  PHE   1           HE2      PHE   1   3.317   9.963   6.883
  162    HZ   PHE   1           HZ       PHE   1   1.230   8.709   6.601
  163    H    VAL   2           HN       VAL   2   5.637   7.503   4.959
  164    HA   VAL   2           HA       VAL   2   8.479   8.462   5.365
  165    HB   VAL   2           HB       VAL   2   6.704   9.877   6.537
  166   1HG1  VAL   2          HG13      VAL   2   4.959   8.062   6.946
  167   2HG1  VAL   2          HG12      VAL   2   6.035   7.346   8.145
  168   3HG1  VAL   2          HG11      VAL   2   5.389   8.943   8.390
  169   1HG2  VAL   2          HG21      VAL   2   8.933   9.594   7.586
  170   2HG2  VAL   2          HG23      VAL   2   7.698   9.705   8.821
  171   3HG2  VAL   2          HG22      VAL   2   8.392   8.149   8.412
  172    H    ASN   3           HN       ASN   3   5.982   6.443   6.287
  173    HA   ASN   3           HA       ASN   3   6.033   4.557   7.750
  174   1HB   ASN   3           HB2      ASN   3   6.225   3.815   4.818
  175   2HB   ASN   3           HB1      ASN   3   5.402   2.878   6.048
  176   1HD2  ASN   3          HD22      ASN   3   2.629   5.054   6.058
  177   2HD2  ASN   3          HD21      ASN   3   3.335   3.689   6.785
  178    H    GLN   4           HN       GLN   4   8.943   4.289   5.788
  179    HA   GLN   4           HA       GLN   4  10.919   3.025   6.099
  180   1HB   GLN   4           HB2      GLN   4   9.882   2.180   8.811
  181   2HB   GLN   4           HB1      GLN   4  11.532   2.531   8.309
  182   1HG   GLN   4           HG2      GLN   4  10.612   4.951   7.764
  183   2HG   GLN   4           HG1      GLN   4   9.271   4.506   8.785
  184   1HE2  GLN   4          HE22      GLN   4  11.082   5.235  11.684
  185   2HE2  GLN   4          HE21      GLN   4   9.538   4.957  11.002
  186    H    HIS   5           HN       HIS   5   8.831   2.186   4.946
  187    HA   HIS   5           HA       HIS   5   8.195   0.509   3.502
  188   1HB   HIS   5           HB2      HIS   5   9.641  -1.450   5.302
  189   2HB   HIS   5           HB1      HIS   5   9.072  -1.679   3.619
  190    HD1  HIS   5           HD1      HIS   5   9.942   0.064   1.975
  191    HD2  HIS   5           HD2      HIS   5  11.978  -0.164   5.429
  192    HE1  HIS   5           HE1      HIS   5  12.073   1.252   1.569
  193    H    LEU   6           HN       LEU   6   6.667  -1.184   3.434
  194    HA   LEU   6           HA       LEU   6   4.691  -1.045   5.683
  195   1HB   LEU   6           HB2      LEU   6   4.128  -1.300   2.831
  196   2HB   LEU   6           HB1      LEU   6   3.115  -0.958   4.224
  197    HG   LEU   6           HG       LEU   6   5.428   0.944   3.989
  198   1HD1  LEU   6          HD11      LEU   6   3.045   1.146   2.175
  199   2HD1  LEU   6          HD13      LEU   6   4.253   2.390   2.490
  200   3HD1  LEU   6          HD12      LEU   6   4.730   0.907   1.713
  201   1HD2  LEU   6          HD23      LEU   6   2.501   1.166   4.698
  202   2HD2  LEU   6          HD22      LEU   6   3.843   0.994   5.808
  203   3HD2  LEU   6          HD21      LEU   6   3.703   2.436   4.831
  204    H    CYS   7           HN       CYS   7   6.100  -3.616   3.738
  205    HA   CYS   7           HA       CYS   7   4.633  -5.741   3.640
  206   1HB   CYS   7           HB2      CYS   7   7.354  -5.330   4.409
  207   2HB   CYS   7           HB1      CYS   7   6.744  -6.715   5.282
  208    H    GLY   8           HN       GLY   8   2.867  -6.161   4.499
  209   1HA   GLY   8           HA2      GLY   8   1.747  -7.774   6.073
  210   2HA   GLY   8           HA1      GLY   8   2.718  -7.064   7.375
  211    H    SER   9           HN       SER   9   1.050  -6.277   8.617
  212    HA   SER   9           HA       SER   9  -1.341  -5.041   7.880
  213   1HB   SER   9           HB2      SER   9   0.447  -4.087  10.202
  214   2HB   SER   9           HB1      SER   9  -1.293  -3.848  10.045
  215    HG   SER   9           HG1      SER   9  -1.498  -5.786  10.787
  216    H    HIS  10           HN       HIS  10   1.371  -2.992   8.873
  217    HA   HIS  10           HA       HIS  10   0.750  -0.567   8.091
  218   1HB   HIS  10           HB2      HIS  10   3.071  -1.720   8.822
  219   2HB   HIS  10           HB1      HIS  10   3.453  -1.625   7.126
  220    HD1  HIS  10           HD1      HIS  10   5.289   0.180   7.801
  221    HD2  HIS  10           HD2      HIS  10   1.446   1.375   8.551
  222    HE1  HIS  10           HE1      HIS  10   5.374   2.584   8.287
  223    H    LEU  11           HN       LEU  11   1.769  -2.925   5.706
  224    HA   LEU  11           HA       LEU  11   1.343  -1.116   3.423
  225   1HB   LEU  11           HB2      LEU  11   3.073  -3.053   3.457
  226   2HB   LEU  11           HB1      LEU  11   1.818  -4.222   3.493
  227    HG   LEU  11           HG       LEU  11   2.021  -2.115   1.401
  228   1HD1  LEU  11          HD13      LEU  11   3.422  -4.825   1.594
  229   2HD1  LEU  11          HD12      LEU  11   3.414  -3.843   0.144
  230   3HD1  LEU  11          HD11      LEU  11   4.214  -3.272   1.582
  231   1HD2  LEU  11          HD22      LEU  11   0.982  -5.014   1.387
  232   2HD2  LEU  11          HD21      LEU  11  -0.054  -3.604   1.400
  233   3HD2  LEU  11          HD23      LEU  11   0.941  -3.929   0.007
  234    H    VAL  12           HN       VAL  12  -0.282  -4.115   4.272
  235    HA   VAL  12           HA       VAL  12  -2.475  -3.858   2.494
  236    HB   VAL  12           HB       VAL  12  -2.316  -4.899   5.177
  237   1HG1  VAL  12          HG12      VAL  12  -4.427  -5.538   3.051
  238   2HG1  VAL  12          HG11      VAL  12  -4.282  -6.446   4.545
  239   3HG1  VAL  12          HG13      VAL  12  -4.722  -4.756   4.593
  240   1HG2  VAL  12          HG22      VAL  12  -2.011  -6.326   2.503
  241   2HG2  VAL  12          HG21      VAL  12  -0.739  -6.045   3.681
  242   3HG2  VAL  12          HG23      VAL  12  -2.029  -7.172   4.041
  243    H    GLU  13           HN       GLU  13  -2.171  -2.764   5.663
  244    HA   GLU  13           HA       GLU  13  -4.591  -1.454   6.270
  245   1HB   GLU  13           HB2      GLU  13  -2.647  -2.487   7.551
  246   2HB   GLU  13           HB1      GLU  13  -1.734  -1.033   7.220
  247   1HG   GLU  13           HG2      GLU  13  -3.172   0.222   8.683
  248   2HG   GLU  13           HG1      GLU  13  -4.328  -1.117   8.767
  249    H    ALA  14           HN       ALA  14  -1.438  -0.136   5.273
  250    HA   ALA  14           HA       ALA  14  -1.859   2.543   4.851
  251   1HB   ALA  14           HB3      ALA  14  -0.596   0.689   2.718
  252   2HB   ALA  14           HB2      ALA  14  -0.333   2.388   2.798
  253   3HB   ALA  14           HB1      ALA  14   0.305   1.344   4.051
  254    H    LEU  15           HN       LEU  15  -2.305   0.171   2.449
  255    HA   LEU  15           HA       LEU  15  -3.759   1.633   0.575
  256   1HB   LEU  15           HB2      LEU  15  -3.492  -1.256   1.326
  257   2HB   LEU  15           HB1      LEU  15  -4.381  -0.796  -0.111
  258    HG   LEU  15           HG       LEU  15  -1.647   0.535   0.185
  259   1HD1  LEU  15          HD11      LEU  15  -2.134  -2.421  -0.526
  260   2HD1  LEU  15          HD13      LEU  15  -0.582  -1.593  -0.580
  261   3HD1  LEU  15          HD12      LEU  15  -1.378  -1.914   0.931
  262   1HD2  LEU  15          HD23      LEU  15  -3.217  -0.874  -1.948
  263   2HD2  LEU  15          HD22      LEU  15  -3.275   0.839  -1.658
  264   3HD2  LEU  15          HD21      LEU  15  -1.781   0.110  -2.210
  265    OH   TYR  16           OH       TYR  16 -10.229  -5.490   4.082
  266    H    TYR  16           HN       TYR  16  -5.033  -0.779   2.690
  267    HA   TYR  16           HA       TYR  16  -7.649  -0.768   2.476
  268   1HB   TYR  16           HB2      TYR  16  -5.791  -1.402   4.541
  269   2HB   TYR  16           HB1      TYR  16  -7.033  -0.492   5.353
  270    HD1  TYR  16           HD1      TYR  16  -9.409  -1.181   5.137
  271    HD2  TYR  16           HD2      TYR  16  -6.209  -3.490   3.588
  272    HE1  TYR  16           HE1      TYR  16 -10.891  -3.116   4.952
  273    HE2  TYR  16           HE2      TYR  16  -7.668  -5.418   3.400
  274    HH   TYR  16           HH       TYR  16  -9.665  -6.265   4.101
  275    H    LEU  17           HN       LEU  17  -6.066   1.594   4.314
  276    HA   LEU  17           HA       LEU  17  -8.576   3.093   4.579
  277   1HB   LEU  17           HB2      LEU  17  -5.945   2.995   5.915
  278   2HB   LEU  17           HB1      LEU  17  -6.634   4.622   5.853
  279    HG   LEU  17           HG       LEU  17  -8.423   2.512   6.343
  280   1HD1  LEU  17          HD11      LEU  17  -6.450   3.479   8.523
  281   2HD1  LEU  17          HD13      LEU  17  -7.826   2.457   8.903
  282   3HD1  LEU  17          HD12      LEU  17  -6.520   1.836   7.911
  283   1HD2  LEU  17          HD22      LEU  17  -9.177   4.829   6.400
  284   2HD2  LEU  17          HD21      LEU  17  -9.374   4.205   8.027
  285   3HD2  LEU  17          HD23      LEU  17  -8.006   5.233   7.642
  286    H    VAL  18           HN       VAL  18  -5.449   3.935   3.218
  287    HA   VAL  18           HA       VAL  18  -6.708   6.379   2.999
  288    HB   VAL  18           HB       VAL  18  -4.425   5.202   1.231
  289   1HG1  VAL  18          HG12      VAL  18  -5.143   8.155   1.542
  290   2HG1  VAL  18          HG11      VAL  18  -3.755   7.544   0.661
  291   3HG1  VAL  18          HG13      VAL  18  -5.370   7.213   0.085
  292   1HG2  VAL  18          HG22      VAL  18  -4.324   7.109   3.629
  293   2HG2  VAL  18          HG21      VAL  18  -3.910   5.405   3.688
  294   3HG2  VAL  18          HG23      VAL  18  -2.915   6.520   2.770
  295    H    CYS  19           HN       CYS  19  -6.839   3.576   1.213
  296    HA   CYS  19           HA       CYS  19  -8.895   4.637  -0.649
  297   1HB   CYS  19           HB2      CYS  19  -6.715   4.474  -1.794
  298   2HB   CYS  19           HB1      CYS  19  -6.693   2.770  -1.393
  299    H    GLY  20           HN       GLY  20  -7.747   1.708   0.850
  300   1HA   GLY  20           HA2      GLY  20  -9.055  -0.477  -0.016
  301   2HA   GLY  20           HA1      GLY  20  -9.257  -0.144   1.686
  302    H    GLU  21           HN       GLU  21 -10.709   1.807   1.799
  303    HA   GLU  21           HA       GLU  21 -13.307   1.256   2.065
  304   1HB   GLU  21           HB2      GLU  21 -12.252   3.403   2.576
  305   2HB   GLU  21           HB1      GLU  21 -11.996   3.786   0.914
  306   1HG   GLU  21           HG2      GLU  21 -14.656   3.620   0.645
  307   2HG   GLU  21           HG1      GLU  21 -14.717   3.534   2.387
  308    NH1  ARG  22           NH2      ARG  22 -12.562   4.332  -6.336
  309    NH2  ARG  22           NH1      ARG  22 -11.101   3.687  -7.897
  310    H    ARG  22           HN       ARG  22 -11.954   1.854  -1.073
  311    HA   ARG  22           HA       ARG  22 -14.514   1.334  -2.489
  312   1HB   ARG  22           HB2      ARG  22 -13.342   2.098  -4.495
  313   2HB   ARG  22           HB1      ARG  22 -12.924   3.176  -3.159
  314   1HG   ARG  22           HG2      ARG  22 -10.785   1.974  -2.805
  315   2HG   ARG  22           HG1      ARG  22 -11.141   0.851  -4.066
  316   1HD   ARG  22           HD2      ARG  22 -10.628   3.829  -4.391
  317   2HD   ARG  22           HD1      ARG  22  -9.566   2.510  -4.842
  318    HE   ARG  22           HE       ARG  22 -11.410   1.725  -6.460
  319   1HH1  ARG  22          HH21      ARG  22 -12.877   4.088  -5.423
  320   2HH1  ARG  22          HH22      ARG  22 -12.921   5.102  -6.845
  321   1HH2  ARG  22          HH11      ARG  22 -10.416   2.971  -8.040
  322   2HH2  ARG  22          HH12      ARG  22 -11.290   4.387  -8.568
  323    H    GLY  23           HN       GLY  23 -11.221  -0.462  -2.540
  324   1HA   GLY  23           HA2      GLY  23 -12.629  -2.965  -2.866
  325   2HA   GLY  23           HA1      GLY  23 -11.798  -2.457  -4.352
  326    H    PHE  24           HN       PHE  24 -10.494  -4.545  -3.536
  327    HA   PHE  24           HA       PHE  24  -8.194  -3.296  -2.218
  328   1HB   PHE  24           HB2      PHE  24  -9.845  -4.234  -0.385
  329   2HB   PHE  24           HB1      PHE  24  -9.167  -5.831  -0.793
  330    HD1  PHE  24           HD2      PHE  24  -8.349  -2.347  -0.053
  331    HD2  PHE  24           HD1      PHE  24  -6.853  -6.300  -0.232
  332    HE1  PHE  24           HE2      PHE  24  -6.248  -1.570   0.855
  333    HE2  PHE  24           HE1      PHE  24  -4.716  -5.547   0.688
  334    HZ   PHE  24           HZ       PHE  24  -4.422  -3.156   1.226
  335    OH   TYR  25           OH       TYR  25  -1.257  -2.688  -2.570
  336    H    TYR  25           HN       TYR  25  -7.766  -4.034  -4.554
  337    HA   TYR  25           HA       TYR  25  -7.042  -5.962  -6.002
  338   1HB   TYR  25           HB2      TYR  25  -5.171  -4.727  -6.747
  339   2HB   TYR  25           HB1      TYR  25  -6.240  -3.573  -5.987
  340    HD1  TYR  25           HD1      TYR  25  -5.599  -3.883  -3.055
  341    HD2  TYR  25           HD2      TYR  25  -3.059  -3.894  -6.463
  342    HE1  TYR  25           HE1      TYR  25  -3.697  -3.122  -1.641
  343    HE2  TYR  25           HE2      TYR  25  -1.184  -3.123  -4.968
  344    HH   TYR  25           HH       TYR  25  -1.430  -1.741  -2.532
  345    H    THR  26           HN       THR  26  -6.842  -7.537  -3.634
  346    HA   THR  26           HA       THR  26  -5.275  -8.967  -2.375
  347    HB   THR  26           HB       THR  26  -5.244 -11.069  -3.902
  348    HG1  THR  26           HG1      THR  26  -5.358  -9.078  -5.609
  349   1HG2  THR  26          HG22      THR  26  -7.298 -10.227  -2.538
  350   2HG2  THR  26          HG21      THR  26  -7.749  -9.312  -3.973
  351   3HG2  THR  26          HG23      THR  26  -7.691 -11.065  -4.040
  352    HA   PRO  27           HA       PRO  27  -1.900  -7.417  -5.008
  353   1HB   PRO  27           HB2      PRO  27  -0.649  -5.603  -3.528
  354   2HB   PRO  27           HB1      PRO  27  -2.363  -5.530  -3.918
  355   1HG   PRO  27           HG2      PRO  27  -1.276  -6.755  -1.320
  356   2HG   PRO  27           HG1      PRO  27  -2.237  -5.285  -1.470
  357   1HD   PRO  27           HD2      PRO  27  -3.531  -7.700  -1.222
  358   2HD   PRO  27           HD1      PRO  27  -4.161  -6.462  -2.338
  359    H    LYS  28           HN       LYS  28  -1.266  -9.158  -2.283
  360    HA   LYS  28           HA       LYS  28   0.611 -10.259  -1.317
  361   1HB   LYS  28           HB2      LYS  28   0.812 -12.311  -2.328
  362   2HB   LYS  28           HB1      LYS  28  -0.703 -11.723  -2.953
  363   1HG   LYS  28           HG2      LYS  28   1.901 -11.547  -4.537
  364   2HG   LYS  28           HG1      LYS  28   0.835 -12.910  -4.558
  365   1HD   LYS  28           HD2      LYS  28  -0.974 -11.793  -5.466
  366   2HD   LYS  28           HD1      LYS  28  -0.407 -10.226  -5.049
  367   1HE   LYS  28           HE2      LYS  28   1.221 -11.970  -6.940
  368   2HE   LYS  28           HE1      LYS  28  -0.078 -10.939  -7.549
  369   1HZ   LYS  28           HZ3      LYS  28   1.264  -9.257  -5.844
  370   2HZ   LYS  28           HZ2      LYS  28   2.524 -10.152  -6.420
  371   3HZ   LYS  28           HZ1      LYS  28   1.574  -9.246  -7.434
  372    H    THR  29           HN       THR  29   1.771  -9.570  -4.543
  373    HA   THR  29           HA       THR  29   4.276  -8.574  -3.583
  374    HB   THR  29           HB       THR  29   5.628  -9.918  -5.141
  375    HG1  THR  29           HG1      THR  29   4.758 -11.117  -6.445
  376   1HG2  THR  29          HG21      THR  29   5.273 -10.740  -2.892
  377   2HG2  THR  29          HG23      THR  29   3.843 -11.610  -3.410
  378   3HG2  THR  29          HG22      THR  29   5.429 -12.050  -4.050
   
  Start of MODEL          20
 Raw file had  378 H/Q atoms
  Start of MODEL   20
    1   1H    GLY   1           HT3      GLY   1   5.933  -6.348  -9.280
    2   2H    GLY   1           HT2      GLY   1   6.619  -5.934 -10.799
    3   3H    GLY   1           HT1      GLY   1   7.475  -6.785  -9.638
    4   1HA   GLY   1           HA1      GLY   1   8.206  -4.983  -8.579
    5   2HA   GLY   1           HA2      GLY   1   7.536  -4.009  -9.874
    6    H    ILE   2           HN       ILE   2   5.037  -3.575  -9.523
    7    HA   ILE   2           HA       ILE   2   4.354  -1.906  -7.604
    8    HB   ILE   2           HB       ILE   2   2.869  -2.647  -9.373
    9   1HG1  ILE   2          HG12      ILE   2   0.682  -3.227  -8.077
   10   2HG1  ILE   2          HG11      ILE   2   1.647  -2.950  -6.644
   11   1HG2  ILE   2          HG23      ILE   2   3.379  -5.083  -9.495
   12   2HG2  ILE   2          HG22      ILE   2   2.457  -5.371  -8.035
   13   3HG2  ILE   2          HG21      ILE   2   1.663  -4.775  -9.453
   14   1HD1  ILE   2           HD3      ILE   2   2.336  -0.730  -7.568
   15   2HD1  ILE   2           HD2      ILE   2   1.321  -1.001  -8.973
   16   3HD1  ILE   2           HD1      ILE   2   0.595  -0.860  -7.387
   17    H    VAL   3           HN       VAL   3   3.455  -5.198  -6.709
   18    HA   VAL   3           HA       VAL   3   2.976  -4.595  -4.033
   19    HB   VAL   3           HB       VAL   3   2.965  -7.125  -4.045
   20   1HG1  VAL   3          HG11      VAL   3   1.341  -5.728  -6.234
   21   2HG1  VAL   3          HG13      VAL   3   0.966  -7.297  -5.545
   22   3HG1  VAL   3          HG12      VAL   3   0.903  -5.865  -4.543
   23   1HG2  VAL   3          HG23      VAL   3   3.658  -6.899  -7.014
   24   2HG2  VAL   3          HG22      VAL   3   4.542  -7.754  -5.773
   25   3HG2  VAL   3          HG21      VAL   3   2.974  -8.301  -6.269
   26    H    GLU   4           HN       GLU   4   5.728  -6.446  -5.378
   27    HA   GLU   4           HA       GLU   4   7.154  -6.697  -3.031
   28   1HB   GLU   4           HB2      GLU   4   8.646  -5.910  -5.556
   29   2HB   GLU   4           HB1      GLU   4   9.029  -7.145  -4.378
   30   1HG   GLU   4           HG2      GLU   4   8.290  -8.614  -5.990
   31   2HG   GLU   4           HG1      GLU   4   6.696  -8.225  -5.410
   32    H    GLN   5           HN       GLN   5   6.856  -3.934  -5.145
   33    HA   GLN   5           HA       GLN   5   8.674  -2.062  -4.070
   34   1HB   GLN   5           HB2      GLN   5   7.382  -2.176  -6.285
   35   2HB   GLN   5           HB1      GLN   5   6.082  -1.372  -5.438
   36   1HG   GLN   5           HG2      GLN   5   8.980  -0.333  -5.573
   37   2HG   GLN   5           HG1      GLN   5   7.661   0.281  -6.557
   38   1HE2  GLN   5          HE22      GLN   5   6.256   1.186  -3.173
   39   2HE2  GLN   5          HE21      GLN   5   5.914  -0.232  -4.037
   40    H    CYS   6           HN       CYS   6   5.176  -2.219  -3.322
   41    HA   CYS   6           HA       CYS   6   5.776  -0.475  -0.932
   42   1HB   CYS   6           HB2      CYS   6   3.315  -2.003  -1.950
   43   2HB   CYS   6           HB1      CYS   6   3.260  -0.937  -0.547
   44    H    CYS   7           HN       CYS   7   5.746  -3.919  -1.226
   45    HA   CYS   7           HA       CYS   7   5.587  -4.224   1.580
   46   1HB   CYS   7           HB2      CYS   7   5.005  -6.032   0.382
   47   2HB   CYS   7           HB1      CYS   7   6.372  -5.936  -0.709
   48    H    THR   8           HN       THR   8   8.392  -4.201  -0.620
   49    HA   THR   8           HA       THR   8  10.213  -3.682   1.735
   50    HB   THR   8           HB       THR   8  10.966  -4.978  -0.941
   51    HG1  THR   8           HG1      THR   8  10.012  -5.738   1.440
   52   1HG2  THR   8          HG23      THR   8  12.514  -4.414   1.672
   53   2HG2  THR   8          HG22      THR   8  13.154  -5.286   0.289
   54   3HG2  THR   8          HG21      THR   8  12.883  -3.567   0.196
   55    H    SER   9           HN       SER   9   9.287  -2.133  -1.293
   56    HA   SER   9           HA       SER   9  11.637  -0.470  -1.134
   57   1HB   SER   9           HB2      SER   9   9.202  -0.029  -2.913
   58   2HB   SER   9           HB1      SER   9  10.766   0.733  -3.112
   59    HG   SER   9           HG1      SER   9  10.970  -2.005  -2.819
   60    H    ILE  10           HN       ILE  10  10.729   2.147  -1.428
   61    HA   ILE  10           HA       ILE  10   9.346   2.625   1.044
   62    HB   ILE  10           HB       ILE  10  10.926   4.189  -0.710
   63   1HG1  ILE  10          HG12      ILE  10  12.390   2.878  -0.002
   64   2HG1  ILE  10          HG11      ILE  10  12.580   4.240   1.100
   65   1HG2  ILE  10          HG21      ILE  10   9.847   4.889   2.079
   66   2HG2  ILE  10          HG23      ILE  10  10.963   5.936   1.219
   67   3HG2  ILE  10          HG22      ILE  10   9.336   5.704   0.611
   68   1HD1  ILE  10           HD2      ILE  10  11.108   2.969   2.707
   69   2HD1  ILE  10           HD1      ILE  10  11.127   1.656   1.548
   70   3HD1  ILE  10           HD3      ILE  10  12.631   2.170   2.293
   71    H    CYS  11           HN       CYS  11   7.356   2.417   0.678
   72    HA   CYS  11           HA       CYS  11   5.985   3.854  -1.513
   73   1HB   CYS  11           HB2      CYS  11   6.005   1.627  -1.595
   74   2HB   CYS  11           HB1      CYS  11   5.616   1.423   0.054
   75    H    SER  12           HN       SER  12   3.852   4.658  -1.340
   76    HA   SER  12           HA       SER  12   2.418   5.175   1.055
   77   1HB   SER  12           HB2      SER  12   4.562   6.623   1.468
   78   2HB   SER  12           HB1      SER  12   4.134   7.534   0.034
   79    HG   SER  12           HG1      SER  12   2.063   7.243   1.872
   80    H    LEU  13           HN       LEU  13   2.191   8.120  -0.147
   81    HA   LEU  13           HA       LEU  13  -0.397   8.273  -0.963
   82   1HB   LEU  13           HB2      LEU  13   1.967   9.727  -2.247
   83   2HB   LEU  13           HB1      LEU  13   0.302  10.241  -2.365
   84    HG   LEU  13           HG       LEU  13   1.734   9.940   0.330
   85   1HD1  LEU  13          HD12      LEU  13   1.157  12.393  -1.391
   86   2HD1  LEU  13          HD11      LEU  13   1.880  12.428   0.199
   87   3HD1  LEU  13          HD13      LEU  13   2.755  11.723  -1.150
   88   1HD2  LEU  13          HD23      LEU  13  -0.820  11.365  -0.555
   89   2HD2  LEU  13          HD22      LEU  13  -0.808   9.867   0.347
   90   3HD2  LEU  13          HD21      LEU  13  -0.191  11.332   1.077
   91    OH   TYR  14           OH       TYR  14   6.072   6.097  -1.660
   92    H    TYR  14           HN       TYR  14   1.913   8.164  -3.532
   93    HA   TYR  14           HA       TYR  14   0.278   7.660  -5.761
   94   1HB   TYR  14           HB2      TYR  14   2.496   6.390  -6.626
   95   2HB   TYR  14           HB1      TYR  14   2.613   8.102  -6.251
   96    HD1  TYR  14           HD1      TYR  14   3.235   4.687  -4.918
   97    HD2  TYR  14           HD2      TYR  14   3.833   8.864  -4.376
   98    HE1  TYR  14           HE1      TYR  14   4.802   4.233  -3.113
   99    HE2  TYR  14           HE2      TYR  14   5.407   8.394  -2.551
  100    HH   TYR  14           HH       TYR  14   6.879   5.640  -1.957
  101    H    GLN  15           HN       GLN  15   1.499   5.442  -3.480
  102    HA   GLN  15           HA       GLN  15   0.575   2.899  -4.544
  103   1HB   GLN  15           HB2      GLN  15   2.092   2.407  -3.153
  104   2HB   GLN  15           HB1      GLN  15   2.053   3.941  -2.362
  105   1HG   GLN  15           HG2      GLN  15   1.485   2.175  -0.807
  106   2HG   GLN  15           HG1      GLN  15   0.105   3.210  -1.051
  107   1HE2  GLN  15          HE22      GLN  15  -1.888   0.583  -1.954
  108   2HE2  GLN  15          HE21      GLN  15  -1.772   2.267  -1.731
  109    H    LEU  16           HN       LEU  16  -0.662   4.727  -1.834
  110    HA   LEU  16           HA       LEU  16  -3.059   3.463  -1.365
  111   1HB   LEU  16           HB2      LEU  16  -2.794   6.503  -1.356
  112   2HB   LEU  16           HB1      LEU  16  -4.004   5.582  -0.502
  113    HG   LEU  16           HG       LEU  16  -1.098   4.951  -0.065
  114   1HD1  LEU  16          HD11      LEU  16  -1.525   7.415   0.469
  115   2HD1  LEU  16          HD13      LEU  16  -2.869   6.934   1.469
  116   3HD1  LEU  16          HD12      LEU  16  -1.237   6.499   1.938
  117   1HD2  LEU  16          HD23      LEU  16  -3.589   4.642   1.622
  118   2HD2  LEU  16          HD22      LEU  16  -2.746   3.354   0.786
  119   3HD2  LEU  16          HD21      LEU  16  -1.979   4.218   2.101
  120    H    GLU  17           HN       GLU  17  -2.479   6.013  -3.500
  121    HA   GLU  17           HA       GLU  17  -4.861   6.356  -4.823
  122   1HB   GLU  17           HB2      GLU  17  -1.926   7.062  -5.143
  123   2HB   GLU  17           HB1      GLU  17  -2.919   7.444  -6.516
  124   1HG   GLU  17           HG2      GLU  17  -3.703   8.418  -3.742
  125   2HG   GLU  17           HG1      GLU  17  -2.579   9.319  -4.738
  126    H    ASN  18           HN       ASN  18  -2.112   5.289  -6.591
  127    HA   ASN  18           HA       ASN  18  -3.667   4.258  -8.803
  128   1HB   ASN  18           HB2      ASN  18  -0.721   3.963  -8.126
  129   2HB   ASN  18           HB1      ASN  18  -1.440   3.607  -9.685
  130   1HD2  ASN  18          HD21      ASN  18  -3.024   6.363  -8.378
  131   2HD2  ASN  18          HD22      ASN  18  -2.027   7.480  -9.177
  132    OH   TYR  19           OH       TYR  19   3.396   1.178  -6.078
  133    H    TYR  19           HN       TYR  19  -2.842   2.776  -5.835
  134    HA   TYR  19           HA       TYR  19  -3.142   0.021  -6.937
  135   1HB   TYR  19           HB2      TYR  19  -2.361   0.869  -4.132
  136   2HB   TYR  19           HB1      TYR  19  -2.247  -0.726  -4.815
  137    HD1  TYR  19           HD2      TYR  19  -0.902   2.064  -6.975
  138    HD2  TYR  19           HD1      TYR  19  -0.035  -0.788  -3.956
  139    HE1  TYR  19           HE2      TYR  19   1.460   2.384  -7.347
  140    HE2  TYR  19           HE1      TYR  19   2.317  -0.466  -4.346
  141    HH   TYR  19           HH       TYR  19   3.795   0.965  -5.230
  142    H    CYS  20           HN       CYS  20  -4.399   2.275  -4.564
  143    HA   CYS  20           HA       CYS  20  -6.128   2.103  -3.058
  144   1HB   CYS  20           HB2      CYS  20  -6.494   3.373  -5.116
  145   2HB   CYS  20           HB1      CYS  20  -7.222   2.014  -5.891
  146    H    ASN  21           HN       ASN  21  -8.850   1.230  -3.698
  147    HA   ASN  21           HA       ASN  21 -10.329  -0.009  -2.847
  148   1HB   ASN  21           HB2      ASN  21  -9.995  -2.216  -4.358
  149   2HB   ASN  21           HB1      ASN  21 -10.450  -0.705  -5.047
  150   1HD2  ASN  21          HD22      ASN  21  -7.225  -0.413  -6.472
  151   2HD2  ASN  21          HD21      ASN  21  -8.503   0.549  -5.861
  152   1H    PHE   1           HT1      PHE   1   4.786   8.252   2.890
  153   2H    PHE   1           HT3      PHE   1   3.502   8.827   3.742
  154   3H    PHE   1           HT2      PHE   1   3.786   9.383   2.184
  155    HA   PHE   1           HA       PHE   1   5.201  10.998   2.913
  156   1HB   PHE   1           HB2      PHE   1   5.321  11.114   5.647
  157   2HB   PHE   1           HB1      PHE   1   3.862  11.573   4.817
  158    HD1  PHE   1           HD1      PHE   1   1.968   9.916   4.609
  159    HD2  PHE   1           HD2      PHE   1   5.320   9.191   7.163
  160    HE1  PHE   1           HE1      PHE   1   0.710   8.191   5.802
  161    HE2  PHE   1           HE2      PHE   1   4.051   7.480   8.329
  162    HZ   PHE   1           HZ       PHE   1   1.746   6.971   7.663
  163    H    VAL   2           HN       VAL   2   6.227   8.978   5.667
  164    HA   VAL   2           HA       VAL   2   8.837   8.449   4.289
  165    HB   VAL   2           HB       VAL   2   8.825  10.435   5.565
  166   1HG1  VAL   2          HG11      VAL   2   8.278   8.727   8.040
  167   2HG1  VAL   2          HG13      VAL   2   8.815  10.389   8.109
  168   3HG1  VAL   2          HG12      VAL   2   7.256  10.019   7.423
  169   1HG2  VAL   2          HG22      VAL   2  10.961   9.207   5.399
  170   2HG2  VAL   2          HG21      VAL   2  10.896   9.924   6.994
  171   3HG2  VAL   2          HG23      VAL   2  10.547   8.221   6.789
  172    H    ASN   3           HN       ASN   3   7.042   6.950   4.254
  173    HA   ASN   3           HA       ASN   3   6.693   5.022   6.276
  174   1HB   ASN   3           HB2      ASN   3   6.096   4.913   3.320
  175   2HB   ASN   3           HB1      ASN   3   5.365   3.806   4.465
  176   1HD2  ASN   3          HD22      ASN   3   3.019   6.214   5.520
  177   2HD2  ASN   3          HD21      ASN   3   3.570   4.629   5.740
  178    H    GLN   4           HN       GLN   4   8.270   3.784   6.939
  179    HA   GLN   4           HA       GLN   4  10.501   2.821   5.264
  180   1HB   GLN   4           HB2      GLN   4   9.872   2.238   8.195
  181   2HB   GLN   4           HB1      GLN   4  11.438   2.182   7.410
  182   1HG   GLN   4           HG2      GLN   4  11.133   4.681   6.803
  183   2HG   GLN   4           HG1      GLN   4   9.727   4.695   7.835
  184   1HE2  GLN   4          HE22      GLN   4  11.714   5.370  10.597
  185   2HE2  GLN   4          HE21      GLN   4  10.225   5.623   9.795
  186    H    HIS   5           HN       HIS   5   8.852   1.926   4.040
  187    HA   HIS   5           HA       HIS   5   8.119   0.112   2.841
  188   1HB   HIS   5           HB2      HIS   5   9.079  -1.775   4.941
  189   2HB   HIS   5           HB1      HIS   5   8.865  -1.990   3.190
  190    HD1  HIS   5           HD1      HIS   5  10.444  -0.565   1.737
  191    HD2  HIS   5           HD2      HIS   5  11.357  -0.786   5.614
  192    HE1  HIS   5           HE1      HIS   5  12.775   0.186   1.858
  193    H    LEU   6           HN       LEU   6   6.208  -1.490   2.970
  194    HA   LEU   6           HA       LEU   6   4.680  -1.124   5.551
  195   1HB   LEU   6           HB2      LEU   6   3.532  -0.921   2.768
  196   2HB   LEU   6           HB1      LEU   6   2.761  -0.555   4.308
  197    HG   LEU   6           HG       LEU   6   4.798   1.146   4.590
  198   1HD1  LEU   6          HD12      LEU   6   5.895   0.492   2.365
  199   2HD1  LEU   6          HD11      LEU   6   4.406   0.948   1.588
  200   3HD1  LEU   6          HD13      LEU   6   5.387   2.157   2.404
  201   1HD2  LEU   6          HD23      LEU   6   2.427   1.618   2.786
  202   2HD2  LEU   6          HD22      LEU   6   2.434   1.712   4.548
  203   3HD2  LEU   6          HD21      LEU   6   3.374   2.858   3.599
  204    H    CYS   7           HN       CYS   7   4.957  -3.183   2.866
  205    HA   CYS   7           HA       CYS   7   3.966  -5.318   2.335
  206   1HB   CYS   7           HB2      CYS   7   6.334  -5.359   3.437
  207   2HB   CYS   7           HB1      CYS   7   5.525  -6.155   4.759
  208    H    GLY   8           HN       GLY   8   3.720  -5.329   5.859
  209   1HA   GLY   8           HA2      GLY   8   1.300  -7.115   5.643
  210   2HA   GLY   8           HA1      GLY   8   2.221  -6.864   7.127
  211    H    SER   9           HN       SER   9   0.686  -6.024   8.505
  212    HA   SER   9           HA       SER   9  -1.613  -4.611   8.217
  213   1HB   SER   9           HB2      SER   9   0.532  -3.657  10.195
  214   2HB   SER   9           HB1      SER   9  -1.208  -3.426  10.318
  215    HG   SER   9           HG1      SER   9  -1.276  -5.411  11.092
  216    H    HIS  10           HN       HIS  10   1.162  -2.660   8.872
  217    HA   HIS  10           HA       HIS  10   0.537  -0.177   8.242
  218   1HB   HIS  10           HB2      HIS  10   2.918  -1.056   8.727
  219   2HB   HIS  10           HB1      HIS  10   3.064  -1.499   7.032
  220    HD1  HIS  10           HD1      HIS  10   4.992   0.435   6.831
  221    HD2  HIS  10           HD2      HIS  10   1.253   1.770   7.805
  222    HE1  HIS  10           HE1      HIS  10   5.033   2.866   6.533
  223    H    LEU  11           HN       LEU  11   1.412  -2.389   5.702
  224    HA   LEU  11           HA       LEU  11   0.725  -0.572   3.537
  225   1HB   LEU  11           HB2      LEU  11   2.400  -2.586   3.494
  226   2HB   LEU  11           HB1      LEU  11   1.056  -3.628   3.310
  227    HG   LEU  11           HG       LEU  11   1.624  -1.280   1.530
  228   1HD1  LEU  11          HD11      LEU  11   2.282  -4.281   1.216
  229   2HD1  LEU  11          HD13      LEU  11   2.532  -3.090  -0.040
  230   3HD1  LEU  11          HD12      LEU  11   3.483  -3.015   1.427
  231   1HD2  LEU  11          HD23      LEU  11  -0.090  -3.726   1.288
  232   2HD2  LEU  11          HD22      LEU  11  -0.631  -2.070   1.357
  233   3HD2  LEU  11          HD21      LEU  11   0.249  -2.606  -0.036
  234    H    VAL  12           HN       VAL  12  -0.728  -3.653   4.383
  235    HA   VAL  12           HA       VAL  12  -2.892  -3.286   2.587
  236    HB   VAL  12           HB       VAL  12  -4.278  -4.871   4.163
  237   1HG1  VAL  12          HG12      VAL  12  -1.399  -5.751   3.668
  238   2HG1  VAL  12          HG11      VAL  12  -2.738  -6.824   4.051
  239   3HG1  VAL  12          HG13      VAL  12  -2.765  -5.907   2.569
  240   1HG2  VAL  12          HG22      VAL  12  -1.827  -4.738   5.938
  241   2HG2  VAL  12          HG21      VAL  12  -3.418  -4.129   6.374
  242   3HG2  VAL  12          HG23      VAL  12  -3.171  -5.844   6.139
  243    H    GLU  13           HN       GLU  13  -2.731  -2.445   5.933
  244    HA   GLU  13           HA       GLU  13  -5.134  -1.168   6.486
  245   1HB   GLU  13           HB2      GLU  13  -3.090  -1.966   7.812
  246   2HB   GLU  13           HB1      GLU  13  -2.298  -0.475   7.376
  247   1HG   GLU  13           HG2      GLU  13  -4.027   0.753   8.666
  248   2HG   GLU  13           HG1      GLU  13  -4.854  -0.764   8.985
  249    H    ALA  14           HN       ALA  14  -2.112   0.358   5.471
  250    HA   ALA  14           HA       ALA  14  -2.755   2.969   4.950
  251   1HB   ALA  14           HB1      ALA  14  -0.486   1.848   4.364
  252   2HB   ALA  14           HB3      ALA  14  -1.236   1.141   2.965
  253   3HB   ALA  14           HB2      ALA  14  -1.027   2.850   3.048
  254    H    LEU  15           HN       LEU  15  -2.986   0.508   2.459
  255    HA   LEU  15           HA       LEU  15  -4.591   2.020   0.729
  256   1HB   LEU  15           HB2      LEU  15  -4.591  -0.970   1.112
  257   2HB   LEU  15           HB1      LEU  15  -5.521  -0.212  -0.132
  258    HG   LEU  15           HG       LEU  15  -2.959   0.883  -0.270
  259   1HD1  LEU  15          HD13      LEU  15  -2.889  -2.055   0.279
  260   2HD1  LEU  15          HD12      LEU  15  -1.552  -1.115  -0.404
  261   3HD1  LEU  15          HD11      LEU  15  -2.219  -0.728   1.157
  262   1HD2  LEU  15          HD22      LEU  15  -4.447  -1.391  -1.734
  263   2HD2  LEU  15          HD21      LEU  15  -4.641   0.277  -2.108
  264   3HD2  LEU  15          HD23      LEU  15  -3.142  -0.525  -2.514
  265    OH   TYR  16           OH       TYR  16 -11.123  -5.375   5.059
  266    H    TYR  16           HN       TYR  16  -5.655  -0.650   2.482
  267    HA   TYR  16           HA       TYR  16  -8.128  -0.895   2.222
  268   1HB   TYR  16           HB2      TYR  16  -6.427  -1.780   4.027
  269   2HB   TYR  16           HB1      TYR  16  -7.217  -0.675   5.110
  270    HD1  TYR  16           HD2      TYR  16  -9.049  -2.489   2.363
  271    HD2  TYR  16           HD1      TYR  16  -7.947  -2.499   6.490
  272    HE1  TYR  16           HE2      TYR  16 -10.602  -4.210   2.741
  273    HE2  TYR  16           HE1      TYR  16  -9.548  -4.281   6.863
  274    HH   TYR  16           HH       TYR  16 -11.883  -4.950   5.465
  275    H    LEU  17           HN       LEU  17  -6.983   1.480   4.447
  276    HA   LEU  17           HA       LEU  17  -9.570   2.584   4.750
  277   1HB   LEU  17           HB2      LEU  17  -6.764   2.810   5.881
  278   2HB   LEU  17           HB1      LEU  17  -7.822   4.196   6.147
  279    HG   LEU  17           HG       LEU  17  -9.403   2.605   6.627
  280   1HD1  LEU  17          HD12      LEU  17  -7.055   0.769   7.174
  281   2HD1  LEU  17          HD11      LEU  17  -8.603   0.472   7.949
  282   3HD1  LEU  17          HD13      LEU  17  -8.498   0.442   6.208
  283   1HD2  LEU  17          HD22      LEU  17  -8.494   4.088   8.410
  284   2HD2  LEU  17          HD21      LEU  17  -8.643   2.524   9.192
  285   3HD2  LEU  17          HD23      LEU  17  -7.085   3.053   8.589
  286    H    VAL  18           HN       VAL  18  -6.507   3.859   3.445
  287    HA   VAL  18           HA       VAL  18  -7.892   6.256   3.150
  288    HB   VAL  18           HB       VAL  18  -5.470   5.227   1.583
  289   1HG1  VAL  18          HG12      VAL  18  -6.420   8.123   1.869
  290   2HG1  VAL  18          HG11      VAL  18  -4.916   7.646   1.107
  291   3HG1  VAL  18          HG13      VAL  18  -6.441   7.200   0.384
  292   1HG2  VAL  18          HG23      VAL  18  -5.631   7.082   4.011
  293   2HG2  VAL  18          HG22      VAL  18  -5.115   5.403   4.048
  294   3HG2  VAL  18          HG21      VAL  18  -4.144   6.598   3.215
  295    H    CYS  19           HN       CYS  19  -7.427   3.673   1.039
  296    HA   CYS  19           HA       CYS  19  -9.557   4.518  -0.932
  297   1HB   CYS  19           HB2      CYS  19  -6.715   4.416  -1.406
  298   2HB   CYS  19           HB1      CYS  19  -7.384   2.979  -1.998
  299    H    GLY  20           HN       GLY  20  -8.670   2.306   1.173
  300   1HA   GLY  20           HA2      GLY  20  -9.058   0.070  -0.483
  301   2HA   GLY  20           HA1      GLY  20  -9.251  -0.037   1.187
  302    H    GLU  21           HN       GLU  21 -10.999  -0.169   2.068
  303    HA   GLU  21           HA       GLU  21 -13.153  -1.421   1.764
  304   1HB   GLU  21           HB2      GLU  21 -12.756   0.565   3.295
  305   2HB   GLU  21           HB1      GLU  21 -13.446   1.614   2.111
  306   1HG   GLU  21           HG2      GLU  21 -15.646   0.435   2.291
  307   2HG   GLU  21           HG1      GLU  21 -14.953  -0.835   3.279
  308    NH1  ARG  22           NH1      ARG  22 -12.761   4.538  -3.440
  309    NH2  ARG  22           NH2      ARG  22 -10.625   4.254  -3.106
  310    H    ARG  22           HN       ARG  22 -12.304  -1.337  -0.849
  311    HA   ARG  22           HA       ARG  22 -14.816  -1.094  -2.357
  312   1HB   ARG  22           HB2      ARG  22 -12.265   0.403  -3.021
  313   2HB   ARG  22           HB1      ARG  22 -13.451   0.106  -4.256
  314   1HG   ARG  22           HG2      ARG  22 -14.254   2.180  -3.636
  315   2HG   ARG  22           HG1      ARG  22 -15.019   1.322  -2.296
  316   1HD   ARG  22           HD2      ARG  22 -13.889   3.307  -1.466
  317   2HD   ARG  22           HD1      ARG  22 -13.168   1.860  -0.855
  318    HE   ARG  22           HE       ARG  22 -11.326   2.061  -2.450
  319   1HH1  ARG  22          HH11      ARG  22 -13.645   4.115  -3.311
  320   2HH1  ARG  22          HH12      ARG  22 -12.622   5.415  -3.870
  321   1HH2  ARG  22          HH21      ARG  22  -9.926   3.636  -2.753
  322   2HH2  ARG  22          HH22      ARG  22 -10.325   5.111  -3.503
  323    H    GLY  23           HN       GLY  23 -11.339  -1.953  -3.105
  324   1HA   GLY  23           HA2      GLY  23 -12.362  -4.540  -4.224
  325   2HA   GLY  23           HA1      GLY  23 -11.639  -3.413  -5.358
  326    H    PHE  24           HN       PHE  24  -9.944  -3.363  -2.667
  327    HA   PHE  24           HA       PHE  24  -7.613  -3.535  -2.599
  328   1HB   PHE  24           HB2      PHE  24  -9.293  -4.899  -1.061
  329   2HB   PHE  24           HB1      PHE  24  -8.204  -6.213  -1.521
  330    HD1  PHE  24           HD2      PHE  24  -5.753  -4.284  -2.069
  331    HD2  PHE  24           HD1      PHE  24  -8.506  -4.592   1.164
  332    HE1  PHE  24           HE2      PHE  24  -4.137  -3.332  -0.630
  333    HE2  PHE  24           HE1      PHE  24  -6.809  -3.620   2.640
  334    HZ   PHE  24           HZ       PHE  24  -4.656  -2.973   1.662
  335    OH   TYR  25           OH       TYR  25   0.044  -2.657  -2.248
  336    H    TYR  25           HN       TYR  25  -6.274  -3.604  -4.163
  337    HA   TYR  25           HA       TYR  25  -5.658  -5.629  -6.056
  338   1HB   TYR  25           HB2      TYR  25  -3.900  -4.160  -6.707
  339   2HB   TYR  25           HB1      TYR  25  -4.941  -3.073  -5.823
  340    HD1  TYR  25           HD2      TYR  25  -4.385  -3.096  -3.123
  341    HD2  TYR  25           HD1      TYR  25  -1.616  -3.966  -6.219
  342    HE1  TYR  25           HE2      TYR  25  -2.470  -2.559  -1.624
  343    HE2  TYR  25           HE1      TYR  25   0.260  -3.378  -4.646
  344    HH   TYR  25           HH       TYR  25   0.148  -1.698  -2.173
  345    H    THR  26           HN       THR  26  -5.563  -6.698  -3.212
  346    HA   THR  26           HA       THR  26  -4.311  -8.191  -1.828
  347    HB   THR  26           HB       THR  26  -3.900 -10.285  -3.003
  348    HG1  THR  26           HG1      THR  26  -2.927  -8.471  -4.931
  349   1HG2  THR  26          HG21      THR  26  -6.173  -9.354  -3.783
  350   2HG2  THR  26          HG23      THR  26  -5.332  -8.662  -5.153
  351   3HG2  THR  26          HG22      THR  26  -5.369 -10.393  -4.950
  352    HA   PRO  27           HA       PRO  27  -0.448  -5.564  -2.520
  353   1HB   PRO  27           HB2      PRO  27  -0.027  -5.439   0.262
  354   2HB   PRO  27           HB1      PRO  27  -0.806  -4.249  -0.778
  355   1HG   PRO  27           HG2      PRO  27  -2.137  -6.529   0.751
  356   2HG   PRO  27           HG1      PRO  27  -2.602  -4.816   0.735
  357   1HD   PRO  27           HD2      PRO  27  -3.950  -6.429  -0.839
  358   2HD   PRO  27           HD1      PRO  27  -3.282  -4.989  -1.631
  359    H    LYS  28           HN       LYS  28   0.049  -7.736   0.219
  360    HA   LYS  28           HA       LYS  28   2.533  -8.376   0.543
  361   1HB   LYS  28           HB2      LYS  28   2.101 -10.632   0.927
  362   2HB   LYS  28           HB1      LYS  28   0.536  -9.896   1.109
  363   1HG   LYS  28           HG2      LYS  28   1.511 -11.377  -1.401
  364   2HG   LYS  28           HG1      LYS  28   0.487 -12.078  -0.189
  365   1HD   LYS  28           HD2      LYS  28  -1.325 -10.504  -0.635
  366   2HD   LYS  28           HD1      LYS  28  -0.302  -9.569  -1.677
  367   1HE   LYS  28           HE2      LYS  28  -0.516 -12.360  -2.618
  368   2HE   LYS  28           HE1      LYS  28  -2.085 -11.593  -2.506
  369   1HZ   LYS  28           HZ1      LYS  28  -0.192  -9.793  -3.674
  370   2HZ   LYS  28           HZ3      LYS  28  -0.109 -11.199  -4.488
  371   3HZ   LYS  28           HZ2      LYS  28  -1.591 -10.303  -4.343
  372    H    THR  29           HN       THR  29   1.303  -9.444  -2.426
  373    HA   THR  29           HA       THR  29   2.816  -9.069  -4.483
  374    HB   THR  29           HB       THR  29   5.028  -9.675  -3.408
  375    HG1  THR  29           HG1      THR  29   3.783 -11.032  -5.427
  376   1HG2  THR  29          HG22      THR  29   4.194 -11.594  -1.924
  377   2HG2  THR  29          HG21      THR  29   3.969 -12.516  -3.414
  378   3HG2  THR  29          HG23      THR  29   5.575 -11.966  -2.957
   
   
  No H/Q in entry =         378